USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1017 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 19 MET CE :methyl 167:sc= -1.81 (180deg=-2.22) USER MOD Set 1.2: B 68 HIS : no HE2:sc= -1.6 K(o=-3.4,f=-6.8!) USER MOD Set 2.1: B 19 SER OG : rot 178:sc= 0.362 USER MOD Set 2.2: B 57 SER OG : rot 6:sc= 1.18 USER MOD Set 3.1: B 27 LYS NZ :NH3+ -153:sc= 0.413 (180deg=0.145) USER MOD Set 3.2: B 49 GLN : amide:sc= -4.81! K(o=-4.4!,f=-2.6) USER MOD Set 4.1: B 7 THR OG1 : rot 116:sc= 1.03 USER MOD Set 4.2: B 9 THR OG1 : rot 180:sc= 0.759 USER MOD Set 5.1: A 35 ASN : amide:sc=0.000696 X(o=0.95,f=0.94) USER MOD Set 5.2: A 42 THR OG1 : rot 100:sc= 0.951 USER MOD Single : A 6 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.5) USER MOD Single : A 9 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-1.8) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -68:sc= 0.333 USER MOD Single : A 17 MET CE :methyl -137:sc= -1.53 (180deg=-4.56!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0487 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0.417 (180deg=0.402) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -0.601 K(o=-0.6,f=-3.6!) USER MOD Single : A 36 ASN : amide:sc= -0.0602 K(o=-0.06,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -3.94! K(o=-3.9!,f=-0.54) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0289 (180deg=-0.195) USER MOD Single : A 50 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.049) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -136:sc= -0.954 (180deg=-3.7!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 138:sc= 0.331 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 166:sc= -0.0497 (180deg=-0.279) USER MOD Single : B 12 THR OG1 : rot 43:sc= 0.00802 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 39:sc= 0.493 USER MOD Single : B 25 ASN : amide:sc= -0.436 K(o=-0.44,f=-2.5!) USER MOD Single : B 28 SER OG : rot 65:sc= 1.21 USER MOD Single : B 29 LYS NZ :NH3+ -137:sc= -7.17! (180deg=-9.16!) USER MOD Single : B 31 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.19) USER MOD Single : B 33 LYS NZ :NH3+ -165:sc= -0.0384 (180deg=-0.25) USER MOD Single : B 40 GLN : amide:sc= -4.44! K(o=-4.4!,f=-0.34) USER MOD Single : B 41 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.3!) USER MOD Single : B 48 LYS NZ :NH3+ -165:sc= -0.256 (180deg=-0.731) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -140:sc= -0.237 USER MOD Single : B 60 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 141:sc= -3.35! (180deg=-6.04!) USER MOD Single : B 65 SER OG : rot 107:sc= 1.14 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 6 19.422 9.521 -0.421 1.00 0.00 N ATOM 2 CA ASN A 6 18.158 8.818 -0.197 1.00 0.00 C ATOM 3 C ASN A 6 18.395 7.352 0.172 1.00 0.00 C ATOM 4 O ASN A 6 19.316 7.037 0.925 1.00 0.00 O ATOM 5 CB ASN A 6 17.247 8.928 -1.427 1.00 0.00 C ATOM 6 CG ASN A 6 17.851 8.314 -2.675 1.00 0.00 C ATOM 7 OD1 ASN A 6 18.834 8.816 -3.220 1.00 0.00 O ATOM 8 ND2 ASN A 6 17.261 7.217 -3.137 1.00 0.00 N ATOM 0 HA ASN A 6 17.657 9.297 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 6 16.297 8.438 -1.212 1.00 0.00 H new ATOM 0 HB3 ASN A 6 17.028 9.979 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.621 6.758 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.448 6.834 -2.655 1.00 0.00 H new ATOM 15 N ASP A 7 17.563 6.462 -0.365 1.00 0.00 N ATOM 16 CA ASP A 7 17.689 5.034 -0.096 1.00 0.00 C ATOM 17 C ASP A 7 16.707 4.237 -0.953 1.00 0.00 C ATOM 18 O ASP A 7 16.391 4.632 -2.074 1.00 0.00 O ATOM 19 CB ASP A 7 17.448 4.750 1.391 1.00 0.00 C ATOM 20 CG ASP A 7 16.082 5.213 1.862 1.00 0.00 C ATOM 21 OD1 ASP A 7 15.327 5.778 1.044 1.00 0.00 O ATOM 22 OD2 ASP A 7 15.769 5.012 3.055 1.00 0.00 O ATOM 0 H ASP A 7 16.794 6.706 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 7 18.702 4.723 -0.353 1.00 0.00 H new ATOM 0 HB2 ASP A 7 17.547 3.680 1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 7 18.219 5.246 1.981 1.00 0.00 H new ATOM 27 N ASP A 8 16.225 3.116 -0.421 1.00 0.00 N ATOM 28 CA ASP A 8 15.279 2.276 -1.147 1.00 0.00 C ATOM 29 C ASP A 8 13.854 2.796 -0.990 1.00 0.00 C ATOM 30 O ASP A 8 12.900 2.018 -0.959 1.00 0.00 O ATOM 31 CB ASP A 8 15.366 0.830 -0.649 1.00 0.00 C ATOM 32 CG ASP A 8 16.749 0.231 -0.827 1.00 0.00 C ATOM 33 OD1 ASP A 8 17.641 0.936 -1.344 1.00 0.00 O ATOM 34 OD2 ASP A 8 16.938 -0.945 -0.451 1.00 0.00 O ATOM 0 H ASP A 8 16.473 2.771 0.506 1.00 0.00 H new ATOM 0 HA ASP A 8 15.541 2.307 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.093 0.796 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.639 0.221 -1.186 1.00 0.00 H new ATOM 39 N HIS A 9 13.711 4.117 -0.897 1.00 0.00 N ATOM 40 CA HIS A 9 12.397 4.729 -0.752 1.00 0.00 C ATOM 41 C HIS A 9 11.668 4.750 -2.091 1.00 0.00 C ATOM 42 O HIS A 9 10.441 4.832 -2.138 1.00 0.00 O ATOM 43 CB HIS A 9 12.485 6.143 -0.153 1.00 0.00 C ATOM 44 CG HIS A 9 12.853 7.237 -1.115 1.00 0.00 C ATOM 45 ND1 HIS A 9 12.556 8.560 -0.869 1.00 0.00 N ATOM 46 CD2 HIS A 9 13.488 7.217 -2.314 1.00 0.00 C ATOM 47 CE1 HIS A 9 12.983 9.303 -1.871 1.00 0.00 C ATOM 48 NE2 HIS A 9 13.555 8.514 -2.761 1.00 0.00 N ATOM 0 H HIS A 9 14.487 4.779 -0.920 1.00 0.00 H new ATOM 0 HA HIS A 9 11.825 4.119 -0.053 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.522 6.388 0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.219 6.131 0.653 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.870 6.344 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.882 10.375 -1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.978 8.818 -3.638 1.00 0.00 H new ATOM 57 N GLU A 10 12.442 4.696 -3.174 1.00 0.00 N ATOM 58 CA GLU A 10 11.888 4.728 -4.522 1.00 0.00 C ATOM 59 C GLU A 10 10.770 3.705 -4.672 1.00 0.00 C ATOM 60 O GLU A 10 9.741 3.985 -5.286 1.00 0.00 O ATOM 61 CB GLU A 10 12.991 4.454 -5.547 1.00 0.00 C ATOM 62 CG GLU A 10 13.675 3.109 -5.358 1.00 0.00 C ATOM 63 CD GLU A 10 14.776 2.867 -6.372 1.00 0.00 C ATOM 64 OE1 GLU A 10 14.476 2.862 -7.584 1.00 0.00 O ATOM 65 OE2 GLU A 10 15.937 2.680 -5.952 1.00 0.00 O ATOM 0 H GLU A 10 13.459 4.630 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 10 11.472 5.720 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.564 4.498 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.739 5.245 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.094 3.057 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.933 2.314 -5.436 1.00 0.00 H new ATOM 72 N SER A 11 10.962 2.528 -4.085 1.00 0.00 N ATOM 73 CA SER A 11 9.945 1.488 -4.138 1.00 0.00 C ATOM 74 C SER A 11 8.680 1.986 -3.450 1.00 0.00 C ATOM 75 O SER A 11 7.575 1.888 -3.988 1.00 0.00 O ATOM 76 CB SER A 11 10.451 0.211 -3.464 1.00 0.00 C ATOM 77 OG SER A 11 11.601 -0.290 -4.122 1.00 0.00 O ATOM 0 H SER A 11 11.806 2.273 -3.572 1.00 0.00 H new ATOM 0 HA SER A 11 9.722 1.256 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.686 0.416 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.665 -0.544 -3.472 1.00 0.00 H new ATOM 0 HG SER A 11 11.906 -1.105 -3.672 1.00 0.00 H new ATOM 83 N LYS A 12 8.861 2.552 -2.262 1.00 0.00 N ATOM 84 CA LYS A 12 7.750 3.101 -1.499 1.00 0.00 C ATOM 85 C LYS A 12 7.048 4.167 -2.330 1.00 0.00 C ATOM 86 O LYS A 12 5.826 4.322 -2.274 1.00 0.00 O ATOM 87 CB LYS A 12 8.255 3.710 -0.187 1.00 0.00 C ATOM 88 CG LYS A 12 9.312 2.870 0.518 1.00 0.00 C ATOM 89 CD LYS A 12 8.817 1.464 0.818 1.00 0.00 C ATOM 90 CE LYS A 12 9.893 0.633 1.498 1.00 0.00 C ATOM 91 NZ LYS A 12 9.424 -0.748 1.798 1.00 0.00 N ATOM 0 H LYS A 12 9.769 2.642 -1.807 1.00 0.00 H new ATOM 0 HA LYS A 12 7.048 2.301 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.668 4.698 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.409 3.851 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.205 2.815 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.602 3.358 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.936 1.515 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.511 0.978 -0.109 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.774 0.586 0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.198 1.122 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.188 -1.281 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.599 -0.705 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.157 -1.224 0.913 1.00 0.00 H new ATOM 105 N LEU A 13 7.844 4.896 -3.108 1.00 0.00 N ATOM 106 CA LEU A 13 7.334 5.952 -3.969 1.00 0.00 C ATOM 107 C LEU A 13 6.400 5.377 -5.030 1.00 0.00 C ATOM 108 O LEU A 13 5.340 5.941 -5.300 1.00 0.00 O ATOM 109 CB LEU A 13 8.496 6.695 -4.634 1.00 0.00 C ATOM 110 CG LEU A 13 8.099 7.898 -5.492 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.389 8.947 -4.648 1.00 0.00 C ATOM 112 CD2 LEU A 13 9.326 8.494 -6.165 1.00 0.00 C ATOM 0 H LEU A 13 8.855 4.770 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 13 6.768 6.654 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.181 7.034 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.046 5.991 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 13 7.410 7.559 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.115 9.795 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.490 8.514 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.053 9.285 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.029 9.349 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.037 8.818 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.793 7.742 -6.801 1.00 0.00 H new ATOM 124 N SER A 14 6.794 4.250 -5.624 1.00 0.00 N ATOM 125 CA SER A 14 5.971 3.609 -6.643 1.00 0.00 C ATOM 126 C SER A 14 4.621 3.235 -6.052 1.00 0.00 C ATOM 127 O SER A 14 3.571 3.516 -6.640 1.00 0.00 O ATOM 128 CB SER A 14 6.664 2.365 -7.210 1.00 0.00 C ATOM 129 OG SER A 14 6.749 1.335 -6.244 1.00 0.00 O ATOM 0 H SER A 14 7.669 3.768 -5.418 1.00 0.00 H new ATOM 0 HA SER A 14 5.824 4.314 -7.461 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.114 2.005 -8.080 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.665 2.628 -7.552 1.00 0.00 H new ATOM 0 HG SER A 14 7.368 1.603 -5.533 1.00 0.00 H new ATOM 135 N ILE A 15 4.650 2.624 -4.865 1.00 0.00 N ATOM 136 CA ILE A 15 3.416 2.249 -4.189 1.00 0.00 C ATOM 137 C ILE A 15 2.535 3.476 -4.004 1.00 0.00 C ATOM 138 O ILE A 15 1.323 3.407 -4.179 1.00 0.00 O ATOM 139 CB ILE A 15 3.667 1.586 -2.813 1.00 0.00 C ATOM 140 CG1 ILE A 15 4.120 0.132 -2.975 1.00 0.00 C ATOM 141 CG2 ILE A 15 2.411 1.644 -1.955 1.00 0.00 C ATOM 142 CD1 ILE A 15 5.424 -0.033 -3.722 1.00 0.00 C ATOM 0 H ILE A 15 5.504 2.383 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 15 2.918 1.514 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 15 4.463 2.142 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.221 -0.317 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.342 -0.423 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.606 1.173 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.125 2.684 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.601 1.116 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.672 -1.092 -3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.324 0.383 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.218 0.491 -3.189 1.00 0.00 H new ATOM 154 N LEU A 16 3.157 4.604 -3.660 1.00 0.00 N ATOM 155 CA LEU A 16 2.424 5.851 -3.467 1.00 0.00 C ATOM 156 C LEU A 16 1.734 6.279 -4.757 1.00 0.00 C ATOM 157 O LEU A 16 0.588 6.727 -4.738 1.00 0.00 O ATOM 158 CB LEU A 16 3.360 6.965 -2.989 1.00 0.00 C ATOM 159 CG LEU A 16 3.959 6.765 -1.596 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.830 7.954 -1.219 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.860 6.563 -0.564 1.00 0.00 C ATOM 0 H LEU A 16 4.163 4.678 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 16 1.667 5.675 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.175 7.064 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.811 7.907 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 16 4.581 5.870 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.249 7.797 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.639 8.056 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.226 8.862 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.307 6.422 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.212 7.439 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.273 5.682 -0.825 1.00 0.00 H new ATOM 173 N MET A 17 2.437 6.138 -5.879 1.00 0.00 N ATOM 174 CA MET A 17 1.887 6.512 -7.177 1.00 0.00 C ATOM 175 C MET A 17 0.595 5.751 -7.453 1.00 0.00 C ATOM 176 O MET A 17 -0.429 6.347 -7.785 1.00 0.00 O ATOM 177 CB MET A 17 2.899 6.229 -8.290 1.00 0.00 C ATOM 178 CG MET A 17 4.211 6.978 -8.127 1.00 0.00 C ATOM 179 SD MET A 17 5.373 6.627 -9.460 1.00 0.00 S ATOM 180 CE MET A 17 6.766 7.641 -8.972 1.00 0.00 C ATOM 0 H MET A 17 3.387 5.768 -5.914 1.00 0.00 H new ATOM 0 HA MET A 17 1.670 7.580 -7.156 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.103 5.159 -8.320 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.455 6.496 -9.249 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.013 8.049 -8.094 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.664 6.708 -7.173 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.168 8.152 -9.847 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.440 8.379 -8.239 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.539 7.010 -8.533 1.00 0.00 H new ATOM 190 N ASP A 18 0.652 4.431 -7.303 1.00 0.00 N ATOM 191 CA ASP A 18 -0.517 3.586 -7.527 1.00 0.00 C ATOM 192 C ASP A 18 -1.542 3.786 -6.411 1.00 0.00 C ATOM 193 O ASP A 18 -2.750 3.712 -6.636 1.00 0.00 O ATOM 194 CB ASP A 18 -0.101 2.115 -7.605 1.00 0.00 C ATOM 195 CG ASP A 18 -1.247 1.198 -7.996 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.355 1.709 -8.266 1.00 0.00 O ATOM 197 OD2 ASP A 18 -1.033 -0.031 -8.040 1.00 0.00 O ATOM 0 H ASP A 18 1.493 3.924 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.974 3.872 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.706 2.009 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.295 1.803 -6.639 1.00 0.00 H new ATOM 202 N MET A 19 -1.039 4.039 -5.208 1.00 0.00 N ATOM 203 CA MET A 19 -1.883 4.250 -4.037 1.00 0.00 C ATOM 204 C MET A 19 -2.798 5.455 -4.233 1.00 0.00 C ATOM 205 O MET A 19 -3.980 5.410 -3.891 1.00 0.00 O ATOM 206 CB MET A 19 -1.013 4.451 -2.792 1.00 0.00 C ATOM 207 CG MET A 19 -1.797 4.512 -1.494 1.00 0.00 C ATOM 208 SD MET A 19 -2.628 2.961 -1.113 1.00 0.00 S ATOM 209 CE MET A 19 -1.237 1.918 -0.687 1.00 0.00 C ATOM 0 H MET A 19 -0.039 4.104 -5.017 1.00 0.00 H new ATOM 0 HA MET A 19 -2.506 3.366 -3.902 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.291 3.637 -2.730 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.444 5.374 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.122 4.768 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.537 5.310 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.598 1.007 -0.210 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.685 1.661 -1.591 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.580 2.451 0.000 1.00 0.00 H new ATOM 219 N PHE A 20 -2.245 6.532 -4.787 1.00 0.00 N ATOM 220 CA PHE A 20 -3.017 7.747 -5.025 1.00 0.00 C ATOM 221 C PHE A 20 -2.973 8.132 -6.504 1.00 0.00 C ATOM 222 O PHE A 20 -1.997 8.716 -6.973 1.00 0.00 O ATOM 223 CB PHE A 20 -2.475 8.900 -4.176 1.00 0.00 C ATOM 224 CG PHE A 20 -2.207 8.522 -2.748 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.204 8.619 -1.791 1.00 0.00 C ATOM 226 CD2 PHE A 20 -0.952 8.077 -2.361 1.00 0.00 C ATOM 227 CE1 PHE A 20 -2.956 8.276 -0.474 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.699 7.732 -1.047 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.703 7.830 -0.103 1.00 0.00 C ATOM 0 H PHE A 20 -1.269 6.587 -5.078 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.051 7.552 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.552 9.268 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.190 9.723 -4.197 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.186 8.966 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.163 7.999 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.741 8.357 0.263 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.283 7.386 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.508 7.558 0.924 1.00 0.00 H new ATOM 239 N PRO A 21 -4.036 7.803 -7.262 1.00 0.00 N ATOM 240 CA PRO A 21 -4.116 8.111 -8.692 1.00 0.00 C ATOM 241 C PRO A 21 -4.523 9.557 -8.962 1.00 0.00 C ATOM 242 O PRO A 21 -5.436 9.815 -9.747 1.00 0.00 O ATOM 243 CB PRO A 21 -5.197 7.152 -9.184 1.00 0.00 C ATOM 244 CG PRO A 21 -6.107 6.986 -8.016 1.00 0.00 C ATOM 245 CD PRO A 21 -5.243 7.097 -6.785 1.00 0.00 C ATOM 0 HA PRO A 21 -3.154 7.997 -9.191 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.727 7.559 -10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.770 6.198 -9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.883 7.751 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.612 6.020 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -5.745 7.653 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -4.998 6.116 -6.379 1.00 0.00 H new ATOM 253 N ALA A 22 -3.845 10.499 -8.310 1.00 0.00 N ATOM 254 CA ALA A 22 -4.149 11.914 -8.490 1.00 0.00 C ATOM 255 C ALA A 22 -3.071 12.801 -7.877 1.00 0.00 C ATOM 256 O ALA A 22 -2.665 13.800 -8.473 1.00 0.00 O ATOM 257 CB ALA A 22 -5.505 12.241 -7.884 1.00 0.00 C ATOM 0 H ALA A 22 -3.086 10.308 -7.656 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.177 12.115 -9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.721 13.300 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.276 11.646 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.492 12.012 -6.818 1.00 0.00 H new ATOM 263 N ILE A 23 -2.615 12.439 -6.681 1.00 0.00 N ATOM 264 CA ILE A 23 -1.588 13.212 -5.991 1.00 0.00 C ATOM 265 C ILE A 23 -0.312 13.302 -6.822 1.00 0.00 C ATOM 266 O ILE A 23 0.155 12.304 -7.373 1.00 0.00 O ATOM 267 CB ILE A 23 -1.258 12.608 -4.612 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.517 12.564 -3.739 1.00 0.00 C ATOM 269 CG2 ILE A 23 -0.159 13.413 -3.929 1.00 0.00 C ATOM 270 CD1 ILE A 23 -2.290 11.963 -2.368 1.00 0.00 C ATOM 0 H ILE A 23 -2.940 11.617 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.991 14.215 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.899 11.589 -4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.902 13.577 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.286 11.988 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.063 12.974 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.739 13.399 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.492 14.442 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.226 11.966 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.935 10.938 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.545 12.551 -1.832 1.00 0.00 H new ATOM 282 N SER A 24 0.243 14.507 -6.910 1.00 0.00 N ATOM 283 CA SER A 24 1.462 14.740 -7.675 1.00 0.00 C ATOM 284 C SER A 24 2.626 13.924 -7.120 1.00 0.00 C ATOM 285 O SER A 24 2.778 13.788 -5.906 1.00 0.00 O ATOM 286 CB SER A 24 1.818 16.228 -7.667 1.00 0.00 C ATOM 287 OG SER A 24 2.040 16.693 -6.348 1.00 0.00 O ATOM 0 H SER A 24 -0.135 15.340 -6.459 1.00 0.00 H new ATOM 0 HA SER A 24 1.279 14.421 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.711 16.394 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.012 16.800 -8.127 1.00 0.00 H new ATOM 0 HG SER A 24 2.267 17.646 -6.371 1.00 0.00 H new ATOM 293 N LYS A 25 3.443 13.387 -8.021 1.00 0.00 N ATOM 294 CA LYS A 25 4.598 12.584 -7.634 1.00 0.00 C ATOM 295 C LYS A 25 5.524 13.363 -6.703 1.00 0.00 C ATOM 296 O LYS A 25 6.035 12.819 -5.724 1.00 0.00 O ATOM 297 CB LYS A 25 5.367 12.137 -8.878 1.00 0.00 C ATOM 298 CG LYS A 25 6.655 11.393 -8.565 1.00 0.00 C ATOM 299 CD LYS A 25 7.397 11.008 -9.834 1.00 0.00 C ATOM 300 CE LYS A 25 8.736 10.361 -9.520 1.00 0.00 C ATOM 301 NZ LYS A 25 9.473 9.979 -10.757 1.00 0.00 N ATOM 0 H LYS A 25 3.326 13.494 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 25 4.235 11.707 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.724 11.495 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.601 13.012 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.296 12.018 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.428 10.496 -7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.787 10.320 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.555 11.895 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.344 11.051 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.576 9.475 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.381 9.541 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.905 9.301 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.649 10.827 -11.332 1.00 0.00 H new ATOM 315 N SER A 26 5.738 14.637 -7.018 1.00 0.00 N ATOM 316 CA SER A 26 6.606 15.491 -6.214 1.00 0.00 C ATOM 317 C SER A 26 6.135 15.542 -4.764 1.00 0.00 C ATOM 318 O SER A 26 6.937 15.427 -3.838 1.00 0.00 O ATOM 319 CB SER A 26 6.646 16.904 -6.798 1.00 0.00 C ATOM 320 OG SER A 26 7.501 17.745 -6.042 1.00 0.00 O ATOM 0 H SER A 26 5.322 15.101 -7.825 1.00 0.00 H new ATOM 0 HA SER A 26 7.609 15.066 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.991 16.864 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.640 17.323 -6.814 1.00 0.00 H new ATOM 0 HG SER A 26 7.510 18.642 -6.437 1.00 0.00 H new ATOM 326 N LYS A 27 4.830 15.715 -4.576 1.00 0.00 N ATOM 327 CA LYS A 27 4.248 15.783 -3.238 1.00 0.00 C ATOM 328 C LYS A 27 4.522 14.500 -2.458 1.00 0.00 C ATOM 329 O LYS A 27 5.000 14.544 -1.324 1.00 0.00 O ATOM 330 CB LYS A 27 2.742 16.027 -3.334 1.00 0.00 C ATOM 331 CG LYS A 27 2.055 16.166 -1.986 1.00 0.00 C ATOM 332 CD LYS A 27 0.571 16.451 -2.155 1.00 0.00 C ATOM 333 CE LYS A 27 -0.118 16.652 -0.816 1.00 0.00 C ATOM 334 NZ LYS A 27 -1.570 16.935 -0.976 1.00 0.00 N ATOM 0 H LYS A 27 4.154 15.811 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 27 4.712 16.613 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.567 16.932 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.284 15.203 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.189 15.251 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.521 16.971 -1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.439 17.341 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.100 15.624 -2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.013 15.760 -0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.356 17.477 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.023 16.965 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.695 17.852 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.009 16.186 -1.549 1.00 0.00 H new ATOM 348 N LEU A 28 4.225 13.362 -3.077 1.00 0.00 N ATOM 349 CA LEU A 28 4.447 12.067 -2.443 1.00 0.00 C ATOM 350 C LEU A 28 5.910 11.914 -2.037 1.00 0.00 C ATOM 351 O LEU A 28 6.218 11.382 -0.971 1.00 0.00 O ATOM 352 CB LEU A 28 4.036 10.936 -3.390 1.00 0.00 C ATOM 353 CG LEU A 28 2.535 10.857 -3.696 1.00 0.00 C ATOM 354 CD1 LEU A 28 2.260 9.814 -4.767 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.750 10.539 -2.432 1.00 0.00 C ATOM 0 H LEU A 28 3.830 13.310 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 28 3.833 12.011 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.577 11.055 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.353 9.987 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 28 2.211 11.828 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.190 9.774 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.792 10.081 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.601 8.838 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.687 10.487 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.080 9.581 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.920 11.321 -1.692 1.00 0.00 H new ATOM 367 N GLN A 29 6.805 12.395 -2.895 1.00 0.00 N ATOM 368 CA GLN A 29 8.238 12.328 -2.632 1.00 0.00 C ATOM 369 C GLN A 29 8.601 13.163 -1.406 1.00 0.00 C ATOM 370 O GLN A 29 9.401 12.742 -0.572 1.00 0.00 O ATOM 371 CB GLN A 29 9.019 12.823 -3.852 1.00 0.00 C ATOM 372 CG GLN A 29 10.528 12.753 -3.683 1.00 0.00 C ATOM 373 CD GLN A 29 11.271 13.221 -4.918 1.00 0.00 C ATOM 374 OE1 GLN A 29 11.120 12.655 -6.001 1.00 0.00 O ATOM 375 NE2 GLN A 29 12.082 14.261 -4.763 1.00 0.00 N ATOM 0 H GLN A 29 6.561 12.837 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 29 8.504 11.290 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.732 12.230 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.733 13.854 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.824 13.365 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.818 11.727 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.178 14.701 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.609 14.620 -5.559 1.00 0.00 H new ATOM 384 N VAL A 30 8.006 14.349 -1.309 1.00 0.00 N ATOM 385 CA VAL A 30 8.262 15.249 -0.189 1.00 0.00 C ATOM 386 C VAL A 30 7.895 14.597 1.142 1.00 0.00 C ATOM 387 O VAL A 30 8.696 14.584 2.079 1.00 0.00 O ATOM 388 CB VAL A 30 7.474 16.565 -0.341 1.00 0.00 C ATOM 389 CG1 VAL A 30 7.694 17.473 0.859 1.00 0.00 C ATOM 390 CG2 VAL A 30 7.865 17.273 -1.629 1.00 0.00 C ATOM 0 H VAL A 30 7.342 14.709 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 30 9.330 15.468 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 30 6.412 16.322 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.127 18.395 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.358 16.967 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.755 17.709 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.299 18.200 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.931 17.499 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.645 16.628 -2.480 1.00 0.00 H new ATOM 400 N HIS A 31 6.683 14.054 1.218 1.00 0.00 N ATOM 401 CA HIS A 31 6.215 13.399 2.435 1.00 0.00 C ATOM 402 C HIS A 31 7.110 12.217 2.791 1.00 0.00 C ATOM 403 O HIS A 31 7.463 12.016 3.953 1.00 0.00 O ATOM 404 CB HIS A 31 4.776 12.914 2.261 1.00 0.00 C ATOM 405 CG HIS A 31 3.799 14.011 1.977 1.00 0.00 C ATOM 406 ND1 HIS A 31 3.586 15.070 2.833 1.00 0.00 N ATOM 407 CD2 HIS A 31 2.969 14.205 0.925 1.00 0.00 C ATOM 408 CE1 HIS A 31 2.666 15.868 2.322 1.00 0.00 C ATOM 409 NE2 HIS A 31 2.278 15.367 1.165 1.00 0.00 N ATOM 0 H HIS A 31 6.009 14.055 0.453 1.00 0.00 H new ATOM 0 HA HIS A 31 6.253 14.128 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.742 12.190 1.447 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.467 12.390 3.166 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.064 15.215 3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.869 13.566 0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.295 16.776 2.774 1.00 0.00 H new ATOM 418 N LEU A 32 7.464 11.438 1.778 1.00 0.00 N ATOM 419 CA LEU A 32 8.311 10.266 1.964 1.00 0.00 C ATOM 420 C LEU A 32 9.667 10.656 2.548 1.00 0.00 C ATOM 421 O LEU A 32 10.195 9.971 3.424 1.00 0.00 O ATOM 422 CB LEU A 32 8.499 9.541 0.629 1.00 0.00 C ATOM 423 CG LEU A 32 9.233 8.202 0.710 1.00 0.00 C ATOM 424 CD1 LEU A 32 8.474 7.230 1.602 1.00 0.00 C ATOM 425 CD2 LEU A 32 9.416 7.612 -0.678 1.00 0.00 C ATOM 0 H LEU A 32 7.176 11.597 0.813 1.00 0.00 H new ATOM 0 HA LEU A 32 7.820 9.596 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.518 9.373 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.047 10.197 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 32 10.217 8.375 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.011 6.283 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.389 7.648 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.478 7.063 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.940 6.659 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.440 7.454 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.999 8.299 -1.291 1.00 0.00 H new ATOM 437 N LEU A 33 10.226 11.757 2.053 1.00 0.00 N ATOM 438 CA LEU A 33 11.524 12.237 2.523 1.00 0.00 C ATOM 439 C LEU A 33 11.466 12.667 3.986 1.00 0.00 C ATOM 440 O LEU A 33 12.345 12.320 4.776 1.00 0.00 O ATOM 441 CB LEU A 33 12.003 13.408 1.662 1.00 0.00 C ATOM 442 CG LEU A 33 12.321 13.065 0.205 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.684 14.324 -0.570 1.00 0.00 C ATOM 444 CD2 LEU A 33 13.454 12.051 0.132 1.00 0.00 C ATOM 0 H LEU A 33 9.801 12.334 1.327 1.00 0.00 H new ATOM 0 HA LEU A 33 12.229 11.410 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.238 14.184 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.896 13.833 2.121 1.00 0.00 H new ATOM 0 HG LEU A 33 11.433 12.624 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.907 14.063 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.846 15.021 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.558 14.791 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.667 11.818 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.346 12.467 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.161 11.140 0.654 1.00 0.00 H new ATOM 456 N GLU A 34 10.439 13.434 4.339 1.00 0.00 N ATOM 457 CA GLU A 34 10.284 13.919 5.707 1.00 0.00 C ATOM 458 C GLU A 34 10.166 12.766 6.701 1.00 0.00 C ATOM 459 O GLU A 34 10.915 12.697 7.675 1.00 0.00 O ATOM 460 CB GLU A 34 9.059 14.829 5.814 1.00 0.00 C ATOM 461 CG GLU A 34 9.146 16.069 4.939 1.00 0.00 C ATOM 462 CD GLU A 34 7.925 16.960 5.064 1.00 0.00 C ATOM 463 OE1 GLU A 34 7.004 16.605 5.831 1.00 0.00 O ATOM 464 OE2 GLU A 34 7.889 18.015 4.395 1.00 0.00 O ATOM 0 H GLU A 34 9.703 13.733 3.699 1.00 0.00 H new ATOM 0 HA GLU A 34 11.178 14.490 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.170 14.262 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.933 15.135 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.035 16.638 5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.265 15.767 3.899 1.00 0.00 H new ATOM 471 N ASN A 35 9.220 11.866 6.452 1.00 0.00 N ATOM 472 CA ASN A 35 9.007 10.721 7.333 1.00 0.00 C ATOM 473 C ASN A 35 9.980 9.587 7.014 1.00 0.00 C ATOM 474 O ASN A 35 9.624 8.415 7.111 1.00 0.00 O ATOM 475 CB ASN A 35 7.565 10.226 7.211 1.00 0.00 C ATOM 476 CG ASN A 35 6.555 11.277 7.626 1.00 0.00 C ATOM 477 OD1 ASN A 35 6.558 11.741 8.767 1.00 0.00 O ATOM 478 ND2 ASN A 35 5.684 11.661 6.701 1.00 0.00 N ATOM 0 H ASN A 35 8.590 11.906 5.651 1.00 0.00 H new ATOM 0 HA ASN A 35 9.191 11.045 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.372 9.928 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.435 9.338 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.982 12.367 6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.717 11.251 5.768 1.00 0.00 H new ATOM 485 N ASN A 36 11.207 9.952 6.643 1.00 0.00 N ATOM 486 CA ASN A 36 12.252 8.985 6.308 1.00 0.00 C ATOM 487 C ASN A 36 11.874 8.155 5.085 1.00 0.00 C ATOM 488 O ASN A 36 12.428 8.345 4.001 1.00 0.00 O ATOM 489 CB ASN A 36 12.533 8.064 7.499 1.00 0.00 C ATOM 490 CG ASN A 36 13.034 8.823 8.711 1.00 0.00 C ATOM 491 OD1 ASN A 36 12.339 9.689 9.246 1.00 0.00 O ATOM 492 ND2 ASN A 36 14.246 8.505 9.151 1.00 0.00 N ATOM 0 H ASN A 36 11.504 10.925 6.566 1.00 0.00 H new ATOM 0 HA ASN A 36 13.155 9.547 6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.622 7.526 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.272 7.317 7.210 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.636 8.984 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.787 7.781 8.677 1.00 0.00 H new ATOM 499 N ASN A 37 10.926 7.239 5.265 1.00 0.00 N ATOM 500 CA ASN A 37 10.469 6.378 4.177 1.00 0.00 C ATOM 501 C ASN A 37 9.359 5.434 4.640 1.00 0.00 C ATOM 502 O ASN A 37 9.265 4.298 4.174 1.00 0.00 O ATOM 503 CB ASN A 37 11.639 5.565 3.612 1.00 0.00 C ATOM 504 CG ASN A 37 12.327 4.694 4.655 1.00 0.00 C ATOM 505 OD1 ASN A 37 13.285 3.986 4.345 1.00 0.00 O ATOM 506 ND2 ASN A 37 11.849 4.737 5.896 1.00 0.00 N ATOM 0 H ASN A 37 10.458 7.073 6.156 1.00 0.00 H new ATOM 0 HA ASN A 37 10.066 7.021 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.275 4.932 2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 37 12.371 6.247 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.278 4.171 6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.053 5.336 6.116 1.00 0.00 H new ATOM 513 N ASP A 38 8.514 5.908 5.554 1.00 0.00 N ATOM 514 CA ASP A 38 7.413 5.096 6.064 1.00 0.00 C ATOM 515 C ASP A 38 6.147 5.301 5.234 1.00 0.00 C ATOM 516 O ASP A 38 5.779 6.430 4.907 1.00 0.00 O ATOM 517 CB ASP A 38 7.144 5.415 7.540 1.00 0.00 C ATOM 518 CG ASP A 38 6.925 6.893 7.799 1.00 0.00 C ATOM 519 OD1 ASP A 38 5.985 7.470 7.212 1.00 0.00 O ATOM 520 OD2 ASP A 38 7.689 7.472 8.598 1.00 0.00 O ATOM 0 H ASP A 38 8.571 6.845 5.954 1.00 0.00 H new ATOM 0 HA ASP A 38 7.704 4.049 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.266 4.860 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.985 5.068 8.140 1.00 0.00 H new ATOM 525 N LEU A 39 5.488 4.197 4.888 1.00 0.00 N ATOM 526 CA LEU A 39 4.266 4.251 4.092 1.00 0.00 C ATOM 527 C LEU A 39 3.025 4.301 4.978 1.00 0.00 C ATOM 528 O LEU A 39 2.089 5.048 4.704 1.00 0.00 O ATOM 529 CB LEU A 39 4.184 3.045 3.153 1.00 0.00 C ATOM 530 CG LEU A 39 5.238 3.009 2.043 1.00 0.00 C ATOM 531 CD1 LEU A 39 5.119 1.725 1.237 1.00 0.00 C ATOM 532 CD2 LEU A 39 5.093 4.224 1.135 1.00 0.00 C ATOM 0 H LEU A 39 5.781 3.255 5.147 1.00 0.00 H new ATOM 0 HA LEU A 39 4.300 5.166 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.274 2.136 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.196 3.029 2.694 1.00 0.00 H new ATOM 0 HG LEU A 39 6.226 3.036 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.876 1.716 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.268 0.868 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.128 1.669 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.849 4.184 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.101 4.224 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.225 5.134 1.721 1.00 0.00 H new ATOM 544 N ASP A 40 3.014 3.493 6.032 1.00 0.00 N ATOM 545 CA ASP A 40 1.875 3.439 6.943 1.00 0.00 C ATOM 546 C ASP A 40 1.554 4.813 7.533 1.00 0.00 C ATOM 547 O ASP A 40 0.396 5.232 7.551 1.00 0.00 O ATOM 548 CB ASP A 40 2.144 2.442 8.071 1.00 0.00 C ATOM 549 CG ASP A 40 0.981 2.338 9.038 1.00 0.00 C ATOM 550 OD1 ASP A 40 -0.126 1.965 8.598 1.00 0.00 O ATOM 551 OD2 ASP A 40 1.178 2.632 10.237 1.00 0.00 O ATOM 0 H ASP A 40 3.780 2.866 6.277 1.00 0.00 H new ATOM 0 HA ASP A 40 1.011 3.111 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.347 1.460 7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.039 2.745 8.614 1.00 0.00 H new ATOM 556 N LEU A 41 2.577 5.505 8.024 1.00 0.00 N ATOM 557 CA LEU A 41 2.391 6.824 8.624 1.00 0.00 C ATOM 558 C LEU A 41 2.023 7.876 7.578 1.00 0.00 C ATOM 559 O LEU A 41 1.011 8.568 7.711 1.00 0.00 O ATOM 560 CB LEU A 41 3.661 7.249 9.365 1.00 0.00 C ATOM 561 CG LEU A 41 3.612 8.643 9.999 1.00 0.00 C ATOM 562 CD1 LEU A 41 2.503 8.724 11.037 1.00 0.00 C ATOM 563 CD2 LEU A 41 4.955 8.989 10.624 1.00 0.00 C ATOM 0 H LEU A 41 3.543 5.176 8.019 1.00 0.00 H new ATOM 0 HA LEU A 41 1.564 6.751 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.867 6.519 10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.498 7.214 8.668 1.00 0.00 H new ATOM 0 HG LEU A 41 3.398 9.369 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.486 9.722 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.544 8.520 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.683 7.988 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.904 9.982 11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.197 8.257 11.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.728 8.976 9.856 1.00 0.00 H new ATOM 575 N THR A 42 2.852 7.998 6.546 1.00 0.00 N ATOM 576 CA THR A 42 2.618 8.974 5.488 1.00 0.00 C ATOM 577 C THR A 42 1.248 8.783 4.848 1.00 0.00 C ATOM 578 O THR A 42 0.428 9.703 4.824 1.00 0.00 O ATOM 579 CB THR A 42 3.701 8.883 4.396 1.00 0.00 C ATOM 580 OG1 THR A 42 4.993 9.118 4.967 1.00 0.00 O ATOM 581 CG2 THR A 42 3.444 9.892 3.286 1.00 0.00 C ATOM 0 H THR A 42 3.692 7.433 6.420 1.00 0.00 H new ATOM 0 HA THR A 42 2.659 9.959 5.953 1.00 0.00 H new ATOM 0 HB THR A 42 3.667 7.881 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.443 8.261 5.121 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.223 9.806 2.529 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.473 9.694 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.451 10.900 3.701 1.00 0.00 H new ATOM 589 N ILE A 43 1.002 7.583 4.335 1.00 0.00 N ATOM 590 CA ILE A 43 -0.270 7.276 3.697 1.00 0.00 C ATOM 591 C ILE A 43 -1.425 7.434 4.678 1.00 0.00 C ATOM 592 O ILE A 43 -2.474 7.971 4.325 1.00 0.00 O ATOM 593 CB ILE A 43 -0.291 5.850 3.119 1.00 0.00 C ATOM 594 CG1 ILE A 43 0.787 5.691 2.042 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.664 5.538 2.548 1.00 0.00 C ATOM 596 CD1 ILE A 43 0.833 4.307 1.428 1.00 0.00 C ATOM 0 H ILE A 43 1.666 6.809 4.349 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.388 7.986 2.878 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.078 5.145 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.612 6.423 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.760 5.918 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.668 4.527 2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.412 5.615 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.898 6.248 1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.620 4.269 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.039 3.571 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.127 4.084 0.962 1.00 0.00 H new ATOM 608 N GLY A 44 -1.228 6.968 5.910 1.00 0.00 N ATOM 609 CA GLY A 44 -2.268 7.076 6.917 1.00 0.00 C ATOM 610 C GLY A 44 -2.796 8.491 7.035 1.00 0.00 C ATOM 611 O GLY A 44 -4.007 8.711 7.065 1.00 0.00 O ATOM 0 H GLY A 44 -0.369 6.519 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.088 6.403 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.875 6.754 7.881 1.00 0.00 H new ATOM 615 N LEU A 45 -1.880 9.451 7.086 1.00 0.00 N ATOM 616 CA LEU A 45 -2.248 10.858 7.183 1.00 0.00 C ATOM 617 C LEU A 45 -2.912 11.330 5.892 1.00 0.00 C ATOM 618 O LEU A 45 -3.858 12.117 5.917 1.00 0.00 O ATOM 619 CB LEU A 45 -1.009 11.708 7.482 1.00 0.00 C ATOM 620 CG LEU A 45 -1.257 13.215 7.588 1.00 0.00 C ATOM 621 CD1 LEU A 45 -2.219 13.522 8.726 1.00 0.00 C ATOM 622 CD2 LEU A 45 0.058 13.955 7.784 1.00 0.00 C ATOM 0 H LEU A 45 -0.875 9.280 7.062 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.961 10.973 7.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.569 11.363 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.271 11.532 6.699 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.711 13.556 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.382 14.598 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.170 13.020 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.796 13.168 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.134 15.025 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.537 13.609 8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.714 13.762 6.935 1.00 0.00 H new ATOM 634 N LEU A 46 -2.399 10.845 4.763 1.00 0.00 N ATOM 635 CA LEU A 46 -2.927 11.213 3.451 1.00 0.00 C ATOM 636 C LEU A 46 -4.386 10.786 3.284 1.00 0.00 C ATOM 637 O LEU A 46 -5.199 11.538 2.742 1.00 0.00 O ATOM 638 CB LEU A 46 -2.068 10.592 2.349 1.00 0.00 C ATOM 639 CG LEU A 46 -0.627 11.108 2.282 1.00 0.00 C ATOM 640 CD1 LEU A 46 0.168 10.346 1.235 1.00 0.00 C ATOM 641 CD2 LEU A 46 -0.609 12.599 1.978 1.00 0.00 C ATOM 0 H LEU A 46 -1.615 10.193 4.731 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.891 12.300 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.045 9.512 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.549 10.775 1.388 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.161 10.945 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.188 10.728 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.185 9.287 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.298 10.476 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.422 12.949 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.095 12.781 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.141 13.137 2.763 1.00 0.00 H new ATOM 653 N LEU A 47 -4.714 9.581 3.747 1.00 0.00 N ATOM 654 CA LEU A 47 -6.078 9.067 3.641 1.00 0.00 C ATOM 655 C LEU A 47 -7.072 10.049 4.252 1.00 0.00 C ATOM 656 O LEU A 47 -8.138 10.301 3.691 1.00 0.00 O ATOM 657 CB LEU A 47 -6.202 7.716 4.345 1.00 0.00 C ATOM 658 CG LEU A 47 -5.248 6.625 3.850 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.465 5.336 4.628 1.00 0.00 C ATOM 660 CD2 LEU A 47 -5.430 6.385 2.357 1.00 0.00 C ATOM 0 H LEU A 47 -4.057 8.945 4.198 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.305 8.940 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.034 7.865 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.225 7.359 4.231 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.225 6.963 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.779 4.571 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.280 5.515 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.492 4.997 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.742 5.606 2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.455 6.071 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.223 7.306 1.812 1.00 0.00 H new ATOM 672 N LYS A 48 -6.710 10.594 5.411 1.00 0.00 N ATOM 673 CA LYS A 48 -7.554 11.545 6.117 1.00 0.00 C ATOM 674 C LYS A 48 -7.713 12.842 5.326 1.00 0.00 C ATOM 675 O LYS A 48 -8.755 13.493 5.387 1.00 0.00 O ATOM 676 CB LYS A 48 -6.965 11.836 7.500 1.00 0.00 C ATOM 677 CG LYS A 48 -7.785 12.821 8.311 1.00 0.00 C ATOM 678 CD LYS A 48 -7.170 13.073 9.679 1.00 0.00 C ATOM 679 CE LYS A 48 -8.019 14.025 10.508 1.00 0.00 C ATOM 680 NZ LYS A 48 -8.197 15.343 9.836 1.00 0.00 N ATOM 0 H LYS A 48 -5.829 10.388 5.882 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.543 11.102 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.881 10.901 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.955 12.228 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.863 13.763 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.798 12.438 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.060 12.127 10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.170 13.488 9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.995 13.576 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.551 14.174 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.601 16.024 10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.275 15.690 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.839 15.235 9.025 1.00 0.00 H new ATOM 694 N GLU A 49 -6.673 13.217 4.592 1.00 0.00 N ATOM 695 CA GLU A 49 -6.705 14.440 3.799 1.00 0.00 C ATOM 696 C GLU A 49 -7.777 14.367 2.713 1.00 0.00 C ATOM 697 O GLU A 49 -8.538 15.315 2.516 1.00 0.00 O ATOM 698 CB GLU A 49 -5.337 14.697 3.162 1.00 0.00 C ATOM 699 CG GLU A 49 -5.279 15.977 2.341 1.00 0.00 C ATOM 700 CD GLU A 49 -3.916 16.213 1.719 1.00 0.00 C ATOM 701 OE1 GLU A 49 -3.012 15.376 1.929 1.00 0.00 O ATOM 702 OE2 GLU A 49 -3.752 17.236 1.021 1.00 0.00 O ATOM 0 H GLU A 49 -5.799 12.694 4.529 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.950 15.265 4.468 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.583 14.744 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.079 13.853 2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.031 15.932 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.535 16.824 2.978 1.00 0.00 H new ATOM 709 N ASN A 50 -7.822 13.242 2.002 1.00 0.00 N ATOM 710 CA ASN A 50 -8.792 13.053 0.925 1.00 0.00 C ATOM 711 C ASN A 50 -10.145 12.568 1.445 1.00 0.00 C ATOM 712 O ASN A 50 -10.816 11.772 0.788 1.00 0.00 O ATOM 713 CB ASN A 50 -8.247 12.060 -0.105 1.00 0.00 C ATOM 714 CG ASN A 50 -7.000 12.563 -0.813 1.00 0.00 C ATOM 715 OD1 ASN A 50 -6.427 11.865 -1.650 1.00 0.00 O ATOM 716 ND2 ASN A 50 -6.572 13.781 -0.488 1.00 0.00 N ATOM 0 H ASN A 50 -7.199 12.448 2.152 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.948 14.024 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.020 11.117 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.020 11.852 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.742 14.167 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.074 14.329 0.211 1.00 0.00 H new ATOM 723 N ASP A 51 -10.556 13.057 2.612 1.00 0.00 N ATOM 724 CA ASP A 51 -11.842 12.668 3.181 1.00 0.00 C ATOM 725 C ASP A 51 -12.983 13.431 2.507 1.00 0.00 C ATOM 726 O ASP A 51 -12.909 13.747 1.320 1.00 0.00 O ATOM 727 CB ASP A 51 -11.861 12.914 4.693 1.00 0.00 C ATOM 728 CG ASP A 51 -10.998 11.926 5.453 1.00 0.00 C ATOM 729 OD1 ASP A 51 -10.408 11.034 4.810 1.00 0.00 O ATOM 730 OD2 ASP A 51 -10.915 12.044 6.693 1.00 0.00 O ATOM 0 H ASP A 51 -10.022 13.717 3.177 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.983 11.602 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.514 13.927 4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.887 12.849 5.055 1.00 0.00 H new ATOM 735 N ASP A 52 -14.033 13.728 3.268 1.00 0.00 N ATOM 736 CA ASP A 52 -15.178 14.457 2.737 1.00 0.00 C ATOM 737 C ASP A 52 -14.811 15.913 2.462 1.00 0.00 C ATOM 738 O ASP A 52 -14.223 16.583 3.310 1.00 0.00 O ATOM 739 CB ASP A 52 -16.352 14.390 3.715 1.00 0.00 C ATOM 740 CG ASP A 52 -16.818 12.969 3.965 1.00 0.00 C ATOM 741 OD1 ASP A 52 -16.007 12.154 4.457 1.00 0.00 O ATOM 742 OD2 ASP A 52 -17.994 12.669 3.670 1.00 0.00 O ATOM 0 H ASP A 52 -14.113 13.475 4.253 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.473 13.989 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.059 14.845 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.182 14.978 3.322 1.00 0.00 H new ATOM 747 N LYS A 53 -15.167 16.393 1.273 1.00 0.00 N ATOM 748 CA LYS A 53 -14.880 17.771 0.881 1.00 0.00 C ATOM 749 C LYS A 53 -15.483 18.082 -0.485 1.00 0.00 C ATOM 750 O LYS A 53 -15.344 17.304 -1.428 1.00 0.00 O ATOM 751 CB LYS A 53 -13.366 18.016 0.852 1.00 0.00 C ATOM 752 CG LYS A 53 -12.976 19.408 0.373 1.00 0.00 C ATOM 753 CD LYS A 53 -13.543 20.495 1.273 1.00 0.00 C ATOM 754 CE LYS A 53 -13.172 21.882 0.770 1.00 0.00 C ATOM 755 NZ LYS A 53 -13.755 22.957 1.619 1.00 0.00 N ATOM 0 H LYS A 53 -15.655 15.847 0.563 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.332 18.433 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.963 17.861 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.900 17.275 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.890 19.491 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.335 19.556 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.628 20.401 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.168 20.362 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.087 21.983 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.521 22.001 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.478 23.886 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.792 22.877 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.403 22.860 2.593 1.00 0.00 H new ATOM 769 N SER A 54 -16.152 19.227 -0.580 1.00 0.00 N ATOM 770 CA SER A 54 -16.779 19.645 -1.829 1.00 0.00 C ATOM 771 C SER A 54 -15.730 19.890 -2.910 1.00 0.00 C ATOM 772 O SER A 54 -15.988 19.527 -4.076 1.00 0.00 O ATOM 773 CB SER A 54 -17.606 20.912 -1.608 1.00 0.00 C ATOM 774 OG SER A 54 -18.618 20.697 -0.640 1.00 0.00 O ATOM 775 OXT SER A 54 -14.659 20.443 -2.580 1.00 0.00 O ATOM 0 H SER A 54 -16.274 19.882 0.193 1.00 0.00 H new ATOM 0 HA SER A 54 -17.437 18.843 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.955 21.723 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.059 21.223 -2.549 1.00 0.00 H new ATOM 0 HG SER A 54 -19.132 21.522 -0.515 1.00 0.00 H new TER 781 SER A 54 ATOM 782 N MET B 1 -18.006 -11.098 -9.118 1.00 0.00 N ATOM 783 CA MET B 1 -17.124 -9.943 -9.426 1.00 0.00 C ATOM 784 C MET B 1 -15.777 -10.075 -8.722 1.00 0.00 C ATOM 785 O MET B 1 -15.707 -10.125 -7.495 1.00 0.00 O ATOM 786 CB MET B 1 -17.832 -8.663 -8.976 1.00 0.00 C ATOM 787 CG MET B 1 -16.995 -7.406 -9.154 1.00 0.00 C ATOM 788 SD MET B 1 -17.844 -5.922 -8.582 1.00 0.00 S ATOM 789 CE MET B 1 -16.581 -4.681 -8.854 1.00 0.00 C ATOM 0 H1 MET B 1 -18.915 -10.982 -9.610 1.00 0.00 H new ATOM 0 H2 MET B 1 -17.550 -11.977 -9.436 1.00 0.00 H new ATOM 0 H3 MET B 1 -18.171 -11.145 -8.092 1.00 0.00 H new ATOM 0 HA MET B 1 -16.931 -9.912 -10.498 1.00 0.00 H new ATOM 0 HB2 MET B 1 -18.759 -8.554 -9.539 1.00 0.00 H new ATOM 0 HB3 MET B 1 -18.106 -8.760 -7.926 1.00 0.00 H new ATOM 0 HG2 MET B 1 -16.058 -7.517 -8.608 1.00 0.00 H new ATOM 0 HG3 MET B 1 -16.739 -7.291 -10.207 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.529 -4.019 -7.990 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.617 -5.169 -8.996 1.00 0.00 H new ATOM 0 HE3 MET B 1 -16.828 -4.099 -9.742 1.00 0.00 H new ATOM 801 N GLN B 2 -14.709 -10.124 -9.511 1.00 0.00 N ATOM 802 CA GLN B 2 -13.359 -10.243 -8.969 1.00 0.00 C ATOM 803 C GLN B 2 -12.779 -8.871 -8.649 1.00 0.00 C ATOM 804 O GLN B 2 -13.017 -7.906 -9.374 1.00 0.00 O ATOM 805 CB GLN B 2 -12.450 -10.968 -9.962 1.00 0.00 C ATOM 806 CG GLN B 2 -12.920 -12.370 -10.311 1.00 0.00 C ATOM 807 CD GLN B 2 -12.003 -13.060 -11.302 1.00 0.00 C ATOM 808 OE1 GLN B 2 -11.800 -12.578 -12.417 1.00 0.00 O ATOM 809 NE2 GLN B 2 -11.442 -14.194 -10.900 1.00 0.00 N ATOM 0 H GLN B 2 -14.752 -10.083 -10.529 1.00 0.00 H new ATOM 0 HA GLN B 2 -13.416 -10.821 -8.047 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.383 -10.379 -10.877 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.444 -11.025 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.981 -12.967 -9.401 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.926 -12.319 -10.726 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -11.638 -14.557 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -10.815 -14.702 -11.524 1.00 0.00 H new ATOM 818 N ILE B 3 -12.013 -8.789 -7.567 1.00 0.00 N ATOM 819 CA ILE B 3 -11.394 -7.529 -7.169 1.00 0.00 C ATOM 820 C ILE B 3 -9.951 -7.745 -6.720 1.00 0.00 C ATOM 821 O ILE B 3 -9.662 -8.645 -5.932 1.00 0.00 O ATOM 822 CB ILE B 3 -12.179 -6.837 -6.035 1.00 0.00 C ATOM 823 CG1 ILE B 3 -12.228 -7.731 -4.795 1.00 0.00 C ATOM 824 CG2 ILE B 3 -13.584 -6.488 -6.503 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.825 -7.051 -3.582 1.00 0.00 C ATOM 0 H ILE B 3 -11.806 -9.576 -6.952 1.00 0.00 H new ATOM 0 HA ILE B 3 -11.408 -6.883 -8.047 1.00 0.00 H new ATOM 0 HB ILE B 3 -11.665 -5.913 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.810 -8.624 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -11.217 -8.062 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -14.127 -6.000 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -13.526 -5.814 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -14.107 -7.399 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.828 -7.744 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -12.231 -6.174 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.847 -6.745 -3.803 1.00 0.00 H new ATOM 837 N PHE B 4 -9.049 -6.914 -7.231 1.00 0.00 N ATOM 838 CA PHE B 4 -7.635 -7.015 -6.886 1.00 0.00 C ATOM 839 C PHE B 4 -7.347 -6.324 -5.560 1.00 0.00 C ATOM 840 O PHE B 4 -7.949 -5.302 -5.236 1.00 0.00 O ATOM 841 CB PHE B 4 -6.764 -6.413 -7.993 1.00 0.00 C ATOM 842 CG PHE B 4 -6.757 -7.212 -9.269 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.944 -7.609 -9.866 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.560 -7.562 -9.872 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.936 -8.341 -11.037 1.00 0.00 C ATOM 846 CE2 PHE B 4 -5.547 -8.294 -11.044 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.735 -8.683 -11.627 1.00 0.00 C ATOM 0 H PHE B 4 -9.271 -6.163 -7.885 1.00 0.00 H new ATOM 0 HA PHE B 4 -7.391 -8.072 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -7.116 -5.404 -8.210 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -5.741 -6.322 -7.628 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.886 -7.343 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.626 -7.259 -9.421 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.868 -8.646 -11.491 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.607 -8.561 -11.503 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.726 -9.254 -12.544 1.00 0.00 H new ATOM 857 N VAL B 5 -6.418 -6.889 -4.798 1.00 0.00 N ATOM 858 CA VAL B 5 -6.040 -6.328 -3.508 1.00 0.00 C ATOM 859 C VAL B 5 -4.519 -6.241 -3.391 1.00 0.00 C ATOM 860 O VAL B 5 -3.884 -7.077 -2.749 1.00 0.00 O ATOM 861 CB VAL B 5 -6.601 -7.168 -2.341 1.00 0.00 C ATOM 862 CG1 VAL B 5 -6.283 -6.516 -1.004 1.00 0.00 C ATOM 863 CG2 VAL B 5 -8.101 -7.366 -2.500 1.00 0.00 C ATOM 0 H VAL B 5 -5.912 -7.737 -5.053 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.467 -5.327 -3.447 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.121 -8.146 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.688 -7.126 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.202 -6.432 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.730 -5.523 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.480 -7.960 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.597 -6.396 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.302 -7.884 -3.438 1.00 0.00 H new ATOM 873 N LYS B 6 -3.942 -5.227 -4.035 1.00 0.00 N ATOM 874 CA LYS B 6 -2.496 -5.035 -4.021 1.00 0.00 C ATOM 875 C LYS B 6 -1.992 -4.686 -2.627 1.00 0.00 C ATOM 876 O LYS B 6 -2.383 -3.674 -2.052 1.00 0.00 O ATOM 877 CB LYS B 6 -2.095 -3.929 -5.003 1.00 0.00 C ATOM 878 CG LYS B 6 -0.590 -3.750 -5.130 1.00 0.00 C ATOM 879 CD LYS B 6 -0.236 -2.743 -6.211 1.00 0.00 C ATOM 880 CE LYS B 6 1.260 -2.478 -6.256 1.00 0.00 C ATOM 881 NZ LYS B 6 1.622 -1.513 -7.331 1.00 0.00 N ATOM 0 H LYS B 6 -4.455 -4.528 -4.572 1.00 0.00 H new ATOM 0 HA LYS B 6 -2.038 -5.976 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.510 -4.157 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.539 -2.988 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.181 -3.419 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.127 -4.710 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.570 -3.115 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.767 -1.809 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.589 -2.088 -5.293 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.790 -3.417 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 2.333 -0.844 -6.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.013 -2.030 -8.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.774 -0.990 -7.628 1.00 0.00 H new ATOM 895 N THR B 7 -1.106 -5.524 -2.101 1.00 0.00 N ATOM 896 CA THR B 7 -0.529 -5.298 -0.784 1.00 0.00 C ATOM 897 C THR B 7 0.494 -4.171 -0.842 1.00 0.00 C ATOM 898 O THR B 7 1.155 -3.981 -1.864 1.00 0.00 O ATOM 899 CB THR B 7 0.150 -6.568 -0.234 1.00 0.00 C ATOM 900 OG1 THR B 7 1.214 -6.973 -1.103 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.853 -7.703 -0.089 1.00 0.00 C ATOM 0 H THR B 7 -0.772 -6.367 -2.568 1.00 0.00 H new ATOM 0 HA THR B 7 -1.345 -5.025 -0.115 1.00 0.00 H new ATOM 0 HB THR B 7 0.555 -6.336 0.751 1.00 0.00 H new ATOM 0 HG1 THR B 7 2.068 -6.907 -0.627 1.00 0.00 H new ATOM 0 HG21 THR B 7 -0.348 -8.587 0.301 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.644 -7.404 0.599 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.286 -7.932 -1.063 1.00 0.00 H new ATOM 909 N LEU B 8 0.620 -3.425 0.252 1.00 0.00 N ATOM 910 CA LEU B 8 1.567 -2.316 0.316 1.00 0.00 C ATOM 911 C LEU B 8 2.931 -2.745 -0.218 1.00 0.00 C ATOM 912 O LEU B 8 3.643 -1.955 -0.836 1.00 0.00 O ATOM 913 CB LEU B 8 1.702 -1.809 1.753 1.00 0.00 C ATOM 914 CG LEU B 8 2.523 -0.528 1.914 1.00 0.00 C ATOM 915 CD1 LEU B 8 1.830 0.641 1.227 1.00 0.00 C ATOM 916 CD2 LEU B 8 2.755 -0.222 3.386 1.00 0.00 C ATOM 0 H LEU B 8 0.079 -3.568 1.105 1.00 0.00 H new ATOM 0 HA LEU B 8 1.187 -1.506 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU B 8 0.704 -1.636 2.156 1.00 0.00 H new ATOM 0 HB3 LEU B 8 2.158 -2.593 2.357 1.00 0.00 H new ATOM 0 HG LEU B 8 3.492 -0.680 1.439 1.00 0.00 H new ATOM 0 HD11 LEU B 8 2.429 1.543 1.352 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.718 0.424 0.165 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.847 0.793 1.672 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.341 0.693 3.480 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.795 -0.091 3.886 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.296 -1.048 3.849 1.00 0.00 H new ATOM 928 N THR B 9 3.283 -4.005 0.022 1.00 0.00 N ATOM 929 CA THR B 9 4.555 -4.546 -0.439 1.00 0.00 C ATOM 930 C THR B 9 4.574 -4.691 -1.960 1.00 0.00 C ATOM 931 O THR B 9 5.467 -4.170 -2.629 1.00 0.00 O ATOM 932 CB THR B 9 4.848 -5.916 0.200 1.00 0.00 C ATOM 933 OG1 THR B 9 3.819 -6.850 -0.145 1.00 0.00 O ATOM 934 CG2 THR B 9 4.942 -5.794 1.714 1.00 0.00 C ATOM 0 H THR B 9 2.703 -4.670 0.534 1.00 0.00 H new ATOM 0 HA THR B 9 5.327 -3.839 -0.135 1.00 0.00 H new ATOM 0 HB THR B 9 5.804 -6.274 -0.182 1.00 0.00 H new ATOM 0 HG1 THR B 9 4.015 -7.719 0.265 1.00 0.00 H new ATOM 0 HG21 THR B 9 5.149 -6.773 2.146 1.00 0.00 H new ATOM 0 HG22 THR B 9 5.745 -5.105 1.974 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.998 -5.416 2.108 1.00 0.00 H new ATOM 942 N GLY B 10 3.582 -5.398 -2.502 1.00 0.00 N ATOM 943 CA GLY B 10 3.512 -5.589 -3.941 1.00 0.00 C ATOM 944 C GLY B 10 2.574 -6.712 -4.351 1.00 0.00 C ATOM 945 O GLY B 10 1.818 -6.575 -5.313 1.00 0.00 O ATOM 0 H GLY B 10 2.830 -5.839 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY B 10 3.183 -4.661 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY B 10 4.511 -5.801 -4.322 1.00 0.00 H new ATOM 949 N LYS B 11 2.636 -7.831 -3.632 1.00 0.00 N ATOM 950 CA LYS B 11 1.798 -8.992 -3.934 1.00 0.00 C ATOM 951 C LYS B 11 0.319 -8.623 -3.991 1.00 0.00 C ATOM 952 O LYS B 11 -0.227 -8.061 -3.044 1.00 0.00 O ATOM 953 CB LYS B 11 2.012 -10.083 -2.883 1.00 0.00 C ATOM 954 CG LYS B 11 1.121 -11.298 -3.079 1.00 0.00 C ATOM 955 CD LYS B 11 1.275 -12.289 -1.938 1.00 0.00 C ATOM 956 CE LYS B 11 0.374 -13.500 -2.126 1.00 0.00 C ATOM 957 NZ LYS B 11 0.660 -14.213 -3.402 1.00 0.00 N ATOM 0 H LYS B 11 3.259 -7.959 -2.834 1.00 0.00 H new ATOM 0 HA LYS B 11 2.093 -9.362 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.055 -10.400 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.829 -9.664 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS B 11 0.081 -10.980 -3.149 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.370 -11.785 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.314 -12.613 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS B 11 1.036 -11.799 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS B 11 0.508 -14.186 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -0.669 -13.182 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.205 -15.148 -3.387 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.287 -13.660 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.688 -14.330 -3.512 1.00 0.00 H new ATOM 971 N THR B 12 -0.328 -8.962 -5.103 1.00 0.00 N ATOM 972 CA THR B 12 -1.749 -8.682 -5.279 1.00 0.00 C ATOM 973 C THR B 12 -2.599 -9.910 -4.965 1.00 0.00 C ATOM 974 O THR B 12 -2.315 -11.010 -5.438 1.00 0.00 O ATOM 975 CB THR B 12 -2.067 -8.215 -6.711 1.00 0.00 C ATOM 976 OG1 THR B 12 -1.524 -9.138 -7.662 1.00 0.00 O ATOM 977 CG2 THR B 12 -1.513 -6.822 -6.967 1.00 0.00 C ATOM 0 H THR B 12 0.110 -9.431 -5.896 1.00 0.00 H new ATOM 0 HA THR B 12 -1.992 -7.881 -4.581 1.00 0.00 H new ATOM 0 HB THR B 12 -3.151 -8.179 -6.823 1.00 0.00 H new ATOM 0 HG1 THR B 12 -1.693 -10.055 -7.361 1.00 0.00 H new ATOM 0 HG21 THR B 12 -1.752 -6.517 -7.986 1.00 0.00 H new ATOM 0 HG22 THR B 12 -1.958 -6.118 -6.264 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.431 -6.831 -6.835 1.00 0.00 H new ATOM 985 N ILE B 13 -3.648 -9.710 -4.173 1.00 0.00 N ATOM 986 CA ILE B 13 -4.548 -10.797 -3.808 1.00 0.00 C ATOM 987 C ILE B 13 -5.926 -10.584 -4.426 1.00 0.00 C ATOM 988 O ILE B 13 -6.541 -9.534 -4.243 1.00 0.00 O ATOM 989 CB ILE B 13 -4.696 -10.916 -2.278 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.328 -11.126 -1.624 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.640 -12.059 -1.924 1.00 0.00 C ATOM 992 CD1 ILE B 13 -3.379 -11.164 -0.111 1.00 0.00 C ATOM 0 H ILE B 13 -3.895 -8.805 -3.772 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.112 -11.719 -4.192 1.00 0.00 H new ATOM 0 HB ILE B 13 -5.121 -9.987 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.900 -12.060 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.658 -10.325 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.734 -12.131 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.620 -11.870 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.241 -12.995 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -2.374 -11.316 0.283 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.777 -10.221 0.263 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -4.022 -11.983 0.211 1.00 0.00 H new ATOM 1004 N THR B 14 -6.405 -11.582 -5.159 1.00 0.00 N ATOM 1005 CA THR B 14 -7.710 -11.495 -5.802 1.00 0.00 C ATOM 1006 C THR B 14 -8.799 -12.113 -4.931 1.00 0.00 C ATOM 1007 O THR B 14 -8.669 -13.246 -4.467 1.00 0.00 O ATOM 1008 CB THR B 14 -7.703 -12.192 -7.176 1.00 0.00 C ATOM 1009 OG1 THR B 14 -6.700 -11.607 -8.015 1.00 0.00 O ATOM 1010 CG2 THR B 14 -9.061 -12.079 -7.854 1.00 0.00 C ATOM 0 H THR B 14 -5.910 -12.459 -5.323 1.00 0.00 H new ATOM 0 HA THR B 14 -7.925 -10.435 -5.941 1.00 0.00 H new ATOM 0 HB THR B 14 -7.481 -13.248 -7.019 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.700 -12.056 -8.886 1.00 0.00 H new ATOM 0 HG21 THR B 14 -9.027 -12.580 -8.822 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.820 -12.549 -7.229 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.309 -11.027 -7.998 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.880 -11.365 -4.723 1.00 0.00 N ATOM 1019 CA LEU B 15 -11.000 -11.841 -3.920 1.00 0.00 C ATOM 1020 C LEU B 15 -12.284 -11.838 -4.726 1.00 0.00 C ATOM 1021 O LEU B 15 -12.560 -10.903 -5.482 1.00 0.00 O ATOM 1022 CB LEU B 15 -11.203 -10.984 -2.666 1.00 0.00 C ATOM 1023 CG LEU B 15 -10.193 -11.199 -1.531 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -10.196 -12.652 -1.076 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -8.797 -10.777 -1.960 1.00 0.00 C ATOM 0 H LEU B 15 -10.003 -10.426 -5.101 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.758 -12.860 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -11.172 -9.935 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -12.203 -11.177 -2.277 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.493 -10.575 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.473 -12.783 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -11.190 -12.919 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -9.927 -13.296 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.099 -10.939 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.487 -11.368 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.803 -9.721 -2.228 1.00 0.00 H new ATOM 1037 N GLU B 16 -13.075 -12.876 -4.529 1.00 0.00 N ATOM 1038 CA GLU B 16 -14.358 -12.999 -5.199 1.00 0.00 C ATOM 1039 C GLU B 16 -15.420 -12.334 -4.339 1.00 0.00 C ATOM 1040 O GLU B 16 -15.586 -12.687 -3.172 1.00 0.00 O ATOM 1041 CB GLU B 16 -14.705 -14.470 -5.435 1.00 0.00 C ATOM 1042 CG GLU B 16 -16.026 -14.679 -6.159 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.353 -16.146 -6.368 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -15.545 -17.001 -5.949 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.418 -16.438 -6.950 1.00 0.00 O ATOM 0 H GLU B 16 -12.850 -13.652 -3.906 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.311 -12.509 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.906 -14.934 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.742 -14.984 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.827 -14.210 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.989 -14.178 -7.126 1.00 0.00 H new ATOM 1052 N VAL B 17 -16.119 -11.357 -4.898 1.00 0.00 N ATOM 1053 CA VAL B 17 -17.132 -10.648 -4.137 1.00 0.00 C ATOM 1054 C VAL B 17 -18.013 -9.790 -5.046 1.00 0.00 C ATOM 1055 O VAL B 17 -17.518 -9.022 -5.872 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.457 -9.766 -3.056 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.983 -8.437 -3.626 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -17.369 -9.557 -1.865 1.00 0.00 C ATOM 0 H VAL B 17 -16.005 -11.042 -5.861 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.772 -11.386 -3.653 1.00 0.00 H new ATOM 0 HB VAL B 17 -15.575 -10.303 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -15.516 -7.848 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -15.259 -8.619 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -16.835 -7.890 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -16.865 -8.934 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -18.285 -9.064 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -17.614 -10.522 -1.421 1.00 0.00 H new ATOM 1068 N GLU B 18 -19.325 -9.937 -4.899 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.270 -9.182 -5.710 1.00 0.00 C ATOM 1070 C GLU B 18 -20.378 -7.746 -5.226 1.00 0.00 C ATOM 1071 O GLU B 18 -20.328 -7.478 -4.026 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.648 -9.838 -5.674 1.00 0.00 C ATOM 1073 CG GLU B 18 -21.621 -11.296 -6.079 1.00 0.00 C ATOM 1074 CD GLU B 18 -23.004 -11.918 -6.131 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -23.988 -11.206 -5.841 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -23.101 -13.119 -6.460 1.00 0.00 O ATOM 0 H GLU B 18 -19.757 -10.571 -4.227 1.00 0.00 H new ATOM 0 HA GLU B 18 -19.900 -9.179 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -22.058 -9.754 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -22.320 -9.295 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -21.149 -11.388 -7.057 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -21.004 -11.853 -5.374 1.00 0.00 H new ATOM 1083 N SER B 19 -20.543 -6.827 -6.168 1.00 0.00 N ATOM 1084 CA SER B 19 -20.678 -5.417 -5.840 1.00 0.00 C ATOM 1085 C SER B 19 -21.878 -5.206 -4.922 1.00 0.00 C ATOM 1086 O SER B 19 -21.969 -4.200 -4.218 1.00 0.00 O ATOM 1087 CB SER B 19 -20.840 -4.586 -7.114 1.00 0.00 C ATOM 1088 OG SER B 19 -20.954 -3.206 -6.812 1.00 0.00 O ATOM 0 H SER B 19 -20.586 -7.034 -7.166 1.00 0.00 H new ATOM 0 HA SER B 19 -19.775 -5.091 -5.324 1.00 0.00 H new ATOM 0 HB2 SER B 19 -19.984 -4.749 -7.769 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.725 -4.917 -7.658 1.00 0.00 H new ATOM 0 HG SER B 19 -21.023 -2.694 -7.644 1.00 0.00 H new ATOM 1094 N SER B 20 -22.798 -6.167 -4.947 1.00 0.00 N ATOM 1095 CA SER B 20 -24.005 -6.102 -4.129 1.00 0.00 C ATOM 1096 C SER B 20 -23.706 -6.343 -2.650 1.00 0.00 C ATOM 1097 O SER B 20 -24.426 -5.851 -1.782 1.00 0.00 O ATOM 1098 CB SER B 20 -25.030 -7.121 -4.624 1.00 0.00 C ATOM 1099 OG SER B 20 -26.216 -7.070 -3.851 1.00 0.00 O ATOM 0 H SER B 20 -22.730 -7.003 -5.527 1.00 0.00 H new ATOM 0 HA SER B 20 -24.412 -5.096 -4.226 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.266 -6.925 -5.670 1.00 0.00 H new ATOM 0 HB3 SER B 20 -24.604 -8.123 -4.575 1.00 0.00 H new ATOM 0 HG SER B 20 -26.856 -7.731 -4.189 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.657 -7.115 -2.372 1.00 0.00 N ATOM 1106 CA ASP B 21 -22.274 -7.436 -0.997 1.00 0.00 C ATOM 1107 C ASP B 21 -21.947 -6.176 -0.188 1.00 0.00 C ATOM 1108 O ASP B 21 -22.794 -5.298 -0.029 1.00 0.00 O ATOM 1109 CB ASP B 21 -21.089 -8.407 -0.988 1.00 0.00 C ATOM 1110 CG ASP B 21 -21.450 -9.762 -1.562 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -21.904 -9.813 -2.721 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -21.276 -10.774 -0.850 1.00 0.00 O ATOM 0 H ASP B 21 -22.055 -7.531 -3.083 1.00 0.00 H new ATOM 0 HA ASP B 21 -23.128 -7.916 -0.519 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -20.267 -7.979 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -20.732 -8.532 0.034 1.00 0.00 H new ATOM 1117 N THR B 22 -20.726 -6.096 0.342 1.00 0.00 N ATOM 1118 CA THR B 22 -20.326 -4.949 1.146 1.00 0.00 C ATOM 1119 C THR B 22 -18.820 -4.927 1.381 1.00 0.00 C ATOM 1120 O THR B 22 -18.176 -5.975 1.444 1.00 0.00 O ATOM 1121 CB THR B 22 -21.049 -4.951 2.506 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.595 -3.856 3.308 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.810 -6.260 3.245 1.00 0.00 C ATOM 0 H THR B 22 -20.004 -6.808 0.228 1.00 0.00 H new ATOM 0 HA THR B 22 -20.607 -4.057 0.587 1.00 0.00 H new ATOM 0 HB THR B 22 -22.118 -4.845 2.321 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.459 -3.069 2.740 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.330 -6.238 4.202 1.00 0.00 H new ATOM 0 HG22 THR B 22 -21.187 -7.090 2.647 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.742 -6.392 3.416 1.00 0.00 H new ATOM 1131 N ILE B 23 -18.267 -3.722 1.505 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.834 -3.553 1.732 1.00 0.00 C ATOM 1133 C ILE B 23 -16.381 -4.354 2.949 1.00 0.00 C ATOM 1134 O ILE B 23 -15.331 -4.998 2.925 1.00 0.00 O ATOM 1135 CB ILE B 23 -16.465 -2.069 1.942 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -16.954 -1.210 0.769 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.960 -1.918 2.123 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -16.364 -1.600 -0.571 1.00 0.00 C ATOM 0 H ILE B 23 -18.790 -2.848 1.452 1.00 0.00 H new ATOM 0 HA ILE B 23 -16.325 -3.920 0.841 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.963 -1.719 2.847 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -18.040 -1.279 0.710 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -16.712 -0.167 0.971 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -14.715 -0.866 2.270 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.639 -2.490 2.993 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -14.448 -2.289 1.235 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -16.760 -0.945 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -15.279 -1.503 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -16.628 -2.633 -0.798 1.00 0.00 H new ATOM 1150 N ASP B 24 -17.184 -4.310 4.009 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.873 -5.033 5.237 1.00 0.00 C ATOM 1152 C ASP B 24 -16.656 -6.513 4.948 1.00 0.00 C ATOM 1153 O ASP B 24 -15.743 -7.134 5.491 1.00 0.00 O ATOM 1154 CB ASP B 24 -18.002 -4.862 6.256 1.00 0.00 C ATOM 1155 CG ASP B 24 -17.730 -5.604 7.550 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -16.710 -5.300 8.205 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -18.536 -6.487 7.910 1.00 0.00 O ATOM 0 H ASP B 24 -18.055 -3.781 4.041 1.00 0.00 H new ATOM 0 HA ASP B 24 -15.954 -4.619 5.653 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.137 -3.802 6.470 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -18.936 -5.222 5.824 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.499 -7.069 4.084 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.400 -8.474 3.714 1.00 0.00 C ATOM 1164 C ASN B 25 -16.053 -8.757 3.059 1.00 0.00 C ATOM 1165 O ASN B 25 -15.407 -9.762 3.356 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.539 -8.854 2.765 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.525 -10.326 2.397 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -17.569 -10.823 1.801 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -19.593 -11.032 2.751 1.00 0.00 N ATOM 0 H ASN B 25 -18.259 -6.566 3.627 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.481 -9.077 4.618 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.493 -8.609 3.232 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.465 -8.256 1.857 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -19.643 -12.026 2.530 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -20.363 -10.580 3.244 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.631 -7.859 2.172 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.357 -8.007 1.481 1.00 0.00 C ATOM 1178 C VAL B 26 -13.209 -8.100 2.477 1.00 0.00 C ATOM 1179 O VAL B 26 -12.402 -9.031 2.427 1.00 0.00 O ATOM 1180 CB VAL B 26 -14.098 -6.825 0.525 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.737 -6.962 -0.141 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -15.201 -6.732 -0.518 1.00 0.00 C ATOM 0 H VAL B 26 -16.154 -7.022 1.916 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.411 -8.928 0.901 1.00 0.00 H new ATOM 0 HB VAL B 26 -14.100 -5.904 1.108 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.573 -6.118 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.958 -6.976 0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.703 -7.890 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -15.002 -5.892 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -15.233 -7.655 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -16.160 -6.582 -0.021 1.00 0.00 H new ATOM 1192 N LYS B 27 -13.147 -7.135 3.391 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.104 -7.116 4.406 1.00 0.00 C ATOM 1194 C LYS B 27 -12.151 -8.393 5.235 1.00 0.00 C ATOM 1195 O LYS B 27 -11.115 -8.935 5.618 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.252 -5.889 5.304 1.00 0.00 C ATOM 1197 CG LYS B 27 -12.144 -4.576 4.548 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.105 -3.383 5.488 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.952 -2.080 4.720 1.00 0.00 C ATOM 1200 NZ LYS B 27 -11.812 -0.909 5.629 1.00 0.00 N ATOM 0 H LYS B 27 -13.806 -6.359 3.447 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.136 -7.061 3.908 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.217 -5.931 5.809 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.485 -5.919 6.078 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.244 -4.584 3.934 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.992 -4.477 3.870 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.020 -3.354 6.080 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.276 -3.495 6.187 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -11.078 -2.142 4.072 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.818 -1.936 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.160 -0.054 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.367 -1.072 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.811 -0.782 5.880 1.00 0.00 H new ATOM 1214 N SER B 28 -13.365 -8.874 5.492 1.00 0.00 N ATOM 1215 CA SER B 28 -13.555 -10.097 6.259 1.00 0.00 C ATOM 1216 C SER B 28 -12.910 -11.277 5.539 1.00 0.00 C ATOM 1217 O SER B 28 -12.221 -12.093 6.155 1.00 0.00 O ATOM 1218 CB SER B 28 -15.044 -10.363 6.477 1.00 0.00 C ATOM 1219 OG SER B 28 -15.660 -9.282 7.153 1.00 0.00 O ATOM 0 H SER B 28 -14.230 -8.434 5.179 1.00 0.00 H new ATOM 0 HA SER B 28 -13.077 -9.975 7.231 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.533 -10.521 5.516 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.173 -11.278 7.055 1.00 0.00 H new ATOM 0 HG SER B 28 -15.635 -8.484 6.585 1.00 0.00 H new ATOM 1225 N LYS B 29 -13.125 -11.351 4.227 1.00 0.00 N ATOM 1226 CA LYS B 29 -12.551 -12.421 3.422 1.00 0.00 C ATOM 1227 C LYS B 29 -11.034 -12.393 3.537 1.00 0.00 C ATOM 1228 O LYS B 29 -10.392 -13.428 3.715 1.00 0.00 O ATOM 1229 CB LYS B 29 -12.966 -12.281 1.955 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.471 -12.236 1.747 1.00 0.00 C ATOM 1231 CD LYS B 29 -14.845 -12.243 0.271 1.00 0.00 C ATOM 1232 CE LYS B 29 -14.611 -13.605 -0.370 1.00 0.00 C ATOM 1233 NZ LYS B 29 -13.168 -13.970 -0.417 1.00 0.00 N ATOM 0 H LYS B 29 -13.691 -10.684 3.702 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.926 -13.374 3.795 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.524 -11.372 1.547 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.555 -13.117 1.389 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.931 -13.092 2.241 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.875 -11.340 2.219 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.893 -11.966 0.161 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.259 -11.489 -0.255 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.157 -14.365 0.189 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.015 -13.601 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.945 -14.385 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.590 -13.118 -0.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.961 -14.662 0.331 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.470 -11.191 3.448 1.00 0.00 N ATOM 1248 CA ILE B 30 -9.030 -11.013 3.560 1.00 0.00 C ATOM 1249 C ILE B 30 -8.555 -11.414 4.953 1.00 0.00 C ATOM 1250 O ILE B 30 -7.452 -11.935 5.122 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.616 -9.552 3.277 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.110 -9.119 1.894 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.105 -9.403 3.376 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.837 -7.663 1.580 1.00 0.00 C ATOM 0 H ILE B 30 -10.991 -10.327 3.299 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.561 -11.654 2.813 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.076 -8.906 4.025 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.633 -9.741 1.136 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.183 -9.301 1.827 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -6.827 -8.368 3.174 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -6.777 -9.678 4.379 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.626 -10.056 2.646 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.214 -7.428 0.585 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.337 -7.032 2.315 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.763 -7.479 1.614 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.404 -11.166 5.948 1.00 0.00 N ATOM 1267 CA GLN B 31 -9.090 -11.495 7.334 1.00 0.00 C ATOM 1268 C GLN B 31 -8.885 -12.996 7.514 1.00 0.00 C ATOM 1269 O GLN B 31 -7.923 -13.427 8.144 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.215 -11.018 8.257 1.00 0.00 C ATOM 1271 CG GLN B 31 -10.017 -11.408 9.714 1.00 0.00 C ATOM 1272 CD GLN B 31 -11.191 -11.008 10.589 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -12.321 -11.440 10.365 1.00 0.00 O ATOM 1274 NE2 GLN B 31 -10.928 -10.179 11.592 1.00 0.00 N ATOM 0 H GLN B 31 -10.320 -10.736 5.817 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.162 -10.986 7.595 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.294 -9.933 8.188 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.161 -11.430 7.905 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -9.869 -12.486 9.781 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -9.109 -10.938 10.092 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -9.976 -9.845 11.741 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -11.678 -9.876 12.213 1.00 0.00 H new ATOM 1283 N ASP B 32 -9.803 -13.788 6.971 1.00 0.00 N ATOM 1284 CA ASP B 32 -9.722 -15.242 7.087 1.00 0.00 C ATOM 1285 C ASP B 32 -8.580 -15.811 6.247 1.00 0.00 C ATOM 1286 O ASP B 32 -7.854 -16.700 6.691 1.00 0.00 O ATOM 1287 CB ASP B 32 -11.047 -15.878 6.664 1.00 0.00 C ATOM 1288 CG ASP B 32 -11.026 -17.390 6.781 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -10.821 -17.895 7.905 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -11.214 -18.068 5.749 1.00 0.00 O ATOM 0 H ASP B 32 -10.610 -13.450 6.447 1.00 0.00 H new ATOM 0 HA ASP B 32 -9.521 -15.481 8.131 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -11.852 -15.480 7.282 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -11.268 -15.599 5.634 1.00 0.00 H new ATOM 1295 N LYS B 33 -8.438 -15.305 5.026 1.00 0.00 N ATOM 1296 CA LYS B 33 -7.399 -15.774 4.112 1.00 0.00 C ATOM 1297 C LYS B 33 -5.995 -15.480 4.643 1.00 0.00 C ATOM 1298 O LYS B 33 -5.216 -16.399 4.900 1.00 0.00 O ATOM 1299 CB LYS B 33 -7.583 -15.123 2.738 1.00 0.00 C ATOM 1300 CG LYS B 33 -6.506 -15.495 1.728 1.00 0.00 C ATOM 1301 CD LYS B 33 -6.764 -14.855 0.371 1.00 0.00 C ATOM 1302 CE LYS B 33 -8.042 -15.381 -0.262 1.00 0.00 C ATOM 1303 NZ LYS B 33 -7.985 -16.853 -0.486 1.00 0.00 N ATOM 0 H LYS B 33 -9.031 -14.568 4.645 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.499 -16.856 4.025 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.556 -15.410 2.339 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -7.595 -14.040 2.859 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -5.532 -15.178 2.101 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.468 -16.579 1.618 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -6.833 -13.773 0.485 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -5.921 -15.053 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -8.890 -15.144 0.381 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.211 -14.875 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.746 -17.135 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.065 -17.106 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.105 -17.347 0.421 1.00 0.00 H new ATOM 1317 N GLU B 34 -5.672 -14.200 4.789 1.00 0.00 N ATOM 1318 CA GLU B 34 -4.356 -13.790 5.272 1.00 0.00 C ATOM 1319 C GLU B 34 -4.204 -14.007 6.776 1.00 0.00 C ATOM 1320 O GLU B 34 -3.132 -14.381 7.250 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.098 -12.321 4.929 1.00 0.00 C ATOM 1322 CG GLU B 34 -3.967 -12.055 3.438 1.00 0.00 C ATOM 1323 CD GLU B 34 -2.780 -12.770 2.817 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -2.778 -14.018 2.798 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -1.849 -12.078 2.352 1.00 0.00 O ATOM 0 H GLU B 34 -6.303 -13.427 4.580 1.00 0.00 H new ATOM 0 HA GLU B 34 -3.618 -14.416 4.771 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.913 -11.716 5.327 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -3.186 -11.995 5.429 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -4.881 -12.372 2.935 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.867 -10.982 3.272 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.274 -13.754 7.522 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.224 -13.913 8.964 1.00 0.00 C ATOM 1334 C GLY B 35 -4.616 -12.705 9.647 1.00 0.00 C ATOM 1335 O GLY B 35 -3.817 -12.839 10.573 1.00 0.00 O ATOM 0 H GLY B 35 -6.173 -13.442 7.155 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.232 -14.077 9.346 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -4.642 -14.801 9.211 1.00 0.00 H new ATOM 1339 N ILE B 36 -5.000 -11.521 9.180 1.00 0.00 N ATOM 1340 CA ILE B 36 -4.497 -10.270 9.737 1.00 0.00 C ATOM 1341 C ILE B 36 -5.634 -9.450 10.346 1.00 0.00 C ATOM 1342 O ILE B 36 -6.702 -9.323 9.746 1.00 0.00 O ATOM 1343 CB ILE B 36 -3.790 -9.428 8.653 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -2.633 -10.221 8.039 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.290 -8.114 9.235 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -1.932 -9.500 6.905 1.00 0.00 C ATOM 0 H ILE B 36 -5.662 -11.402 8.413 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.779 -10.525 10.517 1.00 0.00 H new ATOM 0 HB ILE B 36 -4.510 -9.198 7.867 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.905 -10.447 8.819 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -3.013 -11.174 7.672 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.795 -7.536 8.455 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.133 -7.546 9.628 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.583 -8.318 10.039 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.125 -10.124 6.521 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -2.646 -9.298 6.106 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.521 -8.559 7.271 1.00 0.00 H new ATOM 1358 N PRO B 37 -5.422 -8.881 11.550 1.00 0.00 N ATOM 1359 CA PRO B 37 -6.441 -8.071 12.230 1.00 0.00 C ATOM 1360 C PRO B 37 -7.023 -6.986 11.324 1.00 0.00 C ATOM 1361 O PRO B 37 -6.299 -6.366 10.546 1.00 0.00 O ATOM 1362 CB PRO B 37 -5.675 -7.440 13.393 1.00 0.00 C ATOM 1363 CG PRO B 37 -4.561 -8.388 13.671 1.00 0.00 C ATOM 1364 CD PRO B 37 -4.180 -8.980 12.342 1.00 0.00 C ATOM 0 HA PRO B 37 -7.297 -8.671 12.540 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -5.298 -6.452 13.129 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -6.315 -7.314 14.266 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -3.715 -7.873 14.126 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -4.874 -9.165 14.369 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.363 -8.429 11.877 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -3.850 -10.014 12.443 1.00 0.00 H new ATOM 1372 N PRO B 38 -8.347 -6.749 11.409 1.00 0.00 N ATOM 1373 CA PRO B 38 -9.025 -5.737 10.588 1.00 0.00 C ATOM 1374 C PRO B 38 -8.411 -4.350 10.742 1.00 0.00 C ATOM 1375 O PRO B 38 -8.242 -3.624 9.764 1.00 0.00 O ATOM 1376 CB PRO B 38 -10.462 -5.743 11.118 1.00 0.00 C ATOM 1377 CG PRO B 38 -10.632 -7.082 11.749 1.00 0.00 C ATOM 1378 CD PRO B 38 -9.285 -7.449 12.306 1.00 0.00 C ATOM 0 HA PRO B 38 -8.947 -5.966 9.525 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.620 -4.943 11.841 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.181 -5.592 10.313 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -11.385 -7.050 12.537 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.966 -7.818 11.018 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.174 -7.121 13.340 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.125 -8.527 12.294 1.00 0.00 H new ATOM 1386 N ASP B 39 -8.083 -3.985 11.976 1.00 0.00 N ATOM 1387 CA ASP B 39 -7.492 -2.681 12.259 1.00 0.00 C ATOM 1388 C ASP B 39 -6.090 -2.565 11.666 1.00 0.00 C ATOM 1389 O ASP B 39 -5.723 -1.527 11.115 1.00 0.00 O ATOM 1390 CB ASP B 39 -7.439 -2.442 13.770 1.00 0.00 C ATOM 1391 CG ASP B 39 -6.831 -1.099 14.121 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -7.388 -0.065 13.695 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -5.798 -1.080 14.823 1.00 0.00 O ATOM 0 H ASP B 39 -8.216 -4.574 12.798 1.00 0.00 H new ATOM 0 HA ASP B 39 -8.121 -1.922 11.794 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -8.447 -2.500 14.180 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -6.858 -3.235 14.240 1.00 0.00 H new ATOM 1398 N GLN B 40 -5.306 -3.632 11.794 1.00 0.00 N ATOM 1399 CA GLN B 40 -3.938 -3.647 11.283 1.00 0.00 C ATOM 1400 C GLN B 40 -3.908 -3.423 9.771 1.00 0.00 C ATOM 1401 O GLN B 40 -3.196 -2.546 9.279 1.00 0.00 O ATOM 1402 CB GLN B 40 -3.266 -4.976 11.637 1.00 0.00 C ATOM 1403 CG GLN B 40 -1.782 -5.023 11.312 1.00 0.00 C ATOM 1404 CD GLN B 40 -1.114 -6.279 11.838 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -1.125 -6.544 13.040 1.00 0.00 O ATOM 1406 NE2 GLN B 40 -0.529 -7.060 10.939 1.00 0.00 N ATOM 0 H GLN B 40 -5.595 -4.499 12.248 1.00 0.00 H new ATOM 0 HA GLN B 40 -3.389 -2.830 11.751 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -3.401 -5.168 12.702 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -3.771 -5.781 11.102 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -1.648 -4.969 10.232 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -1.292 -4.148 11.739 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -0.544 -6.802 9.952 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -0.064 -7.919 11.235 1.00 0.00 H new ATOM 1415 N GLN B 41 -4.686 -4.213 9.037 1.00 0.00 N ATOM 1416 CA GLN B 41 -4.746 -4.090 7.583 1.00 0.00 C ATOM 1417 C GLN B 41 -5.776 -3.043 7.171 1.00 0.00 C ATOM 1418 O GLN B 41 -6.801 -2.879 7.828 1.00 0.00 O ATOM 1419 CB GLN B 41 -5.066 -5.446 6.943 1.00 0.00 C ATOM 1420 CG GLN B 41 -6.390 -6.055 7.388 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.544 -5.715 6.462 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -7.908 -4.552 6.295 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -8.128 -6.739 5.849 1.00 0.00 N ATOM 0 H GLN B 41 -5.283 -4.944 9.424 1.00 0.00 H new ATOM 0 HA GLN B 41 -3.769 -3.763 7.226 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.080 -5.328 5.859 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.262 -6.144 7.178 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -6.284 -7.138 7.444 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.624 -5.705 8.394 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -7.796 -7.689 6.014 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -8.908 -6.575 5.213 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.497 -2.332 6.082 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.407 -1.302 5.594 1.00 0.00 C ATOM 1434 C ARG B 42 -6.415 -1.253 4.070 1.00 0.00 C ATOM 1435 O ARG B 42 -5.367 -1.115 3.436 1.00 0.00 O ATOM 1436 CB ARG B 42 -6.006 0.064 6.150 1.00 0.00 C ATOM 1437 CG ARG B 42 -6.069 0.153 7.666 1.00 0.00 C ATOM 1438 CD ARG B 42 -5.724 1.550 8.155 1.00 0.00 C ATOM 1439 NE ARG B 42 -4.390 1.966 7.727 1.00 0.00 N ATOM 1440 CZ ARG B 42 -3.854 3.145 8.028 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -4.533 4.020 8.758 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -2.638 3.451 7.598 1.00 0.00 N ATOM 0 H ARG B 42 -4.652 -2.450 5.523 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.411 -1.552 5.937 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.992 0.295 5.824 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.659 0.825 5.723 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -7.069 -0.117 8.006 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -5.378 -0.568 8.103 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -6.463 2.258 7.779 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -5.781 1.577 9.243 1.00 0.00 H new ATOM 0 HE ARG B 42 -3.840 1.316 7.166 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -5.469 3.789 9.090 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -4.119 4.924 8.987 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.113 2.782 7.036 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -2.228 4.356 7.830 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.609 -1.361 3.488 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.759 -1.321 2.037 1.00 0.00 C ATOM 1458 C LEU B 43 -7.925 0.115 1.546 1.00 0.00 C ATOM 1459 O LEU B 43 -8.924 0.770 1.842 1.00 0.00 O ATOM 1460 CB LEU B 43 -8.963 -2.161 1.592 1.00 0.00 C ATOM 1461 CG LEU B 43 -8.822 -3.678 1.767 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -8.767 -4.057 3.241 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -9.970 -4.398 1.077 1.00 0.00 C ATOM 0 H LEU B 43 -8.484 -1.477 3.999 1.00 0.00 H new ATOM 0 HA LEU B 43 -6.853 -1.740 1.599 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.839 -1.830 2.150 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.158 -1.953 0.540 1.00 0.00 H new ATOM 0 HG LEU B 43 -7.884 -3.987 1.304 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -8.667 -5.138 3.335 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.911 -3.571 3.710 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -9.683 -3.733 3.734 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -9.857 -5.474 1.210 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.916 -4.076 1.513 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.961 -4.161 0.013 1.00 0.00 H new ATOM 1475 N ILE B 44 -6.944 0.595 0.787 1.00 0.00 N ATOM 1476 CA ILE B 44 -6.980 1.949 0.246 1.00 0.00 C ATOM 1477 C ILE B 44 -7.402 1.943 -1.221 1.00 0.00 C ATOM 1478 O ILE B 44 -7.031 1.049 -1.983 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.611 2.648 0.380 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.274 2.871 1.853 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.603 3.973 -0.373 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -3.827 3.227 2.091 1.00 0.00 C ATOM 0 H ILE B 44 -6.112 0.063 0.532 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.716 2.504 0.829 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.851 2.002 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -5.906 3.668 2.246 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.515 1.968 2.414 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.628 4.447 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.803 3.792 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.373 4.628 0.035 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.659 3.371 3.158 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.190 2.420 1.729 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.586 4.147 1.558 1.00 0.00 H new ATOM 1494 N PHE B 45 -8.174 2.951 -1.605 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.648 3.083 -2.975 1.00 0.00 C ATOM 1496 C PHE B 45 -9.075 4.520 -3.244 1.00 0.00 C ATOM 1497 O PHE B 45 -9.593 5.198 -2.355 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.816 2.128 -3.238 1.00 0.00 C ATOM 1499 CG PHE B 45 -10.288 2.132 -4.666 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -9.384 2.013 -5.711 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.636 2.255 -4.962 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.816 2.016 -7.024 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -12.074 2.259 -6.273 1.00 0.00 C ATOM 1504 CZ PHE B 45 -11.162 2.139 -7.305 1.00 0.00 C ATOM 0 H PHE B 45 -8.487 3.694 -0.981 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.832 2.822 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -9.515 1.116 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.648 2.398 -2.588 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -8.330 1.917 -5.496 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -12.353 2.349 -4.159 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -9.102 1.922 -7.829 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -13.127 2.356 -6.491 1.00 0.00 H new ATOM 0 HZ PHE B 45 -11.502 2.141 -8.330 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.837 4.988 -4.462 1.00 0.00 N ATOM 1515 CA ALA B 46 -9.184 6.355 -4.831 1.00 0.00 C ATOM 1516 C ALA B 46 -8.530 7.347 -3.875 1.00 0.00 C ATOM 1517 O ALA B 46 -9.099 8.390 -3.552 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.696 6.535 -4.841 1.00 0.00 C ATOM 0 H ALA B 46 -8.406 4.444 -5.210 1.00 0.00 H new ATOM 0 HA ALA B 46 -8.809 6.549 -5.836 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.938 7.561 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -11.139 5.849 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -11.094 6.324 -3.849 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.325 7.005 -3.430 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.587 7.857 -2.517 1.00 0.00 C ATOM 1526 C GLY B 47 -7.193 7.923 -1.127 1.00 0.00 C ATOM 1527 O GLY B 47 -7.051 8.932 -0.436 1.00 0.00 O ATOM 0 H GLY B 47 -6.843 6.144 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.562 7.493 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -6.538 8.864 -2.932 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.856 6.845 -0.704 1.00 0.00 N ATOM 1532 CA LYS B 48 -8.464 6.804 0.626 1.00 0.00 C ATOM 1533 C LYS B 48 -9.010 5.419 0.956 1.00 0.00 C ATOM 1534 O LYS B 48 -9.644 4.774 0.123 1.00 0.00 O ATOM 1535 CB LYS B 48 -9.583 7.840 0.748 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.355 7.740 2.056 1.00 0.00 C ATOM 1537 CD LYS B 48 -11.262 8.940 2.268 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.346 9.020 1.203 1.00 0.00 C ATOM 1539 NZ LYS B 48 -13.249 10.185 1.411 1.00 0.00 N ATOM 0 H LYS B 48 -7.985 5.997 -1.257 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.677 7.041 1.342 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.155 8.839 0.662 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -10.275 7.717 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.952 6.828 2.057 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.654 7.663 2.887 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.724 8.878 3.253 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.667 9.853 2.252 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -11.883 9.092 0.219 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.932 8.101 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.107 10.067 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.512 10.245 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -12.760 11.058 1.128 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.771 4.978 2.187 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.248 3.676 2.638 1.00 0.00 C ATOM 1555 C GLN B 49 -10.766 3.594 2.507 1.00 0.00 C ATOM 1556 O GLN B 49 -11.488 4.451 3.014 1.00 0.00 O ATOM 1557 CB GLN B 49 -8.839 3.435 4.092 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.298 2.092 4.641 1.00 0.00 C ATOM 1559 CD GLN B 49 -8.941 1.891 6.105 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -9.222 0.841 6.681 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -8.324 2.897 6.719 1.00 0.00 N ATOM 0 H GLN B 49 -8.250 5.503 2.889 1.00 0.00 H new ATOM 0 HA GLN B 49 -8.796 2.907 2.011 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -7.754 3.498 4.170 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.250 4.231 4.713 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.378 2.008 4.522 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -8.849 1.293 4.051 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -8.108 3.752 6.206 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -8.067 2.813 7.702 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.243 2.560 1.823 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.675 2.375 1.630 1.00 0.00 C ATOM 1572 C LEU B 50 -13.349 1.985 2.942 1.00 0.00 C ATOM 1573 O LEU B 50 -12.937 1.031 3.603 1.00 0.00 O ATOM 1574 CB LEU B 50 -12.930 1.307 0.564 1.00 0.00 C ATOM 1575 CG LEU B 50 -12.261 1.573 -0.788 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -12.562 0.448 -1.765 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.714 2.910 -1.355 1.00 0.00 C ATOM 0 H LEU B 50 -10.661 1.840 1.395 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.103 3.319 1.292 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.582 0.346 0.943 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -14.005 1.218 0.410 1.00 0.00 H new ATOM 0 HG LEU B 50 -11.183 1.613 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -12.078 0.656 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -12.185 -0.493 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -13.639 0.373 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -12.228 3.081 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.795 2.899 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.444 3.709 -0.664 1.00 0.00 H new ATOM 1589 N GLU B 51 -14.383 2.731 3.316 1.00 0.00 N ATOM 1590 CA GLU B 51 -15.108 2.463 4.554 1.00 0.00 C ATOM 1591 C GLU B 51 -15.861 1.140 4.473 1.00 0.00 C ATOM 1592 O GLU B 51 -16.639 0.911 3.547 1.00 0.00 O ATOM 1593 CB GLU B 51 -16.085 3.600 4.855 1.00 0.00 C ATOM 1594 CG GLU B 51 -15.410 4.949 5.045 1.00 0.00 C ATOM 1595 CD GLU B 51 -16.396 6.058 5.358 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -17.610 5.771 5.431 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -15.955 7.213 5.533 1.00 0.00 O ATOM 0 H GLU B 51 -14.738 3.524 2.782 1.00 0.00 H new ATOM 0 HA GLU B 51 -14.379 2.395 5.361 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -16.804 3.675 4.040 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -16.648 3.355 5.756 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -14.683 4.876 5.854 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -14.857 5.204 4.141 1.00 0.00 H new ATOM 1604 N ASP B 52 -15.626 0.275 5.455 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.284 -1.025 5.506 1.00 0.00 C ATOM 1606 C ASP B 52 -17.758 -0.873 5.866 1.00 0.00 C ATOM 1607 O ASP B 52 -18.131 0.019 6.628 1.00 0.00 O ATOM 1608 CB ASP B 52 -15.585 -1.939 6.512 1.00 0.00 C ATOM 1609 CG ASP B 52 -15.544 -1.346 7.909 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -16.625 -1.118 8.490 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -14.430 -1.113 8.421 1.00 0.00 O ATOM 0 H ASP B 52 -14.984 0.452 6.227 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.217 -1.478 4.517 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -16.100 -2.899 6.544 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -14.567 -2.134 6.174 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.594 -1.747 5.313 1.00 0.00 N ATOM 1617 CA GLY B 53 -20.017 -1.686 5.590 1.00 0.00 C ATOM 1618 C GLY B 53 -20.819 -1.197 4.401 1.00 0.00 C ATOM 1619 O GLY B 53 -21.953 -1.629 4.189 1.00 0.00 O ATOM 0 H GLY B 53 -18.312 -2.495 4.679 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.370 -2.676 5.880 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.191 -1.024 6.438 1.00 0.00 H new ATOM 1623 N ARG B 54 -20.232 -0.289 3.627 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.897 0.267 2.453 1.00 0.00 C ATOM 1625 C ARG B 54 -21.106 -0.805 1.379 1.00 0.00 C ATOM 1626 O ARG B 54 -21.384 -1.962 1.691 1.00 0.00 O ATOM 1627 CB ARG B 54 -20.077 1.430 1.890 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.765 2.516 2.910 1.00 0.00 C ATOM 1629 CD ARG B 54 -21.030 3.093 3.524 1.00 0.00 C ATOM 1630 NE ARG B 54 -21.940 3.624 2.514 1.00 0.00 N ATOM 1631 CZ ARG B 54 -23.104 4.200 2.798 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -23.493 4.329 4.061 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -23.880 4.647 1.821 1.00 0.00 N ATOM 0 H ARG B 54 -19.295 0.078 3.792 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.877 0.635 2.756 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -19.141 1.041 1.490 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -20.620 1.874 1.056 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.134 2.105 3.697 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -19.197 3.313 2.430 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -21.539 2.319 4.098 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -20.764 3.885 4.223 1.00 0.00 H new ATOM 0 HE ARG B 54 -21.667 3.549 1.534 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -22.898 3.986 4.815 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -24.386 4.771 4.277 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -23.584 4.549 0.850 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -24.773 5.089 2.040 1.00 0.00 H new ATOM 1647 N THR B 55 -20.968 -0.413 0.113 1.00 0.00 N ATOM 1648 CA THR B 55 -21.143 -1.337 -1.006 1.00 0.00 C ATOM 1649 C THR B 55 -20.297 -0.909 -2.201 1.00 0.00 C ATOM 1650 O THR B 55 -20.118 0.285 -2.447 1.00 0.00 O ATOM 1651 CB THR B 55 -22.617 -1.420 -1.451 1.00 0.00 C ATOM 1652 OG1 THR B 55 -23.104 -0.113 -1.778 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.491 -2.034 -0.365 1.00 0.00 C ATOM 0 H THR B 55 -20.735 0.541 -0.163 1.00 0.00 H new ATOM 0 HA THR B 55 -20.821 -2.318 -0.656 1.00 0.00 H new ATOM 0 HB THR B 55 -22.665 -2.061 -2.331 1.00 0.00 H new ATOM 0 HG1 THR B 55 -24.040 -0.174 -2.061 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.524 -2.078 -0.711 1.00 0.00 H new ATOM 0 HG22 THR B 55 -23.140 -3.041 -0.142 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.436 -1.423 0.536 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.783 -1.886 -2.944 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.962 -1.601 -4.118 1.00 0.00 C ATOM 1663 C LEU B 56 -19.712 -0.698 -5.091 1.00 0.00 C ATOM 1664 O LEU B 56 -19.120 0.168 -5.735 1.00 0.00 O ATOM 1665 CB LEU B 56 -18.553 -2.900 -4.821 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.588 -3.794 -4.037 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -17.416 -5.136 -4.732 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -16.238 -3.110 -3.877 1.00 0.00 C ATOM 0 H LEU B 56 -19.920 -2.879 -2.755 1.00 0.00 H new ATOM 0 HA LEU B 56 -18.062 -1.086 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -19.454 -3.473 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -18.093 -2.647 -5.776 1.00 0.00 H new ATOM 0 HG LEU B 56 -18.012 -3.967 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.727 -5.757 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -18.382 -5.636 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -17.016 -4.978 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.565 -3.760 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.813 -2.908 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -16.367 -2.171 -3.338 1.00 0.00 H new ATOM 1680 N SER B 57 -21.020 -0.910 -5.190 1.00 0.00 N ATOM 1681 CA SER B 57 -21.862 -0.119 -6.080 1.00 0.00 C ATOM 1682 C SER B 57 -21.837 1.359 -5.695 1.00 0.00 C ATOM 1683 O SER B 57 -21.800 2.233 -6.561 1.00 0.00 O ATOM 1684 CB SER B 57 -23.301 -0.639 -6.050 1.00 0.00 C ATOM 1685 OG SER B 57 -23.362 -1.997 -6.451 1.00 0.00 O ATOM 0 H SER B 57 -21.521 -1.625 -4.663 1.00 0.00 H new ATOM 0 HA SER B 57 -21.465 -0.217 -7.090 1.00 0.00 H new ATOM 0 HB2 SER B 57 -23.707 -0.535 -5.044 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.923 -0.034 -6.709 1.00 0.00 H new ATOM 0 HG SER B 57 -22.453 -2.343 -6.573 1.00 0.00 H new ATOM 1691 N ASP B 58 -21.865 1.632 -4.391 1.00 0.00 N ATOM 1692 CA ASP B 58 -21.852 3.007 -3.896 1.00 0.00 C ATOM 1693 C ASP B 58 -20.626 3.760 -4.406 1.00 0.00 C ATOM 1694 O ASP B 58 -20.752 4.803 -5.047 1.00 0.00 O ATOM 1695 CB ASP B 58 -21.874 3.019 -2.365 1.00 0.00 C ATOM 1696 CG ASP B 58 -21.954 4.423 -1.790 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -22.032 5.388 -2.579 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -21.943 4.554 -0.548 1.00 0.00 O ATOM 0 H ASP B 58 -21.897 0.921 -3.660 1.00 0.00 H new ATOM 0 HA ASP B 58 -22.744 3.510 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -22.727 2.438 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -20.977 2.528 -1.989 1.00 0.00 H new ATOM 1703 N TYR B 59 -19.443 3.220 -4.128 1.00 0.00 N ATOM 1704 CA TYR B 59 -18.199 3.841 -4.569 1.00 0.00 C ATOM 1705 C TYR B 59 -18.062 3.752 -6.085 1.00 0.00 C ATOM 1706 O TYR B 59 -17.184 4.381 -6.676 1.00 0.00 O ATOM 1707 CB TYR B 59 -16.991 3.181 -3.899 1.00 0.00 C ATOM 1708 CG TYR B 59 -16.903 3.425 -2.406 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -17.859 2.914 -1.537 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -15.855 4.162 -1.869 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -17.774 3.134 -0.175 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -15.763 4.386 -0.508 1.00 0.00 C ATOM 1713 CZ TYR B 59 -16.725 3.871 0.335 1.00 0.00 C ATOM 1714 OH TYR B 59 -16.638 4.092 1.689 1.00 0.00 O ATOM 0 H TYR B 59 -19.320 2.356 -3.601 1.00 0.00 H new ATOM 0 HA TYR B 59 -18.229 4.891 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -17.031 2.107 -4.079 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -16.080 3.550 -4.371 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -18.681 2.336 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -15.099 4.567 -2.526 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -18.526 2.731 0.487 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.942 4.961 -0.107 1.00 0.00 H new ATOM 0 HH TYR B 59 -16.341 5.012 1.852 1.00 0.00 H new ATOM 1724 N ASN B 60 -18.930 2.954 -6.704 1.00 0.00 N ATOM 1725 CA ASN B 60 -18.908 2.765 -8.151 1.00 0.00 C ATOM 1726 C ASN B 60 -17.588 2.144 -8.585 1.00 0.00 C ATOM 1727 O ASN B 60 -17.033 2.492 -9.627 1.00 0.00 O ATOM 1728 CB ASN B 60 -19.126 4.097 -8.873 1.00 0.00 C ATOM 1729 CG ASN B 60 -20.444 4.749 -8.501 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -21.513 4.173 -8.703 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -20.372 5.957 -7.955 1.00 0.00 N ATOM 0 H ASN B 60 -19.659 2.427 -6.223 1.00 0.00 H new ATOM 0 HA ASN B 60 -19.720 2.089 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -18.308 4.776 -8.632 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -19.097 3.932 -9.950 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -21.225 6.446 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -19.463 6.396 -7.806 1.00 0.00 H new ATOM 1738 N ILE B 61 -17.091 1.218 -7.772 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.836 0.538 -8.058 1.00 0.00 C ATOM 1740 C ILE B 61 -15.960 -0.345 -9.295 1.00 0.00 C ATOM 1741 O ILE B 61 -16.847 -1.194 -9.378 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.387 -0.318 -6.854 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -15.107 0.580 -5.647 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.159 -1.149 -7.204 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.710 -0.177 -4.398 1.00 0.00 C ATOM 0 H ILE B 61 -17.542 0.921 -6.906 1.00 0.00 H new ATOM 0 HA ILE B 61 -15.085 1.305 -8.248 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.193 -1.006 -6.599 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.312 1.280 -5.904 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.996 1.173 -5.433 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -13.863 -1.743 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.394 -1.812 -8.036 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.340 -0.487 -7.487 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.528 0.529 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.513 -0.857 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -13.802 -0.748 -4.592 1.00 0.00 H new ATOM 1757 N GLN B 62 -15.063 -0.135 -10.253 1.00 0.00 N ATOM 1758 CA GLN B 62 -15.065 -0.906 -11.486 1.00 0.00 C ATOM 1759 C GLN B 62 -14.707 -2.361 -11.206 1.00 0.00 C ATOM 1760 O GLN B 62 -14.109 -2.675 -10.178 1.00 0.00 O ATOM 1761 CB GLN B 62 -14.076 -0.310 -12.486 1.00 0.00 C ATOM 1762 CG GLN B 62 -14.233 -0.859 -13.892 1.00 0.00 C ATOM 1763 CD GLN B 62 -13.237 -0.263 -14.869 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -13.201 0.949 -15.076 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -12.420 -1.117 -15.477 1.00 0.00 N ATOM 0 H GLN B 62 -14.324 0.566 -10.196 1.00 0.00 H new ATOM 0 HA GLN B 62 -16.067 -0.867 -11.913 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -14.204 0.772 -12.511 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -13.061 -0.503 -12.140 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -14.111 -1.942 -13.870 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -15.245 -0.660 -14.244 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -12.484 -2.115 -15.276 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -11.729 -0.774 -16.145 1.00 0.00 H new ATOM 1774 N LYS B 63 -15.076 -3.245 -12.122 1.00 0.00 N ATOM 1775 CA LYS B 63 -14.787 -4.664 -11.965 1.00 0.00 C ATOM 1776 C LYS B 63 -13.284 -4.927 -12.048 1.00 0.00 C ATOM 1777 O LYS B 63 -12.595 -4.384 -12.912 1.00 0.00 O ATOM 1778 CB LYS B 63 -15.525 -5.483 -13.026 1.00 0.00 C ATOM 1779 CG LYS B 63 -15.168 -5.103 -14.455 1.00 0.00 C ATOM 1780 CD LYS B 63 -15.905 -5.966 -15.474 1.00 0.00 C ATOM 1781 CE LYS B 63 -15.404 -7.405 -15.477 1.00 0.00 C ATOM 1782 NZ LYS B 63 -15.732 -8.122 -14.212 1.00 0.00 N ATOM 0 H LYS B 63 -15.575 -3.006 -12.979 1.00 0.00 H new ATOM 0 HA LYS B 63 -15.136 -4.971 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.303 -6.539 -12.875 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -16.599 -5.359 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.412 -4.054 -14.623 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.093 -5.208 -14.601 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.972 -5.955 -15.253 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -15.781 -5.537 -16.468 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -15.845 -7.939 -16.319 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -14.324 -7.411 -15.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.004 -9.102 -14.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -14.900 -8.124 -13.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.521 -7.641 -13.735 1.00 0.00 H new ATOM 1796 N GLU B 64 -12.789 -5.766 -11.141 1.00 0.00 N ATOM 1797 CA GLU B 64 -11.371 -6.118 -11.098 1.00 0.00 C ATOM 1798 C GLU B 64 -10.494 -4.894 -10.831 1.00 0.00 C ATOM 1799 O GLU B 64 -9.432 -4.738 -11.434 1.00 0.00 O ATOM 1800 CB GLU B 64 -10.947 -6.793 -12.405 1.00 0.00 C ATOM 1801 CG GLU B 64 -11.726 -8.061 -12.716 1.00 0.00 C ATOM 1802 CD GLU B 64 -11.296 -8.703 -14.021 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -11.411 -8.042 -15.074 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -10.845 -9.867 -13.989 1.00 0.00 O ATOM 0 H GLU B 64 -13.353 -6.218 -10.421 1.00 0.00 H new ATOM 0 HA GLU B 64 -11.232 -6.817 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.074 -6.088 -13.226 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.885 -7.033 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.592 -8.774 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.790 -7.827 -12.763 1.00 0.00 H new ATOM 1811 N SER B 65 -10.936 -4.037 -9.914 1.00 0.00 N ATOM 1812 CA SER B 65 -10.178 -2.838 -9.562 1.00 0.00 C ATOM 1813 C SER B 65 -9.000 -3.187 -8.657 1.00 0.00 C ATOM 1814 O SER B 65 -9.096 -4.078 -7.810 1.00 0.00 O ATOM 1815 CB SER B 65 -11.077 -1.807 -8.875 1.00 0.00 C ATOM 1816 OG SER B 65 -12.057 -1.309 -9.768 1.00 0.00 O ATOM 0 H SER B 65 -11.811 -4.149 -9.403 1.00 0.00 H new ATOM 0 HA SER B 65 -9.793 -2.405 -10.485 1.00 0.00 H new ATOM 0 HB2 SER B 65 -11.564 -2.262 -8.013 1.00 0.00 H new ATOM 0 HB3 SER B 65 -10.470 -0.983 -8.500 1.00 0.00 H new ATOM 0 HG SER B 65 -12.932 -1.686 -9.537 1.00 0.00 H new ATOM 1822 N THR B 66 -7.888 -2.481 -8.848 1.00 0.00 N ATOM 1823 CA THR B 66 -6.685 -2.711 -8.056 1.00 0.00 C ATOM 1824 C THR B 66 -6.743 -1.963 -6.726 1.00 0.00 C ATOM 1825 O THR B 66 -6.241 -0.844 -6.610 1.00 0.00 O ATOM 1826 CB THR B 66 -5.419 -2.285 -8.825 1.00 0.00 C ATOM 1827 OG1 THR B 66 -5.350 -2.981 -10.076 1.00 0.00 O ATOM 1828 CG2 THR B 66 -4.164 -2.576 -8.014 1.00 0.00 C ATOM 0 H THR B 66 -7.796 -1.743 -9.546 1.00 0.00 H new ATOM 0 HA THR B 66 -6.637 -3.782 -7.858 1.00 0.00 H new ATOM 0 HB THR B 66 -5.477 -1.211 -9.004 1.00 0.00 H new ATOM 0 HG1 THR B 66 -4.544 -2.704 -10.560 1.00 0.00 H new ATOM 0 HG21 THR B 66 -3.285 -2.266 -8.580 1.00 0.00 H new ATOM 0 HG22 THR B 66 -4.203 -2.026 -7.074 1.00 0.00 H new ATOM 0 HG23 THR B 66 -4.104 -3.645 -7.807 1.00 0.00 H new ATOM 1836 N LEU B 67 -7.352 -2.588 -5.722 1.00 0.00 N ATOM 1837 CA LEU B 67 -7.463 -1.980 -4.399 1.00 0.00 C ATOM 1838 C LEU B 67 -6.221 -2.271 -3.564 1.00 0.00 C ATOM 1839 O LEU B 67 -5.824 -3.421 -3.404 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.708 -2.493 -3.664 1.00 0.00 C ATOM 1841 CG LEU B 67 -10.046 -1.920 -4.142 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -10.332 -2.321 -5.579 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -11.172 -2.381 -3.229 1.00 0.00 C ATOM 0 H LEU B 67 -7.775 -3.513 -5.799 1.00 0.00 H new ATOM 0 HA LEU B 67 -7.553 -0.903 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.743 -3.578 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -8.598 -2.271 -2.602 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.982 -0.833 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -11.288 -1.900 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.541 -1.943 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.373 -3.408 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.117 -1.967 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -11.226 -3.470 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -10.980 -2.037 -2.213 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.617 -1.218 -3.032 1.00 0.00 N ATOM 1856 CA HIS B 68 -4.423 -1.350 -2.205 1.00 0.00 C ATOM 1857 C HIS B 68 -4.767 -1.830 -0.798 1.00 0.00 C ATOM 1858 O HIS B 68 -5.892 -1.657 -0.331 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.680 -0.019 -2.146 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.579 0.090 -3.153 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.354 -0.523 -2.993 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.520 0.736 -4.342 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -0.590 -0.257 -4.035 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.274 0.505 -4.868 1.00 0.00 N ATOM 0 H HIS B 68 -5.935 -0.257 -3.159 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.778 -2.101 -2.661 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -4.390 0.793 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -3.264 0.113 -1.147 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -1.081 -1.094 -2.193 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.307 1.323 -4.792 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.422 -0.604 -4.182 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.790 -2.439 -0.132 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.982 -2.949 1.222 1.00 0.00 C ATOM 1875 C LEU B 69 -2.721 -2.752 2.060 1.00 0.00 C ATOM 1876 O LEU B 69 -1.836 -3.608 2.082 1.00 0.00 O ATOM 1877 CB LEU B 69 -4.359 -4.435 1.183 1.00 0.00 C ATOM 1878 CG LEU B 69 -4.434 -5.130 2.547 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.431 -4.429 3.456 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -4.808 -6.594 2.374 1.00 0.00 C ATOM 0 H LEU B 69 -2.855 -2.592 -0.509 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.795 -2.389 1.684 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -5.326 -4.534 0.690 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -3.631 -4.961 0.566 1.00 0.00 H new ATOM 0 HG LEU B 69 -3.451 -5.075 3.015 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.467 -4.940 4.418 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.122 -3.394 3.606 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -6.419 -4.450 2.997 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -4.857 -7.075 3.351 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -5.779 -6.666 1.884 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -4.056 -7.092 1.762 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.648 -1.615 2.748 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.497 -1.300 3.590 1.00 0.00 C ATOM 1894 C VAL B 70 -1.529 -2.093 4.892 1.00 0.00 C ATOM 1895 O VAL B 70 -2.570 -2.204 5.538 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.433 0.204 3.917 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.270 0.506 4.850 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -1.319 1.018 2.639 1.00 0.00 C ATOM 0 H VAL B 70 -3.372 -0.897 2.739 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.609 -1.578 3.023 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.355 0.484 4.426 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.245 1.574 5.067 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.395 -0.050 5.779 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.665 0.211 4.374 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.275 2.079 2.886 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.413 0.732 2.105 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.187 0.828 2.008 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.378 -2.640 5.267 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.264 -3.422 6.491 1.00 0.00 C ATOM 1910 C LEU B 71 0.367 -2.595 7.609 1.00 0.00 C ATOM 1911 O LEU B 71 1.452 -2.038 7.441 1.00 0.00 O ATOM 1912 CB LEU B 71 0.576 -4.674 6.233 1.00 0.00 C ATOM 1913 CG LEU B 71 0.682 -5.639 7.413 1.00 0.00 C ATOM 1914 CD1 LEU B 71 -0.676 -6.249 7.727 1.00 0.00 C ATOM 1915 CD2 LEU B 71 1.705 -6.726 7.120 1.00 0.00 C ATOM 0 H LEU B 71 0.491 -2.556 4.739 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.266 -3.716 6.804 1.00 0.00 H new ATOM 0 HB2 LEU B 71 0.151 -5.209 5.384 1.00 0.00 H new ATOM 0 HB3 LEU B 71 1.581 -4.365 5.945 1.00 0.00 H new ATOM 0 HG LEU B 71 1.016 -5.081 8.288 1.00 0.00 H new ATOM 0 HD11 LEU B 71 -0.581 -6.934 8.570 1.00 0.00 H new ATOM 0 HD12 LEU B 71 -1.381 -5.457 7.980 1.00 0.00 H new ATOM 0 HD13 LEU B 71 -1.040 -6.794 6.856 1.00 0.00 H new ATOM 0 HD21 LEU B 71 1.768 -7.405 7.970 1.00 0.00 H new ATOM 0 HD22 LEU B 71 1.401 -7.282 6.233 1.00 0.00 H new ATOM 0 HD23 LEU B 71 2.680 -6.271 6.946 1.00 0.00 H new ATOM 1927 N ARG B 72 -0.312 -2.524 8.751 1.00 0.00 N ATOM 1928 CA ARG B 72 0.196 -1.771 9.894 1.00 0.00 C ATOM 1929 C ARG B 72 1.326 -2.532 10.580 1.00 0.00 C ATOM 1930 O ARG B 72 1.213 -3.731 10.836 1.00 0.00 O ATOM 1931 CB ARG B 72 -0.926 -1.490 10.895 1.00 0.00 C ATOM 1932 CG ARG B 72 -0.474 -0.687 12.104 1.00 0.00 C ATOM 1933 CD ARG B 72 -1.626 -0.423 13.063 1.00 0.00 C ATOM 1934 NE ARG B 72 -1.199 0.341 14.232 1.00 0.00 N ATOM 1935 CZ ARG B 72 -2.011 0.679 15.230 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -3.287 0.319 15.203 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -1.546 1.378 16.256 1.00 0.00 N ATOM 0 H ARG B 72 -1.212 -2.977 8.909 1.00 0.00 H new ATOM 0 HA ARG B 72 0.585 -0.821 9.527 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -1.727 -0.950 10.389 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -1.345 -2.437 11.234 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.317 -1.226 12.625 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.050 0.261 11.774 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -2.414 0.121 12.542 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -2.054 -1.372 13.386 1.00 0.00 H new ATOM 0 HE ARG B 72 -0.223 0.632 14.286 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -3.649 -0.219 14.415 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.907 0.580 15.970 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -0.565 1.657 16.280 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -2.169 1.637 17.021 1.00 0.00 H new ATOM 1951 N LEU B 73 2.415 -1.830 10.879 1.00 0.00 N ATOM 1952 CA LEU B 73 3.561 -2.446 11.537 1.00 0.00 C ATOM 1953 C LEU B 73 3.193 -2.918 12.940 1.00 0.00 C ATOM 1954 O LEU B 73 2.570 -2.186 13.709 1.00 0.00 O ATOM 1955 CB LEU B 73 4.732 -1.461 11.607 1.00 0.00 C ATOM 1956 CG LEU B 73 5.213 -0.920 10.257 1.00 0.00 C ATOM 1957 CD1 LEU B 73 6.401 0.012 10.449 1.00 0.00 C ATOM 1958 CD2 LEU B 73 5.578 -2.062 9.320 1.00 0.00 C ATOM 0 H LEU B 73 2.527 -0.837 10.676 1.00 0.00 H new ATOM 0 HA LEU B 73 3.862 -3.312 10.948 1.00 0.00 H new ATOM 0 HB2 LEU B 73 4.440 -0.619 12.234 1.00 0.00 H new ATOM 0 HB3 LEU B 73 5.570 -1.952 12.102 1.00 0.00 H new ATOM 0 HG LEU B 73 4.399 -0.353 9.805 1.00 0.00 H new ATOM 0 HD11 LEU B 73 6.730 0.387 9.480 1.00 0.00 H new ATOM 0 HD12 LEU B 73 6.108 0.850 11.082 1.00 0.00 H new ATOM 0 HD13 LEU B 73 7.218 -0.532 10.923 1.00 0.00 H new ATOM 0 HD21 LEU B 73 5.917 -1.656 8.367 1.00 0.00 H new ATOM 0 HD22 LEU B 73 6.375 -2.657 9.765 1.00 0.00 H new ATOM 0 HD23 LEU B 73 4.703 -2.692 9.156 1.00 0.00 H new ATOM 1970 N ARG B 74 3.582 -4.149 13.265 1.00 0.00 N ATOM 1971 CA ARG B 74 3.297 -4.724 14.575 1.00 0.00 C ATOM 1972 C ARG B 74 4.048 -3.984 15.676 1.00 0.00 C ATOM 1973 O ARG B 74 5.227 -3.663 15.528 1.00 0.00 O ATOM 1974 CB ARG B 74 3.665 -6.205 14.594 1.00 0.00 C ATOM 1975 CG ARG B 74 5.106 -6.456 14.216 1.00 0.00 C ATOM 1976 CD ARG B 74 5.443 -7.938 14.238 1.00 0.00 C ATOM 1977 NE ARG B 74 4.612 -8.703 13.311 1.00 0.00 N ATOM 1978 CZ ARG B 74 4.726 -10.015 13.128 1.00 0.00 C ATOM 1979 NH1 ARG B 74 5.635 -10.706 13.802 1.00 0.00 N ATOM 1980 NH2 ARG B 74 3.928 -10.637 12.272 1.00 0.00 N ATOM 0 H ARG B 74 4.096 -4.767 12.637 1.00 0.00 H new ATOM 0 HA ARG B 74 2.228 -4.620 14.763 1.00 0.00 H new ATOM 0 HB2 ARG B 74 3.480 -6.608 15.590 1.00 0.00 H new ATOM 0 HB3 ARG B 74 3.014 -6.745 13.906 1.00 0.00 H new ATOM 0 HG2 ARG B 74 5.296 -6.054 13.221 1.00 0.00 H new ATOM 0 HG3 ARG B 74 5.761 -5.924 14.905 1.00 0.00 H new ATOM 0 HD2 ARG B 74 6.493 -8.075 13.980 1.00 0.00 H new ATOM 0 HD3 ARG B 74 5.310 -8.325 15.248 1.00 0.00 H new ATOM 0 HE ARG B 74 3.904 -8.202 12.774 1.00 0.00 H new ATOM 0 HH11 ARG B 74 6.249 -10.231 14.463 1.00 0.00 H new ATOM 0 HH12 ARG B 74 5.720 -11.712 13.659 1.00 0.00 H new ATOM 0 HH21 ARG B 74 3.226 -10.109 11.753 1.00 0.00 H new ATOM 0 HH22 ARG B 74 4.016 -11.644 12.132 1.00 0.00 H new ATOM 1994 N GLY B 75 3.358 -3.719 16.782 1.00 0.00 N ATOM 1995 CA GLY B 75 3.976 -3.022 17.893 1.00 0.00 C ATOM 1996 C GLY B 75 4.419 -1.619 17.526 1.00 0.00 C ATOM 1997 O GLY B 75 3.654 -0.853 16.937 1.00 0.00 O ATOM 0 H GLY B 75 2.381 -3.975 16.927 1.00 0.00 H new ATOM 0 HA2 GLY B 75 3.271 -2.971 18.723 1.00 0.00 H new ATOM 0 HA3 GLY B 75 4.838 -3.592 18.241 1.00 0.00 H new ATOM 2001 N GLY B 76 5.657 -1.282 17.874 1.00 0.00 N ATOM 2002 CA GLY B 76 6.184 0.036 17.573 1.00 0.00 C ATOM 2003 C GLY B 76 5.437 1.141 18.293 1.00 0.00 C ATOM 2004 O GLY B 76 4.751 1.934 17.615 1.00 0.00 O ATOM 2005 OXT GLY B 76 5.538 1.213 19.536 1.00 0.00 O ATOM 0 H GLY B 76 6.306 -1.900 18.360 1.00 0.00 H new ATOM 0 HA2 GLY B 76 7.237 0.074 17.850 1.00 0.00 H new ATOM 0 HA3 GLY B 76 6.131 0.208 16.498 1.00 0.00 H new TER 2009 GLY B 76