USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1276 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 72 HIS : no HD1:sc= -0.19 X(o=-0.37,f=0) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.179 X(o=-0.37,f=0) USER MOD Set 2.1: A 74 HIS : no HD1:sc= -1.5! K(o=-1.4!,f=-4.5) USER MOD Set 2.2: A 76 HIS : no HD1:sc= 0.152 K(o=-1.4,f=-3.9) USER MOD Set 3.1: A 17 THR OG1 : rot -110:sc= 0.168 USER MOD Set 3.2: A 20 SER OG : rot 104:sc= 0.842 USER MOD Set 4.1: A 1 MET CE :methyl 146:sc= -0.235 (180deg=-1.44!) USER MOD Set 4.2: A 5 ASN :FLIP amide:sc= -0.123 F(o=-3.4!,f=-0.36) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.168 (180deg=-2.21!) USER MOD Single : A 4 SER OG : rot 170:sc= -0.714 USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= -1.34 (180deg=-2.64!) USER MOD Single : A 15 SER OG : rot 43:sc= -0.0281! USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -0.0686 (180deg=-0.786) USER MOD Single : A 25 MET CE :methyl 151:sc= -0.158 (180deg=-1.49) USER MOD Single : A 28 SER OG : rot -170:sc= 0.041 USER MOD Single : A 30 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.23) USER MOD Single : A 31 GLN : amide:sc= -0.331 K(o=-0.33,f=-2) USER MOD Single : A 33 CYS SG : rot 77:sc= 0.584 USER MOD Single : A 34 ASN : amide:sc= -0.0759 K(o=-0.076,f=-2.2!) USER MOD Single : A 37 GLN : amide:sc= -0.475 K(o=-0.48,f=-1.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 40:sc= 0.495 USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= -0.0214 (180deg=-0.447) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 164:sc= -4.55 (180deg=-5.56!) USER MOD Single : A 59 ASN : amide:sc= -1.77! C(o=-1.8!,f=-14!) USER MOD Single : A 68 ASN : amide:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0177) USER MOD Single : A 73 HIS : no HE2:sc= -0.675 K(o=-0.68,f=-1.8!) USER MOD Single : A 77 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.49) USER MOD Single : B 1 MET CE :methyl 141:sc= -0.124 (180deg=-0.96) USER MOD Single : B 1 MET N :NH3+ 159:sc= -0.117 (180deg=-0.593) USER MOD Single : B 4 SER OG : rot 106:sc= 1.2 USER MOD Single : B 5 ASN : amide:sc= 0.927 K(o=0.93,f=-0.26) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 SER OG : rot -68:sc= 0.207 USER MOD Single : B 25 MET CE :methyl 159:sc= -0.236 (180deg=-1.07) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 31 GLN : amide:sc= 0.612 K(o=0.61,f=-7.1!) USER MOD Single : B 33 CYS SG : rot 85:sc= 1.11 USER MOD Single : B 34 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-1.9!) USER MOD Single : B 37 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.24) USER MOD Single : B 38 SER OG : rot -82:sc= 0.0195 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.048) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 SER OG : rot -43:sc= 1.01 USER MOD Single : B 54 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.135) USER MOD Single : B 59 ASN : amide:sc= -2.26! C(o=-2.3!,f=-12!) USER MOD Single : B 68 ASN :FLIP amide:sc= -0.487 F(o=-6!,f=-0.49) USER MOD Single : B 69 LYS NZ :NH3+ 161:sc= -0.044 (180deg=-0.515) USER MOD Single : B 72 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-8.3!) USER MOD Single : B 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 74 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.28) USER MOD Single : B 75 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.5) USER MOD Single : B 76 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.74) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.492 13.548 7.934 1.00 0.00 N ATOM 2 CA MET A 1 10.955 13.119 9.255 1.00 0.00 C ATOM 3 C MET A 1 9.934 11.996 9.048 1.00 0.00 C ATOM 4 O MET A 1 8.773 12.127 9.375 1.00 0.00 O ATOM 5 CB MET A 1 10.291 14.315 9.947 1.00 0.00 C ATOM 6 CG MET A 1 11.165 15.562 9.767 1.00 0.00 C ATOM 7 SD MET A 1 10.928 16.239 8.102 1.00 0.00 S ATOM 8 CE MET A 1 9.215 16.798 8.301 1.00 0.00 C ATOM 0 H1 MET A 1 12.524 13.663 7.999 1.00 0.00 H new ATOM 0 H2 MET A 1 11.268 12.828 7.218 1.00 0.00 H new ATOM 0 H3 MET A 1 11.060 14.454 7.661 1.00 0.00 H new ATOM 0 HA MET A 1 11.767 12.751 9.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.301 14.488 9.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.154 14.104 11.008 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.905 16.311 10.515 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.214 15.308 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.059 17.707 7.719 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.536 16.021 7.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.019 17.003 9.353 1.00 0.00 H new ATOM 20 N GLU A 2 10.371 10.893 8.507 1.00 0.00 N ATOM 21 CA GLU A 2 9.456 9.739 8.264 1.00 0.00 C ATOM 22 C GLU A 2 8.335 10.137 7.298 1.00 0.00 C ATOM 23 O GLU A 2 7.853 11.252 7.304 1.00 0.00 O ATOM 24 CB GLU A 2 8.849 9.254 9.589 1.00 0.00 C ATOM 25 CG GLU A 2 9.944 9.157 10.675 1.00 0.00 C ATOM 26 CD GLU A 2 9.615 8.025 11.656 1.00 0.00 C ATOM 27 OE1 GLU A 2 9.724 6.877 11.257 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.259 8.325 12.783 1.00 0.00 O ATOM 0 H GLU A 2 11.337 10.739 8.218 1.00 0.00 H new ATOM 0 HA GLU A 2 10.035 8.930 7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.067 9.941 9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.380 8.280 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.913 8.976 10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.020 10.103 11.211 1.00 0.00 H new ATOM 35 N LEU A 3 7.929 9.218 6.466 1.00 0.00 N ATOM 36 CA LEU A 3 6.847 9.494 5.474 1.00 0.00 C ATOM 37 C LEU A 3 5.530 9.797 6.191 1.00 0.00 C ATOM 38 O LEU A 3 4.772 10.650 5.777 1.00 0.00 O ATOM 39 CB LEU A 3 6.678 8.262 4.571 1.00 0.00 C ATOM 40 CG LEU A 3 5.598 8.517 3.480 1.00 0.00 C ATOM 41 CD1 LEU A 3 6.031 7.874 2.157 1.00 0.00 C ATOM 42 CD2 LEU A 3 4.254 7.898 3.898 1.00 0.00 C ATOM 0 H LEU A 3 8.307 8.271 6.430 1.00 0.00 H new ATOM 0 HA LEU A 3 7.118 10.362 4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.629 8.020 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.394 7.400 5.175 1.00 0.00 H new ATOM 0 HG LEU A 3 5.486 9.595 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.270 8.056 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.977 8.308 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.153 6.800 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.510 8.086 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.375 6.823 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.923 8.346 4.835 1.00 0.00 H new ATOM 54 N SER A 4 5.242 9.095 7.250 1.00 0.00 N ATOM 55 CA SER A 4 3.960 9.332 7.974 1.00 0.00 C ATOM 56 C SER A 4 3.842 10.803 8.376 1.00 0.00 C ATOM 57 O SER A 4 2.775 11.382 8.334 1.00 0.00 O ATOM 58 CB SER A 4 3.930 8.477 9.238 1.00 0.00 C ATOM 59 OG SER A 4 4.934 8.936 10.132 1.00 0.00 O ATOM 0 H SER A 4 5.837 8.368 7.646 1.00 0.00 H new ATOM 0 HA SER A 4 3.132 9.068 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.949 8.538 9.710 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.099 7.430 8.988 1.00 0.00 H new ATOM 0 HG SER A 4 4.818 8.504 11.004 1.00 0.00 H new ATOM 65 N ASN A 5 4.922 11.417 8.775 1.00 0.00 N ATOM 66 CA ASN A 5 4.845 12.846 9.187 1.00 0.00 C ATOM 67 C ASN A 5 4.439 13.704 7.985 1.00 0.00 C ATOM 68 O ASN A 5 3.572 14.553 8.076 1.00 0.00 O ATOM 69 CB ASN A 5 6.215 13.298 9.699 1.00 0.00 C ATOM 70 CG ASN A 5 6.069 14.616 10.461 1.00 0.00 C ATOM 71 OD1 ASN A 5 6.761 15.656 10.082 1.00 0.00 O flip ATOM 72 ND2 ASN A 5 5.317 14.702 11.412 1.00 0.00 N flip ATOM 0 H ASN A 5 5.848 10.994 8.833 1.00 0.00 H new ATOM 0 HA ASN A 5 4.104 12.959 9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.641 12.535 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.903 13.424 8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.776 13.890 11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.227 15.586 11.913 1.00 0.00 H new ATOM 79 N GLU A 6 5.056 13.488 6.856 1.00 0.00 N ATOM 80 CA GLU A 6 4.705 14.289 5.649 1.00 0.00 C ATOM 81 C GLU A 6 3.313 13.870 5.151 1.00 0.00 C ATOM 82 O GLU A 6 2.498 14.692 4.780 1.00 0.00 O ATOM 83 CB GLU A 6 5.757 14.036 4.557 1.00 0.00 C ATOM 84 CG GLU A 6 5.812 15.229 3.599 1.00 0.00 C ATOM 85 CD GLU A 6 6.466 16.420 4.305 1.00 0.00 C ATOM 86 OE1 GLU A 6 7.225 16.191 5.232 1.00 0.00 O ATOM 87 OE2 GLU A 6 6.205 17.540 3.898 1.00 0.00 O ATOM 0 H GLU A 6 5.788 12.792 6.717 1.00 0.00 H new ATOM 0 HA GLU A 6 4.690 15.351 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.735 13.878 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.511 13.128 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.379 14.966 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.806 15.494 3.272 1.00 0.00 H new ATOM 94 N LEU A 7 3.044 12.594 5.143 1.00 0.00 N ATOM 95 CA LEU A 7 1.715 12.103 4.675 1.00 0.00 C ATOM 96 C LEU A 7 0.625 12.638 5.608 1.00 0.00 C ATOM 97 O LEU A 7 -0.435 13.048 5.176 1.00 0.00 O ATOM 98 CB LEU A 7 1.717 10.570 4.709 1.00 0.00 C ATOM 99 CG LEU A 7 0.404 10.011 4.137 1.00 0.00 C ATOM 100 CD1 LEU A 7 0.289 10.343 2.636 1.00 0.00 C ATOM 101 CD2 LEU A 7 0.387 8.488 4.333 1.00 0.00 C ATOM 0 H LEU A 7 3.691 11.865 5.442 1.00 0.00 H new ATOM 0 HA LEU A 7 1.521 12.448 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.561 10.190 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.849 10.224 5.734 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.440 10.464 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.646 9.941 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.304 11.424 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.128 9.899 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.540 8.080 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.235 8.045 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.454 8.257 5.396 1.00 0.00 H new ATOM 113 N LYS A 8 0.881 12.634 6.888 1.00 0.00 N ATOM 114 CA LYS A 8 -0.132 13.135 7.860 1.00 0.00 C ATOM 115 C LYS A 8 -0.443 14.603 7.554 1.00 0.00 C ATOM 116 O LYS A 8 -1.575 15.036 7.630 1.00 0.00 O ATOM 117 CB LYS A 8 0.426 13.013 9.279 1.00 0.00 C ATOM 118 CG LYS A 8 -0.652 13.403 10.291 1.00 0.00 C ATOM 119 CD LYS A 8 -0.111 13.198 11.708 1.00 0.00 C ATOM 120 CE LYS A 8 -1.194 13.554 12.725 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.462 15.017 12.676 1.00 0.00 N ATOM 0 H LYS A 8 1.752 12.304 7.304 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.045 12.546 7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.759 11.991 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.297 13.658 9.394 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.943 14.444 10.147 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.546 12.798 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.202 12.163 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.770 13.821 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.107 12.999 12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.876 13.266 13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.170 15.454 13.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.926 15.442 11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.478 15.179 12.527 1.00 0.00 H new ATOM 135 N VAL A 9 0.552 15.369 7.201 1.00 0.00 N ATOM 136 CA VAL A 9 0.310 16.804 6.882 1.00 0.00 C ATOM 137 C VAL A 9 -0.662 16.898 5.702 1.00 0.00 C ATOM 138 O VAL A 9 -1.587 17.682 5.713 1.00 0.00 O ATOM 139 CB VAL A 9 1.637 17.473 6.515 1.00 0.00 C ATOM 140 CG1 VAL A 9 1.376 18.874 5.948 1.00 0.00 C ATOM 141 CG2 VAL A 9 2.505 17.583 7.772 1.00 0.00 C ATOM 0 H VAL A 9 1.522 15.063 7.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.119 17.309 7.747 1.00 0.00 H new ATOM 0 HB VAL A 9 2.150 16.875 5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.325 19.344 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.754 18.796 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.863 19.479 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.453 18.059 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.987 18.182 8.521 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.694 16.587 8.172 1.00 0.00 H new ATOM 151 N GLU A 10 -0.461 16.105 4.688 1.00 0.00 N ATOM 152 CA GLU A 10 -1.376 16.154 3.515 1.00 0.00 C ATOM 153 C GLU A 10 -2.815 15.911 3.983 1.00 0.00 C ATOM 154 O GLU A 10 -3.739 16.572 3.548 1.00 0.00 O ATOM 155 CB GLU A 10 -0.967 15.067 2.515 1.00 0.00 C ATOM 156 CG GLU A 10 0.401 15.411 1.899 1.00 0.00 C ATOM 157 CD GLU A 10 0.218 16.371 0.717 1.00 0.00 C ATOM 158 OE1 GLU A 10 -0.774 17.079 0.701 1.00 0.00 O ATOM 159 OE2 GLU A 10 1.072 16.375 -0.153 1.00 0.00 O ATOM 0 H GLU A 10 0.297 15.425 4.621 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.314 17.131 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.918 14.100 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.718 14.981 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.044 15.867 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.898 14.500 1.565 1.00 0.00 H new ATOM 166 N ARG A 11 -3.015 14.980 4.875 1.00 0.00 N ATOM 167 CA ARG A 11 -4.395 14.717 5.367 1.00 0.00 C ATOM 168 C ARG A 11 -4.941 16.003 5.992 1.00 0.00 C ATOM 169 O ARG A 11 -6.068 16.397 5.758 1.00 0.00 O ATOM 170 CB ARG A 11 -4.357 13.605 6.420 1.00 0.00 C ATOM 171 CG ARG A 11 -5.777 13.068 6.652 1.00 0.00 C ATOM 172 CD ARG A 11 -5.751 11.884 7.638 1.00 0.00 C ATOM 173 NE ARG A 11 -6.757 10.871 7.213 1.00 0.00 N ATOM 174 CZ ARG A 11 -7.178 9.974 8.060 1.00 0.00 C ATOM 175 NH1 ARG A 11 -6.731 9.972 9.285 1.00 0.00 N ATOM 176 NH2 ARG A 11 -8.048 9.080 7.680 1.00 0.00 N ATOM 0 H ARG A 11 -2.286 14.393 5.282 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.036 14.404 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.702 12.799 6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.945 13.988 7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.413 13.862 7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.212 12.750 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.757 11.438 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.971 12.231 8.648 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.117 10.879 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.051 10.673 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.061 9.270 9.947 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.398 9.084 6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.379 8.377 8.341 1.00 0.00 H new ATOM 190 N ILE A 12 -4.136 16.661 6.782 1.00 0.00 N ATOM 191 CA ILE A 12 -4.578 17.931 7.425 1.00 0.00 C ATOM 192 C ILE A 12 -4.643 19.043 6.374 1.00 0.00 C ATOM 193 O ILE A 12 -5.371 20.005 6.522 1.00 0.00 O ATOM 194 CB ILE A 12 -3.573 18.319 8.508 1.00 0.00 C ATOM 195 CG1 ILE A 12 -3.584 17.261 9.610 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.957 19.676 9.102 1.00 0.00 C ATOM 197 CD1 ILE A 12 -2.384 17.476 10.531 1.00 0.00 C ATOM 0 H ILE A 12 -3.185 16.371 7.011 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.565 17.792 7.867 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.576 18.384 8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.510 17.324 10.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.546 16.263 9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.239 19.951 9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.952 20.432 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.954 19.613 9.539 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.390 16.722 11.318 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.463 17.391 9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.442 18.468 10.978 1.00 0.00 H new ATOM 209 N ARG A 13 -3.882 18.927 5.317 1.00 0.00 N ATOM 210 CA ARG A 13 -3.900 19.985 4.267 1.00 0.00 C ATOM 211 C ARG A 13 -5.322 20.112 3.722 1.00 0.00 C ATOM 212 O ARG A 13 -5.844 21.200 3.573 1.00 0.00 O ATOM 213 CB ARG A 13 -2.929 19.597 3.145 1.00 0.00 C ATOM 214 CG ARG A 13 -2.856 20.710 2.097 1.00 0.00 C ATOM 215 CD ARG A 13 -1.860 20.303 1.008 1.00 0.00 C ATOM 216 NE ARG A 13 -0.481 20.267 1.578 1.00 0.00 N ATOM 217 CZ ARG A 13 0.254 21.350 1.608 1.00 0.00 C ATOM 218 NH1 ARG A 13 -0.206 22.473 1.129 1.00 0.00 N ATOM 219 NH2 ARG A 13 1.456 21.306 2.117 1.00 0.00 N ATOM 0 H ARG A 13 -3.250 18.147 5.137 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.589 20.943 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.938 19.413 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.256 18.668 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.840 20.883 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.544 21.645 2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.124 19.324 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.903 21.010 0.179 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.108 19.392 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.143 22.511 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.372 23.313 1.155 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.820 20.429 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.031 22.148 2.142 1.00 0.00 H new ATOM 233 N LEU A 14 -5.965 19.004 3.455 1.00 0.00 N ATOM 234 CA LEU A 14 -7.373 19.043 2.954 1.00 0.00 C ATOM 235 C LEU A 14 -8.320 18.723 4.116 1.00 0.00 C ATOM 236 O LEU A 14 -9.522 18.655 3.952 1.00 0.00 O ATOM 237 CB LEU A 14 -7.556 18.004 1.847 1.00 0.00 C ATOM 238 CG LEU A 14 -6.677 18.359 0.639 1.00 0.00 C ATOM 239 CD1 LEU A 14 -6.811 17.256 -0.414 1.00 0.00 C ATOM 240 CD2 LEU A 14 -7.117 19.709 0.036 1.00 0.00 C ATOM 0 H LEU A 14 -5.573 18.068 3.563 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.594 20.033 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.293 17.014 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.603 17.963 1.545 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.639 18.443 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.190 17.499 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.486 16.306 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.852 17.177 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.485 19.948 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.156 19.642 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.021 20.492 0.788 1.00 0.00 H new ATOM 252 N SER A 15 -7.782 18.530 5.290 1.00 0.00 N ATOM 253 CA SER A 15 -8.635 18.217 6.474 1.00 0.00 C ATOM 254 C SER A 15 -9.647 17.113 6.135 1.00 0.00 C ATOM 255 O SER A 15 -10.815 17.376 5.932 1.00 0.00 O ATOM 256 CB SER A 15 -9.385 19.481 6.906 1.00 0.00 C ATOM 257 OG SER A 15 -9.868 20.156 5.752 1.00 0.00 O ATOM 0 H SER A 15 -6.781 18.576 5.481 1.00 0.00 H new ATOM 0 HA SER A 15 -7.996 17.867 7.285 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.215 19.219 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.723 20.135 7.474 1.00 0.00 H new ATOM 0 HG SER A 15 -10.245 19.504 5.125 1.00 0.00 H new ATOM 263 N LEU A 16 -9.212 15.875 6.093 1.00 0.00 N ATOM 264 CA LEU A 16 -10.157 14.745 5.793 1.00 0.00 C ATOM 265 C LEU A 16 -10.644 14.123 7.108 1.00 0.00 C ATOM 266 O LEU A 16 -10.008 14.235 8.138 1.00 0.00 O ATOM 267 CB LEU A 16 -9.456 13.663 4.942 1.00 0.00 C ATOM 268 CG LEU A 16 -9.651 13.929 3.442 1.00 0.00 C ATOM 269 CD1 LEU A 16 -8.838 15.144 3.019 1.00 0.00 C ATOM 270 CD2 LEU A 16 -9.184 12.704 2.657 1.00 0.00 C ATOM 0 H LEU A 16 -8.244 15.596 6.253 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.005 15.138 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.392 13.645 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.855 12.681 5.196 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.705 14.121 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.982 15.325 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.167 16.016 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.782 14.962 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.318 12.883 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.130 12.519 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.770 11.835 2.956 1.00 0.00 H new ATOM 282 N THR A 17 -11.772 13.458 7.066 1.00 0.00 N ATOM 283 CA THR A 17 -12.327 12.808 8.294 1.00 0.00 C ATOM 284 C THR A 17 -12.055 11.302 8.236 1.00 0.00 C ATOM 285 O THR A 17 -12.271 10.659 7.228 1.00 0.00 O ATOM 286 CB THR A 17 -13.838 13.048 8.355 1.00 0.00 C ATOM 287 OG1 THR A 17 -14.389 12.867 7.060 1.00 0.00 O ATOM 288 CG2 THR A 17 -14.114 14.474 8.834 1.00 0.00 C ATOM 0 H THR A 17 -12.337 13.337 6.226 1.00 0.00 H new ATOM 0 HA THR A 17 -11.853 13.232 9.179 1.00 0.00 H new ATOM 0 HB THR A 17 -14.293 12.343 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.678 13.733 6.704 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.190 14.642 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.686 14.614 9.827 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.663 15.184 8.141 1.00 0.00 H new ATOM 296 N ALA A 18 -11.585 10.736 9.313 1.00 0.00 N ATOM 297 CA ALA A 18 -11.298 9.275 9.328 1.00 0.00 C ATOM 298 C ALA A 18 -12.599 8.489 9.148 1.00 0.00 C ATOM 299 O ALA A 18 -12.636 7.472 8.484 1.00 0.00 O ATOM 300 CB ALA A 18 -10.653 8.903 10.666 1.00 0.00 C ATOM 0 H ALA A 18 -11.387 11.225 10.186 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.618 9.029 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.441 7.834 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.724 9.460 10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.335 9.150 11.480 1.00 0.00 H new ATOM 306 N LYS A 19 -13.666 8.949 9.739 1.00 0.00 N ATOM 307 CA LYS A 19 -14.964 8.228 9.609 1.00 0.00 C ATOM 308 C LYS A 19 -15.419 8.217 8.146 1.00 0.00 C ATOM 309 O LYS A 19 -15.822 7.199 7.620 1.00 0.00 O ATOM 310 CB LYS A 19 -16.016 8.943 10.456 1.00 0.00 C ATOM 311 CG LYS A 19 -17.322 8.148 10.433 1.00 0.00 C ATOM 312 CD LYS A 19 -18.344 8.833 11.341 1.00 0.00 C ATOM 313 CE LYS A 19 -19.642 8.027 11.346 1.00 0.00 C ATOM 314 NZ LYS A 19 -20.196 7.975 9.965 1.00 0.00 N ATOM 0 H LYS A 19 -13.696 9.795 10.308 1.00 0.00 H new ATOM 0 HA LYS A 19 -14.839 7.200 9.950 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.661 9.049 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.184 9.949 10.072 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.706 8.086 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.146 7.126 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.950 8.914 12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.535 9.848 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.455 7.018 11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.364 8.484 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.212 8.197 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.704 8.670 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.060 7.022 9.572 1.00 0.00 H new ATOM 328 N SER A 20 -15.370 9.343 7.487 1.00 0.00 N ATOM 329 CA SER A 20 -15.815 9.395 6.065 1.00 0.00 C ATOM 330 C SER A 20 -14.953 8.468 5.209 1.00 0.00 C ATOM 331 O SER A 20 -15.448 7.742 4.370 1.00 0.00 O ATOM 332 CB SER A 20 -15.679 10.825 5.542 1.00 0.00 C ATOM 333 OG SER A 20 -16.382 11.710 6.404 1.00 0.00 O ATOM 0 H SER A 20 -15.041 10.229 7.872 1.00 0.00 H new ATOM 0 HA SER A 20 -16.855 9.074 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.627 11.107 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.076 10.893 4.529 1.00 0.00 H new ATOM 0 HG SER A 20 -15.743 12.195 6.967 1.00 0.00 H new ATOM 339 N VAL A 21 -13.664 8.492 5.401 1.00 0.00 N ATOM 340 CA VAL A 21 -12.772 7.624 4.585 1.00 0.00 C ATOM 341 C VAL A 21 -13.093 6.149 4.850 1.00 0.00 C ATOM 342 O VAL A 21 -13.213 5.359 3.935 1.00 0.00 O ATOM 343 CB VAL A 21 -11.317 7.907 4.956 1.00 0.00 C ATOM 344 CG1 VAL A 21 -10.399 6.923 4.226 1.00 0.00 C ATOM 345 CG2 VAL A 21 -10.963 9.338 4.546 1.00 0.00 C ATOM 0 H VAL A 21 -13.189 9.076 6.089 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.929 7.837 3.528 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.185 7.790 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.362 7.127 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.654 5.904 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.526 7.037 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.926 9.546 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.095 9.451 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.616 10.038 5.067 1.00 0.00 H new ATOM 355 N ALA A 22 -13.227 5.771 6.090 1.00 0.00 N ATOM 356 CA ALA A 22 -13.533 4.346 6.406 1.00 0.00 C ATOM 357 C ALA A 22 -14.897 3.963 5.823 1.00 0.00 C ATOM 358 O ALA A 22 -15.056 2.920 5.221 1.00 0.00 O ATOM 359 CB ALA A 22 -13.557 4.161 7.925 1.00 0.00 C ATOM 0 H ALA A 22 -13.138 6.386 6.899 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.766 3.707 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.780 3.121 8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.584 4.426 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.323 4.804 8.358 1.00 0.00 H new ATOM 365 N GLU A 23 -15.884 4.796 5.999 1.00 0.00 N ATOM 366 CA GLU A 23 -17.238 4.478 5.462 1.00 0.00 C ATOM 367 C GLU A 23 -17.219 4.533 3.929 1.00 0.00 C ATOM 368 O GLU A 23 -17.770 3.680 3.262 1.00 0.00 O ATOM 369 CB GLU A 23 -18.237 5.500 6.009 1.00 0.00 C ATOM 370 CG GLU A 23 -18.320 5.349 7.529 1.00 0.00 C ATOM 371 CD GLU A 23 -18.972 4.010 7.880 1.00 0.00 C ATOM 372 OE1 GLU A 23 -20.100 3.799 7.466 1.00 0.00 O ATOM 373 OE2 GLU A 23 -18.329 3.217 8.545 1.00 0.00 O ATOM 0 H GLU A 23 -15.812 5.686 6.493 1.00 0.00 H new ATOM 0 HA GLU A 23 -17.531 3.474 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.923 6.511 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -19.218 5.345 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.322 5.404 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -18.899 6.169 7.954 1.00 0.00 H new ATOM 380 N GLU A 24 -16.587 5.527 3.366 1.00 0.00 N ATOM 381 CA GLU A 24 -16.530 5.635 1.877 1.00 0.00 C ATOM 382 C GLU A 24 -15.688 4.494 1.297 1.00 0.00 C ATOM 383 O GLU A 24 -16.062 3.865 0.327 1.00 0.00 O ATOM 384 CB GLU A 24 -15.895 6.976 1.494 1.00 0.00 C ATOM 385 CG GLU A 24 -16.913 8.102 1.685 1.00 0.00 C ATOM 386 CD GLU A 24 -17.939 8.062 0.548 1.00 0.00 C ATOM 387 OE1 GLU A 24 -17.523 8.114 -0.599 1.00 0.00 O ATOM 388 OE2 GLU A 24 -19.120 7.986 0.841 1.00 0.00 O ATOM 0 H GLU A 24 -16.107 6.271 3.872 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.541 5.572 1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.014 7.161 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.560 6.948 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -17.415 7.993 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.406 9.067 1.698 1.00 0.00 H new ATOM 395 N MET A 25 -14.554 4.230 1.877 1.00 0.00 N ATOM 396 CA MET A 25 -13.688 3.139 1.351 1.00 0.00 C ATOM 397 C MET A 25 -14.389 1.793 1.527 1.00 0.00 C ATOM 398 O MET A 25 -14.315 0.928 0.675 1.00 0.00 O ATOM 399 CB MET A 25 -12.362 3.131 2.110 1.00 0.00 C ATOM 400 CG MET A 25 -11.504 4.311 1.654 1.00 0.00 C ATOM 401 SD MET A 25 -9.950 4.319 2.583 1.00 0.00 S ATOM 402 CE MET A 25 -9.233 2.819 1.862 1.00 0.00 C ATOM 0 H MET A 25 -14.188 4.721 2.692 1.00 0.00 H new ATOM 0 HA MET A 25 -13.498 3.308 0.291 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.545 3.194 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.835 2.194 1.931 1.00 0.00 H new ATOM 0 HG2 MET A 25 -11.301 4.236 0.586 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.040 5.247 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.146 2.894 1.872 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.542 1.951 2.445 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.579 2.708 0.835 1.00 0.00 H new ATOM 412 N GLY A 26 -15.066 1.603 2.632 1.00 0.00 N ATOM 413 CA GLY A 26 -15.775 0.309 2.878 1.00 0.00 C ATOM 414 C GLY A 26 -14.967 -0.542 3.860 1.00 0.00 C ATOM 415 O GLY A 26 -15.044 -1.756 3.847 1.00 0.00 O ATOM 0 H GLY A 26 -15.159 2.292 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.770 0.499 3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.907 -0.229 1.939 1.00 0.00 H new ATOM 419 N ILE A 27 -14.197 0.088 4.716 1.00 0.00 N ATOM 420 CA ILE A 27 -13.376 -0.666 5.720 1.00 0.00 C ATOM 421 C ILE A 27 -13.695 -0.154 7.126 1.00 0.00 C ATOM 422 O ILE A 27 -14.260 0.909 7.300 1.00 0.00 O ATOM 423 CB ILE A 27 -11.881 -0.477 5.428 1.00 0.00 C ATOM 424 CG1 ILE A 27 -11.519 1.013 5.448 1.00 0.00 C ATOM 425 CG2 ILE A 27 -11.551 -1.060 4.053 1.00 0.00 C ATOM 426 CD1 ILE A 27 -10.003 1.170 5.322 1.00 0.00 C ATOM 0 H ILE A 27 -14.101 1.102 4.763 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.617 -1.727 5.654 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.305 -0.993 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.018 1.531 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.867 1.471 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.489 -0.926 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.791 -2.123 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.137 -0.547 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.744 2.229 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.514 0.666 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.668 0.727 4.384 1.00 0.00 H new ATOM 438 N SER A 28 -13.343 -0.909 8.129 1.00 0.00 N ATOM 439 CA SER A 28 -13.628 -0.479 9.523 1.00 0.00 C ATOM 440 C SER A 28 -12.647 0.614 9.945 1.00 0.00 C ATOM 441 O SER A 28 -11.563 0.737 9.407 1.00 0.00 O ATOM 442 CB SER A 28 -13.465 -1.678 10.457 1.00 0.00 C ATOM 443 OG SER A 28 -12.087 -1.841 10.766 1.00 0.00 O ATOM 0 H SER A 28 -12.869 -1.808 8.041 1.00 0.00 H new ATOM 0 HA SER A 28 -14.645 -0.091 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.040 -1.524 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.854 -2.580 9.983 1.00 0.00 H new ATOM 0 HG SER A 28 -11.955 -2.693 11.231 1.00 0.00 H new ATOM 449 N ARG A 29 -13.015 1.395 10.922 1.00 0.00 N ATOM 450 CA ARG A 29 -12.107 2.472 11.404 1.00 0.00 C ATOM 451 C ARG A 29 -10.857 1.840 12.017 1.00 0.00 C ATOM 452 O ARG A 29 -9.798 2.432 12.034 1.00 0.00 O ATOM 453 CB ARG A 29 -12.834 3.334 12.445 1.00 0.00 C ATOM 454 CG ARG A 29 -13.763 4.324 11.727 1.00 0.00 C ATOM 455 CD ARG A 29 -14.617 5.098 12.744 1.00 0.00 C ATOM 456 NE ARG A 29 -15.871 4.342 13.020 1.00 0.00 N ATOM 457 CZ ARG A 29 -16.622 4.672 14.036 1.00 0.00 C ATOM 458 NH1 ARG A 29 -16.234 5.609 14.856 1.00 0.00 N ATOM 459 NH2 ARG A 29 -17.756 4.060 14.234 1.00 0.00 N ATOM 0 H ARG A 29 -13.909 1.333 11.409 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.813 3.108 10.569 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.410 2.701 13.119 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.110 3.874 13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.172 5.022 11.134 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.411 3.787 11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.057 5.244 13.668 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.855 6.088 12.356 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.143 3.567 12.415 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.344 6.084 14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.820 5.867 15.650 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.056 3.324 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.343 4.318 15.028 1.00 0.00 H new ATOM 473 N GLN A 30 -10.968 0.639 12.514 1.00 0.00 N ATOM 474 CA GLN A 30 -9.780 -0.027 13.117 1.00 0.00 C ATOM 475 C GLN A 30 -8.700 -0.189 12.045 1.00 0.00 C ATOM 476 O GLN A 30 -7.539 0.084 12.277 1.00 0.00 O ATOM 477 CB GLN A 30 -10.182 -1.408 13.645 1.00 0.00 C ATOM 478 CG GLN A 30 -11.162 -1.245 14.806 1.00 0.00 C ATOM 479 CD GLN A 30 -10.437 -0.620 15.999 1.00 0.00 C ATOM 480 OE1 GLN A 30 -10.904 0.344 16.571 1.00 0.00 O ATOM 481 NE2 GLN A 30 -9.304 -1.132 16.401 1.00 0.00 N ATOM 0 H GLN A 30 -11.828 0.091 12.529 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.397 0.578 13.939 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.640 -1.994 12.848 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.298 -1.954 13.975 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.999 -0.615 14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.577 -2.214 15.085 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.911 -1.942 15.921 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.812 -0.722 17.195 1.00 0.00 H new ATOM 490 N GLN A 31 -9.073 -0.623 10.873 1.00 0.00 N ATOM 491 CA GLN A 31 -8.064 -0.790 9.790 1.00 0.00 C ATOM 492 C GLN A 31 -7.517 0.582 9.398 1.00 0.00 C ATOM 493 O GLN A 31 -6.330 0.764 9.222 1.00 0.00 O ATOM 494 CB GLN A 31 -8.727 -1.441 8.575 1.00 0.00 C ATOM 495 CG GLN A 31 -9.132 -2.873 8.925 1.00 0.00 C ATOM 496 CD GLN A 31 -9.861 -3.502 7.738 1.00 0.00 C ATOM 497 OE1 GLN A 31 -10.915 -3.042 7.345 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.343 -4.543 7.147 1.00 0.00 N ATOM 0 H GLN A 31 -10.030 -0.869 10.619 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.249 -1.423 10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.603 -0.867 8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.040 -1.442 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.249 -3.461 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.777 -2.875 9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.458 -4.929 7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.823 -4.971 6.355 1.00 0.00 H new ATOM 507 N LEU A 32 -8.378 1.551 9.268 1.00 0.00 N ATOM 508 CA LEU A 32 -7.916 2.917 8.897 1.00 0.00 C ATOM 509 C LEU A 32 -7.022 3.465 10.014 1.00 0.00 C ATOM 510 O LEU A 32 -6.005 4.081 9.766 1.00 0.00 O ATOM 511 CB LEU A 32 -9.138 3.822 8.707 1.00 0.00 C ATOM 512 CG LEU A 32 -8.709 5.239 8.306 1.00 0.00 C ATOM 513 CD1 LEU A 32 -7.890 5.202 7.003 1.00 0.00 C ATOM 514 CD2 LEU A 32 -9.965 6.090 8.100 1.00 0.00 C ATOM 0 H LEU A 32 -9.385 1.456 9.403 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.346 2.883 7.968 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.790 3.404 7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.715 3.860 9.631 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.088 5.668 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.593 6.215 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.000 4.590 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.496 4.775 6.204 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.676 7.101 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.577 5.651 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.537 6.124 9.027 1.00 0.00 H new ATOM 526 N CYS A 33 -7.400 3.242 11.244 1.00 0.00 N ATOM 527 CA CYS A 33 -6.585 3.744 12.387 1.00 0.00 C ATOM 528 C CYS A 33 -5.198 3.097 12.362 1.00 0.00 C ATOM 529 O CYS A 33 -4.214 3.707 12.732 1.00 0.00 O ATOM 530 CB CYS A 33 -7.283 3.391 13.703 1.00 0.00 C ATOM 531 SG CYS A 33 -8.844 4.298 13.822 1.00 0.00 S ATOM 0 H CYS A 33 -8.243 2.731 11.507 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.480 4.826 12.303 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.469 2.318 13.752 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.640 3.641 14.547 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.732 3.735 13.057 1.00 0.00 H new ATOM 537 N ASN A 34 -5.106 1.868 11.938 1.00 0.00 N ATOM 538 CA ASN A 34 -3.776 1.196 11.904 1.00 0.00 C ATOM 539 C ASN A 34 -2.838 1.953 10.960 1.00 0.00 C ATOM 540 O ASN A 34 -1.675 2.147 11.254 1.00 0.00 O ATOM 541 CB ASN A 34 -3.944 -0.242 11.402 1.00 0.00 C ATOM 542 CG ASN A 34 -4.533 -1.107 12.517 1.00 0.00 C ATOM 543 OD1 ASN A 34 -4.503 -0.731 13.672 1.00 0.00 O ATOM 544 ND2 ASN A 34 -5.070 -2.258 12.218 1.00 0.00 N ATOM 0 H ASN A 34 -5.890 1.301 11.615 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.352 1.189 12.908 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.598 -0.260 10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.981 -0.643 11.087 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.465 -2.843 12.954 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.095 -2.573 11.248 1.00 0.00 H new ATOM 551 N ILE A 35 -3.328 2.379 9.830 1.00 0.00 N ATOM 552 CA ILE A 35 -2.452 3.118 8.878 1.00 0.00 C ATOM 553 C ILE A 35 -1.986 4.425 9.523 1.00 0.00 C ATOM 554 O ILE A 35 -0.830 4.790 9.450 1.00 0.00 O ATOM 555 CB ILE A 35 -3.243 3.437 7.606 1.00 0.00 C ATOM 556 CG1 ILE A 35 -3.570 2.135 6.871 1.00 0.00 C ATOM 557 CG2 ILE A 35 -2.406 4.338 6.693 1.00 0.00 C ATOM 558 CD1 ILE A 35 -4.592 2.411 5.765 1.00 0.00 C ATOM 0 H ILE A 35 -4.293 2.249 9.525 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.586 2.505 8.629 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.167 3.949 7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.662 1.710 6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.967 1.400 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.970 4.564 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.170 5.266 7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.481 3.827 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.823 1.482 5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.503 2.817 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.178 3.131 5.059 1.00 0.00 H new ATOM 570 N GLU A 36 -2.881 5.133 10.152 1.00 0.00 N ATOM 571 CA GLU A 36 -2.501 6.419 10.800 1.00 0.00 C ATOM 572 C GLU A 36 -1.628 6.144 12.029 1.00 0.00 C ATOM 573 O GLU A 36 -0.729 6.898 12.344 1.00 0.00 O ATOM 574 CB GLU A 36 -3.768 7.157 11.236 1.00 0.00 C ATOM 575 CG GLU A 36 -3.405 8.562 11.720 1.00 0.00 C ATOM 576 CD GLU A 36 -4.673 9.275 12.190 1.00 0.00 C ATOM 577 OE1 GLU A 36 -5.403 8.688 12.973 1.00 0.00 O ATOM 578 OE2 GLU A 36 -4.898 10.392 11.756 1.00 0.00 O ATOM 0 H GLU A 36 -3.864 4.876 10.246 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.942 7.029 10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.469 7.218 10.404 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.266 6.605 12.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.683 8.504 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.933 9.126 10.916 1.00 0.00 H new ATOM 585 N GLN A 37 -1.901 5.079 12.736 1.00 0.00 N ATOM 586 CA GLN A 37 -1.110 4.756 13.963 1.00 0.00 C ATOM 587 C GLN A 37 -0.008 3.744 13.633 1.00 0.00 C ATOM 588 O GLN A 37 0.282 2.855 14.410 1.00 0.00 O ATOM 589 CB GLN A 37 -2.046 4.160 15.015 1.00 0.00 C ATOM 590 CG GLN A 37 -3.157 5.162 15.343 1.00 0.00 C ATOM 591 CD GLN A 37 -2.556 6.422 15.971 1.00 0.00 C ATOM 592 OE1 GLN A 37 -2.053 7.284 15.278 1.00 0.00 O ATOM 593 NE2 GLN A 37 -2.592 6.570 17.268 1.00 0.00 N ATOM 0 H GLN A 37 -2.642 4.414 12.516 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.649 5.668 14.343 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.479 3.230 14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.486 3.915 15.917 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.703 5.422 14.436 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.875 4.711 16.028 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.014 5.848 17.852 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.198 7.408 17.697 1.00 0.00 H new ATOM 602 N SER A 38 0.611 3.870 12.492 1.00 0.00 N ATOM 603 CA SER A 38 1.694 2.916 12.119 1.00 0.00 C ATOM 604 C SER A 38 2.581 3.551 11.045 1.00 0.00 C ATOM 605 O SER A 38 2.111 3.977 10.010 1.00 0.00 O ATOM 606 CB SER A 38 1.072 1.629 11.575 1.00 0.00 C ATOM 607 OG SER A 38 2.091 0.654 11.395 1.00 0.00 O ATOM 0 H SER A 38 0.414 4.593 11.800 1.00 0.00 H new ATOM 0 HA SER A 38 2.297 2.684 12.997 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.315 1.257 12.266 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.570 1.826 10.628 1.00 0.00 H new ATOM 0 HG SER A 38 1.695 -0.173 11.048 1.00 0.00 H new ATOM 613 N GLU A 39 3.866 3.625 11.289 1.00 0.00 N ATOM 614 CA GLU A 39 4.792 4.241 10.290 1.00 0.00 C ATOM 615 C GLU A 39 5.309 3.171 9.322 1.00 0.00 C ATOM 616 O GLU A 39 4.982 3.177 8.153 1.00 0.00 O ATOM 617 CB GLU A 39 5.982 4.883 11.026 1.00 0.00 C ATOM 618 CG GLU A 39 6.610 6.003 10.177 1.00 0.00 C ATOM 619 CD GLU A 39 6.699 5.593 8.702 1.00 0.00 C ATOM 620 OE1 GLU A 39 7.457 4.685 8.403 1.00 0.00 O ATOM 621 OE2 GLU A 39 6.004 6.192 7.899 1.00 0.00 O ATOM 0 H GLU A 39 4.314 3.284 12.139 1.00 0.00 H new ATOM 0 HA GLU A 39 4.253 5.002 9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.649 5.288 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.732 4.123 11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.015 6.911 10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.606 6.235 10.554 1.00 0.00 H new ATOM 628 N THR A 40 6.133 2.274 9.805 1.00 0.00 N ATOM 629 CA THR A 40 6.710 1.202 8.933 1.00 0.00 C ATOM 630 C THR A 40 5.670 0.720 7.919 1.00 0.00 C ATOM 631 O THR A 40 4.771 -0.033 8.238 1.00 0.00 O ATOM 632 CB THR A 40 7.155 0.028 9.803 1.00 0.00 C ATOM 633 OG1 THR A 40 6.090 -0.350 10.664 1.00 0.00 O ATOM 634 CG2 THR A 40 8.366 0.446 10.635 1.00 0.00 C ATOM 0 H THR A 40 6.435 2.238 10.779 1.00 0.00 H new ATOM 0 HA THR A 40 7.565 1.608 8.392 1.00 0.00 H new ATOM 0 HB THR A 40 7.425 -0.817 9.170 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.242 -0.302 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.686 -0.390 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.180 0.737 9.971 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.097 1.289 11.271 1.00 0.00 H new ATOM 642 N ALA A 41 5.790 1.163 6.695 1.00 0.00 N ATOM 643 CA ALA A 41 4.820 0.755 5.639 1.00 0.00 C ATOM 644 C ALA A 41 5.375 -0.470 4.890 1.00 0.00 C ATOM 645 O ALA A 41 6.572 -0.672 4.826 1.00 0.00 O ATOM 646 CB ALA A 41 4.632 1.930 4.667 1.00 0.00 C ATOM 0 H ALA A 41 6.526 1.796 6.380 1.00 0.00 H new ATOM 0 HA ALA A 41 3.860 0.493 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.924 1.648 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.248 2.794 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.590 2.184 4.213 1.00 0.00 H new ATOM 652 N PRO A 42 4.513 -1.278 4.321 1.00 0.00 N ATOM 653 CA PRO A 42 4.927 -2.500 3.562 1.00 0.00 C ATOM 654 C PRO A 42 5.750 -2.162 2.307 1.00 0.00 C ATOM 655 O PRO A 42 5.608 -1.111 1.716 1.00 0.00 O ATOM 656 CB PRO A 42 3.591 -3.176 3.188 1.00 0.00 C ATOM 657 CG PRO A 42 2.568 -2.085 3.258 1.00 0.00 C ATOM 658 CD PRO A 42 3.049 -1.121 4.338 1.00 0.00 C ATOM 0 HA PRO A 42 5.579 -3.142 4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.635 -3.611 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.352 -3.985 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.473 -1.578 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.586 -2.488 3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.754 -0.095 4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.631 -1.371 5.313 1.00 0.00 H new ATOM 666 N VAL A 43 6.613 -3.061 1.906 1.00 0.00 N ATOM 667 CA VAL A 43 7.462 -2.827 0.700 1.00 0.00 C ATOM 668 C VAL A 43 6.592 -2.779 -0.560 1.00 0.00 C ATOM 669 O VAL A 43 7.007 -2.294 -1.594 1.00 0.00 O ATOM 670 CB VAL A 43 8.470 -3.967 0.563 1.00 0.00 C ATOM 671 CG1 VAL A 43 9.515 -3.866 1.674 1.00 0.00 C ATOM 672 CG2 VAL A 43 7.735 -5.304 0.676 1.00 0.00 C ATOM 0 H VAL A 43 6.767 -3.957 2.369 1.00 0.00 H new ATOM 0 HA VAL A 43 7.982 -1.876 0.814 1.00 0.00 H new ATOM 0 HB VAL A 43 8.966 -3.900 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.233 -4.680 1.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.036 -2.912 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.022 -3.934 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.450 -6.121 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.241 -5.367 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.990 -5.378 -0.116 1.00 0.00 H new ATOM 682 N VAL A 44 5.398 -3.295 -0.489 1.00 0.00 N ATOM 683 CA VAL A 44 4.509 -3.299 -1.686 1.00 0.00 C ATOM 684 C VAL A 44 4.347 -1.862 -2.202 1.00 0.00 C ATOM 685 O VAL A 44 4.348 -1.616 -3.393 1.00 0.00 O ATOM 686 CB VAL A 44 3.140 -3.865 -1.287 1.00 0.00 C ATOM 687 CG1 VAL A 44 2.392 -2.853 -0.412 1.00 0.00 C ATOM 688 CG2 VAL A 44 2.316 -4.174 -2.540 1.00 0.00 C ATOM 0 H VAL A 44 4.997 -3.716 0.349 1.00 0.00 H new ATOM 0 HA VAL A 44 4.944 -3.916 -2.473 1.00 0.00 H new ATOM 0 HB VAL A 44 3.289 -4.785 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.421 -3.261 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.973 -2.650 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.249 -1.926 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.346 -4.575 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.172 -3.260 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.843 -4.907 -3.150 1.00 0.00 H new ATOM 698 N VAL A 45 4.210 -0.913 -1.315 1.00 0.00 N ATOM 699 CA VAL A 45 4.051 0.501 -1.756 1.00 0.00 C ATOM 700 C VAL A 45 5.309 0.935 -2.504 1.00 0.00 C ATOM 701 O VAL A 45 5.242 1.520 -3.567 1.00 0.00 O ATOM 702 CB VAL A 45 3.843 1.398 -0.533 1.00 0.00 C ATOM 703 CG1 VAL A 45 3.795 2.864 -0.973 1.00 0.00 C ATOM 704 CG2 VAL A 45 2.525 1.022 0.143 1.00 0.00 C ATOM 0 H VAL A 45 4.201 -1.057 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 45 3.186 0.587 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 45 4.667 1.262 0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.647 3.501 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.733 3.129 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.970 3.007 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.370 1.657 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.703 1.162 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.561 -0.022 0.455 1.00 0.00 H new ATOM 714 N LYS A 46 6.458 0.638 -1.965 1.00 0.00 N ATOM 715 CA LYS A 46 7.724 1.019 -2.648 1.00 0.00 C ATOM 716 C LYS A 46 7.809 0.286 -3.986 1.00 0.00 C ATOM 717 O LYS A 46 8.260 0.826 -4.977 1.00 0.00 O ATOM 718 CB LYS A 46 8.914 0.627 -1.772 1.00 0.00 C ATOM 719 CG LYS A 46 8.925 1.497 -0.515 1.00 0.00 C ATOM 720 CD LYS A 46 10.115 1.106 0.363 1.00 0.00 C ATOM 721 CE LYS A 46 10.175 2.024 1.583 1.00 0.00 C ATOM 722 NZ LYS A 46 8.947 1.838 2.407 1.00 0.00 N ATOM 0 H LYS A 46 6.575 0.147 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 46 7.742 2.096 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.848 -0.426 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.845 0.755 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.991 2.550 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.994 1.369 0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.020 0.068 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.041 1.181 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.061 1.800 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.259 3.063 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.111 2.212 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.154 2.347 1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.718 0.825 2.466 1.00 0.00 H new ATOM 736 N TYR A 47 7.381 -0.946 -4.019 1.00 0.00 N ATOM 737 CA TYR A 47 7.439 -1.724 -5.286 1.00 0.00 C ATOM 738 C TYR A 47 6.626 -0.997 -6.358 1.00 0.00 C ATOM 739 O TYR A 47 7.031 -0.901 -7.500 1.00 0.00 O ATOM 740 CB TYR A 47 6.849 -3.118 -5.055 1.00 0.00 C ATOM 741 CG TYR A 47 7.065 -3.964 -6.286 1.00 0.00 C ATOM 742 CD1 TYR A 47 8.330 -4.505 -6.540 1.00 0.00 C ATOM 743 CD2 TYR A 47 6.008 -4.211 -7.172 1.00 0.00 C ATOM 744 CE1 TYR A 47 8.540 -5.294 -7.675 1.00 0.00 C ATOM 745 CE2 TYR A 47 6.219 -5.001 -8.308 1.00 0.00 C ATOM 746 CZ TYR A 47 7.485 -5.542 -8.560 1.00 0.00 C ATOM 747 OH TYR A 47 7.693 -6.322 -9.679 1.00 0.00 O ATOM 0 H TYR A 47 6.993 -1.448 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 47 8.475 -1.819 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.321 -3.586 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.784 -3.042 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.145 -4.313 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.031 -3.792 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.517 -5.712 -7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.404 -5.193 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 47 6.858 -6.396 -10.186 1.00 0.00 H new ATOM 757 N ILE A 48 5.485 -0.481 -6.002 1.00 0.00 N ATOM 758 CA ILE A 48 4.653 0.242 -7.002 1.00 0.00 C ATOM 759 C ILE A 48 5.426 1.462 -7.509 1.00 0.00 C ATOM 760 O ILE A 48 5.458 1.741 -8.692 1.00 0.00 O ATOM 761 CB ILE A 48 3.353 0.698 -6.337 1.00 0.00 C ATOM 762 CG1 ILE A 48 2.505 -0.529 -5.998 1.00 0.00 C ATOM 763 CG2 ILE A 48 2.577 1.606 -7.293 1.00 0.00 C ATOM 764 CD1 ILE A 48 1.331 -0.113 -5.111 1.00 0.00 C ATOM 0 H ILE A 48 5.092 -0.528 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 48 4.422 -0.416 -7.840 1.00 0.00 H new ATOM 0 HB ILE A 48 3.583 1.249 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.136 -0.992 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.114 -1.274 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.651 1.929 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.183 2.478 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.343 1.058 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.728 -0.989 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.710 0.330 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.717 0.616 -5.639 1.00 0.00 H new ATOM 776 N ALA A 49 6.053 2.187 -6.625 1.00 0.00 N ATOM 777 CA ALA A 49 6.827 3.385 -7.056 1.00 0.00 C ATOM 778 C ALA A 49 7.943 2.950 -8.007 1.00 0.00 C ATOM 779 O ALA A 49 8.272 3.639 -8.952 1.00 0.00 O ATOM 780 CB ALA A 49 7.445 4.063 -5.829 1.00 0.00 C ATOM 0 H ALA A 49 6.063 2.002 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 49 6.162 4.084 -7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.011 4.939 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.653 4.369 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.111 3.363 -5.323 1.00 0.00 H new ATOM 786 N PHE A 50 8.535 1.814 -7.761 1.00 0.00 N ATOM 787 CA PHE A 50 9.636 1.341 -8.644 1.00 0.00 C ATOM 788 C PHE A 50 9.104 1.168 -10.072 1.00 0.00 C ATOM 789 O PHE A 50 9.717 1.604 -11.027 1.00 0.00 O ATOM 790 CB PHE A 50 10.153 0.000 -8.124 1.00 0.00 C ATOM 791 CG PHE A 50 11.443 -0.355 -8.819 1.00 0.00 C ATOM 792 CD1 PHE A 50 12.652 0.169 -8.347 1.00 0.00 C ATOM 793 CD2 PHE A 50 11.437 -1.212 -9.926 1.00 0.00 C ATOM 794 CE1 PHE A 50 13.855 -0.163 -8.979 1.00 0.00 C ATOM 795 CE2 PHE A 50 12.640 -1.543 -10.559 1.00 0.00 C ATOM 796 CZ PHE A 50 13.849 -1.019 -10.085 1.00 0.00 C ATOM 0 H PHE A 50 8.303 1.193 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 50 10.447 2.070 -8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.313 0.054 -7.047 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.410 -0.778 -8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.656 0.831 -7.493 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.505 -1.617 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.787 0.241 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 50 12.636 -2.203 -11.414 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.777 -1.276 -10.574 1.00 0.00 H new ATOM 806 N LEU A 51 7.968 0.543 -10.226 1.00 0.00 N ATOM 807 CA LEU A 51 7.406 0.355 -11.594 1.00 0.00 C ATOM 808 C LEU A 51 7.112 1.726 -12.209 1.00 0.00 C ATOM 809 O LEU A 51 7.386 1.971 -13.367 1.00 0.00 O ATOM 810 CB LEU A 51 6.109 -0.455 -11.508 1.00 0.00 C ATOM 811 CG LEU A 51 6.414 -1.900 -11.084 1.00 0.00 C ATOM 812 CD1 LEU A 51 5.095 -2.630 -10.801 1.00 0.00 C ATOM 813 CD2 LEU A 51 7.194 -2.639 -12.192 1.00 0.00 C ATOM 0 H LEU A 51 7.407 0.156 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 51 8.125 -0.180 -12.215 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.430 0.007 -10.791 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.604 -0.450 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 51 7.029 -1.884 -10.184 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.305 -3.656 -10.500 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.561 -2.119 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.481 -2.635 -11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.400 -3.660 -11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.599 -2.658 -13.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.134 -2.121 -12.382 1.00 0.00 H new ATOM 825 N ARG A 52 6.565 2.626 -11.438 1.00 0.00 N ATOM 826 CA ARG A 52 6.263 3.985 -11.974 1.00 0.00 C ATOM 827 C ARG A 52 7.564 4.653 -12.428 1.00 0.00 C ATOM 828 O ARG A 52 7.618 5.288 -13.462 1.00 0.00 O ATOM 829 CB ARG A 52 5.602 4.832 -10.881 1.00 0.00 C ATOM 830 CG ARG A 52 5.412 6.270 -11.380 1.00 0.00 C ATOM 831 CD ARG A 52 4.577 7.067 -10.372 1.00 0.00 C ATOM 832 NE ARG A 52 3.132 6.784 -10.583 1.00 0.00 N ATOM 833 CZ ARG A 52 2.240 7.566 -10.044 1.00 0.00 C ATOM 834 NH1 ARG A 52 2.624 8.573 -9.314 1.00 0.00 N ATOM 835 NH2 ARG A 52 0.969 7.344 -10.235 1.00 0.00 N ATOM 0 H ARG A 52 6.314 2.480 -10.460 1.00 0.00 H new ATOM 0 HA ARG A 52 5.584 3.900 -12.823 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.638 4.402 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.219 4.828 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.382 6.747 -11.519 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.917 6.265 -12.351 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.865 6.800 -9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.769 8.134 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 52 2.842 5.984 -11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.618 8.746 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.931 9.189 -8.889 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.670 6.555 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.274 7.959 -9.811 1.00 0.00 H new ATOM 849 N SER A 53 8.610 4.517 -11.662 1.00 0.00 N ATOM 850 CA SER A 53 9.905 5.146 -12.048 1.00 0.00 C ATOM 851 C SER A 53 10.346 4.603 -13.411 1.00 0.00 C ATOM 852 O SER A 53 11.170 5.189 -14.086 1.00 0.00 O ATOM 853 CB SER A 53 10.967 4.815 -10.998 1.00 0.00 C ATOM 854 OG SER A 53 12.184 5.465 -11.341 1.00 0.00 O ATOM 0 H SER A 53 8.625 3.997 -10.785 1.00 0.00 H new ATOM 0 HA SER A 53 9.782 6.227 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.634 5.139 -10.012 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.119 3.737 -10.945 1.00 0.00 H new ATOM 0 HG SER A 53 12.867 5.257 -10.670 1.00 0.00 H new ATOM 860 N LYS A 54 9.801 3.488 -13.821 1.00 0.00 N ATOM 861 CA LYS A 54 10.183 2.903 -15.142 1.00 0.00 C ATOM 862 C LYS A 54 9.201 3.398 -16.208 1.00 0.00 C ATOM 863 O LYS A 54 9.281 3.032 -17.363 1.00 0.00 O ATOM 864 CB LYS A 54 10.122 1.377 -15.055 1.00 0.00 C ATOM 865 CG LYS A 54 11.120 0.889 -13.997 1.00 0.00 C ATOM 866 CD LYS A 54 10.990 -0.635 -13.808 1.00 0.00 C ATOM 867 CE LYS A 54 11.840 -1.380 -14.849 1.00 0.00 C ATOM 868 NZ LYS A 54 11.258 -2.728 -15.079 1.00 0.00 N ATOM 0 H LYS A 54 9.106 2.955 -13.298 1.00 0.00 H new ATOM 0 HA LYS A 54 11.195 3.209 -15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.113 1.056 -14.795 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.357 0.936 -16.024 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.136 1.140 -14.301 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.936 1.397 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.310 -0.912 -12.803 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.945 -0.932 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.868 -0.818 -15.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.869 -1.469 -14.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.648 -3.129 -15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.494 -3.349 -14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.224 -2.650 -15.163 1.00 0.00 H new ATOM 882 N GLY A 55 8.278 4.245 -15.823 1.00 0.00 N ATOM 883 CA GLY A 55 7.289 4.789 -16.804 1.00 0.00 C ATOM 884 C GLY A 55 6.026 3.920 -16.838 1.00 0.00 C ATOM 885 O GLY A 55 5.176 4.087 -17.691 1.00 0.00 O ATOM 0 H GLY A 55 8.167 4.584 -14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.026 5.812 -16.534 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.737 4.827 -17.797 1.00 0.00 H new ATOM 889 N VAL A 56 5.887 2.999 -15.923 1.00 0.00 N ATOM 890 CA VAL A 56 4.670 2.133 -15.919 1.00 0.00 C ATOM 891 C VAL A 56 3.464 2.963 -15.467 1.00 0.00 C ATOM 892 O VAL A 56 3.532 3.705 -14.506 1.00 0.00 O ATOM 893 CB VAL A 56 4.881 0.945 -14.975 1.00 0.00 C ATOM 894 CG1 VAL A 56 3.671 0.003 -15.036 1.00 0.00 C ATOM 895 CG2 VAL A 56 6.129 0.185 -15.410 1.00 0.00 C ATOM 0 H VAL A 56 6.560 2.808 -15.180 1.00 0.00 H new ATOM 0 HA VAL A 56 4.487 1.751 -16.923 1.00 0.00 H new ATOM 0 HB VAL A 56 4.998 1.310 -13.955 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.831 -0.838 -14.362 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.773 0.544 -14.736 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.548 -0.366 -16.054 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.289 -0.663 -14.744 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.999 -0.174 -16.431 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.993 0.848 -15.366 1.00 0.00 H new ATOM 905 N ASP A 57 2.365 2.858 -16.170 1.00 0.00 N ATOM 906 CA ASP A 57 1.152 3.654 -15.805 1.00 0.00 C ATOM 907 C ASP A 57 0.314 2.904 -14.761 1.00 0.00 C ATOM 908 O ASP A 57 -0.292 1.890 -15.047 1.00 0.00 O ATOM 909 CB ASP A 57 0.308 3.893 -17.068 1.00 0.00 C ATOM 910 CG ASP A 57 0.859 5.090 -17.849 1.00 0.00 C ATOM 911 OD1 ASP A 57 0.741 6.199 -17.354 1.00 0.00 O ATOM 912 OD2 ASP A 57 1.385 4.877 -18.929 1.00 0.00 O ATOM 0 H ASP A 57 2.254 2.253 -16.984 1.00 0.00 H new ATOM 0 HA ASP A 57 1.465 4.608 -15.381 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.319 3.002 -17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.731 4.076 -16.792 1.00 0.00 H new ATOM 917 N LEU A 58 0.265 3.411 -13.555 1.00 0.00 N ATOM 918 CA LEU A 58 -0.543 2.751 -12.486 1.00 0.00 C ATOM 919 C LEU A 58 -1.958 3.331 -12.495 1.00 0.00 C ATOM 920 O LEU A 58 -2.854 2.819 -11.851 1.00 0.00 O ATOM 921 CB LEU A 58 0.105 3.012 -11.121 1.00 0.00 C ATOM 922 CG LEU A 58 1.321 2.093 -10.923 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.874 0.633 -10.698 1.00 0.00 C ATOM 924 CD2 LEU A 58 2.229 2.166 -12.155 1.00 0.00 C ATOM 0 H LEU A 58 0.753 4.258 -13.264 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.584 1.677 -12.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.414 4.055 -11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.622 2.841 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 58 1.867 2.429 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.751 0.001 -10.560 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.244 0.578 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.310 0.287 -11.565 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.090 1.513 -12.011 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.673 1.845 -13.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.570 3.192 -12.295 1.00 0.00 H new ATOM 936 N ASN A 59 -2.164 4.393 -13.219 1.00 0.00 N ATOM 937 CA ASN A 59 -3.519 5.008 -13.276 1.00 0.00 C ATOM 938 C ASN A 59 -4.497 4.016 -13.907 1.00 0.00 C ATOM 939 O ASN A 59 -5.628 3.893 -13.485 1.00 0.00 O ATOM 940 CB ASN A 59 -3.461 6.289 -14.114 1.00 0.00 C ATOM 941 CG ASN A 59 -2.581 6.057 -15.341 1.00 0.00 C ATOM 942 OD1 ASN A 59 -2.709 5.052 -16.010 1.00 0.00 O ATOM 943 ND2 ASN A 59 -1.685 6.949 -15.664 1.00 0.00 N ATOM 0 H ASN A 59 -1.451 4.864 -13.776 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.856 5.254 -12.269 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.465 6.579 -14.423 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.062 7.109 -13.517 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.091 6.803 -16.480 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.579 7.793 -15.101 1.00 0.00 H new ATOM 950 N ALA A 60 -4.072 3.305 -14.915 1.00 0.00 N ATOM 951 CA ALA A 60 -4.981 2.320 -15.564 1.00 0.00 C ATOM 952 C ALA A 60 -5.380 1.243 -14.549 1.00 0.00 C ATOM 953 O ALA A 60 -6.540 0.912 -14.405 1.00 0.00 O ATOM 954 CB ALA A 60 -4.264 1.660 -16.746 1.00 0.00 C ATOM 0 H ALA A 60 -3.136 3.364 -15.316 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.873 2.835 -15.920 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.931 0.939 -17.220 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.980 2.423 -17.471 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.370 1.148 -16.389 1.00 0.00 H new ATOM 960 N LEU A 61 -4.424 0.696 -13.845 1.00 0.00 N ATOM 961 CA LEU A 61 -4.744 -0.362 -12.839 1.00 0.00 C ATOM 962 C LEU A 61 -5.644 0.216 -11.741 1.00 0.00 C ATOM 963 O LEU A 61 -6.608 -0.395 -11.324 1.00 0.00 O ATOM 964 CB LEU A 61 -3.431 -0.852 -12.202 1.00 0.00 C ATOM 965 CG LEU A 61 -2.756 -1.898 -13.105 1.00 0.00 C ATOM 966 CD1 LEU A 61 -3.563 -3.216 -13.111 1.00 0.00 C ATOM 967 CD2 LEU A 61 -2.643 -1.342 -14.533 1.00 0.00 C ATOM 0 H LEU A 61 -3.436 0.935 -13.922 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.260 -1.187 -13.331 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.758 -0.009 -12.045 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.634 -1.284 -11.222 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.760 -2.110 -12.717 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.068 -3.942 -13.756 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.622 -3.611 -12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.569 -3.025 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.165 -2.082 -15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.639 -1.119 -14.916 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.045 -0.431 -14.522 1.00 0.00 H new ATOM 979 N PHE A 62 -5.318 1.381 -11.258 1.00 0.00 N ATOM 980 CA PHE A 62 -6.129 2.002 -10.175 1.00 0.00 C ATOM 981 C PHE A 62 -7.497 2.418 -10.728 1.00 0.00 C ATOM 982 O PHE A 62 -8.520 2.206 -10.106 1.00 0.00 O ATOM 983 CB PHE A 62 -5.376 3.227 -9.634 1.00 0.00 C ATOM 984 CG PHE A 62 -4.283 2.787 -8.669 1.00 0.00 C ATOM 985 CD1 PHE A 62 -3.336 1.817 -9.048 1.00 0.00 C ATOM 986 CD2 PHE A 62 -4.216 3.354 -7.387 1.00 0.00 C ATOM 987 CE1 PHE A 62 -2.340 1.423 -8.151 1.00 0.00 C ATOM 988 CE2 PHE A 62 -3.214 2.954 -6.493 1.00 0.00 C ATOM 989 CZ PHE A 62 -2.279 1.989 -6.877 1.00 0.00 C ATOM 0 H PHE A 62 -4.519 1.934 -11.569 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.285 1.287 -9.367 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.938 3.788 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.071 3.896 -9.127 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.379 1.377 -10.033 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.938 4.100 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.615 0.678 -8.444 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.164 3.392 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.508 1.681 -6.187 1.00 0.00 H new ATOM 999 N ASP A 63 -7.520 2.998 -11.892 1.00 0.00 N ATOM 1000 CA ASP A 63 -8.813 3.422 -12.496 1.00 0.00 C ATOM 1001 C ASP A 63 -9.669 2.185 -12.765 1.00 0.00 C ATOM 1002 O ASP A 63 -10.876 2.204 -12.622 1.00 0.00 O ATOM 1003 CB ASP A 63 -8.538 4.148 -13.815 1.00 0.00 C ATOM 1004 CG ASP A 63 -7.977 5.538 -13.516 1.00 0.00 C ATOM 1005 OD1 ASP A 63 -7.642 5.784 -12.369 1.00 0.00 O ATOM 1006 OD2 ASP A 63 -7.886 6.329 -14.439 1.00 0.00 O ATOM 0 H ASP A 63 -6.694 3.199 -12.456 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.339 4.090 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.830 3.578 -14.417 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.456 4.231 -14.397 1.00 0.00 H new ATOM 1011 N ARG A 64 -9.046 1.111 -13.159 1.00 0.00 N ATOM 1012 CA ARG A 64 -9.806 -0.135 -13.447 1.00 0.00 C ATOM 1013 C ARG A 64 -10.531 -0.588 -12.176 1.00 0.00 C ATOM 1014 O ARG A 64 -11.685 -0.963 -12.207 1.00 0.00 O ATOM 1015 CB ARG A 64 -8.827 -1.224 -13.897 1.00 0.00 C ATOM 1016 CG ARG A 64 -9.597 -2.390 -14.541 1.00 0.00 C ATOM 1017 CD ARG A 64 -10.261 -1.939 -15.861 1.00 0.00 C ATOM 1018 NE ARG A 64 -10.162 -3.033 -16.870 1.00 0.00 N ATOM 1019 CZ ARG A 64 -8.992 -3.374 -17.341 1.00 0.00 C ATOM 1020 NH1 ARG A 64 -7.915 -2.798 -16.885 1.00 0.00 N ATOM 1021 NH2 ARG A 64 -8.898 -4.295 -18.262 1.00 0.00 N ATOM 0 H ARG A 64 -8.037 1.043 -13.295 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.537 0.048 -14.235 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.113 -0.811 -14.610 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.253 -1.584 -13.043 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.917 -3.219 -14.735 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.358 -2.756 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.307 -1.686 -15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.773 -1.039 -16.236 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.003 -3.512 -17.191 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.987 -2.082 -16.162 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.001 -3.063 -17.252 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.739 -4.750 -18.616 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.983 -4.559 -18.628 1.00 0.00 H new ATOM 1035 N ILE A 65 -9.857 -0.562 -11.057 1.00 0.00 N ATOM 1036 CA ILE A 65 -10.506 -0.997 -9.787 1.00 0.00 C ATOM 1037 C ILE A 65 -11.533 0.045 -9.338 1.00 0.00 C ATOM 1038 O ILE A 65 -12.727 -0.182 -9.390 1.00 0.00 O ATOM 1039 CB ILE A 65 -9.441 -1.149 -8.701 1.00 0.00 C ATOM 1040 CG1 ILE A 65 -8.443 -2.231 -9.115 1.00 0.00 C ATOM 1041 CG2 ILE A 65 -10.112 -1.550 -7.386 1.00 0.00 C ATOM 1042 CD1 ILE A 65 -7.240 -2.201 -8.173 1.00 0.00 C ATOM 0 H ILE A 65 -8.887 -0.259 -10.968 1.00 0.00 H new ATOM 0 HA ILE A 65 -11.009 -1.950 -9.953 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.916 -0.203 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.919 -3.211 -9.083 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.118 -2.067 -10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.355 -1.659 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.825 -0.780 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.635 -2.497 -7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.528 -2.972 -8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.760 -1.224 -8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.573 -2.386 -7.152 1.00 0.00 H new ATOM 1054 N ILE A 66 -11.078 1.184 -8.889 1.00 0.00 N ATOM 1055 CA ILE A 66 -12.027 2.241 -8.429 1.00 0.00 C ATOM 1056 C ILE A 66 -12.571 3.011 -9.637 1.00 0.00 C ATOM 1057 O ILE A 66 -11.830 3.414 -10.512 1.00 0.00 O ATOM 1058 CB ILE A 66 -11.297 3.201 -7.481 1.00 0.00 C ATOM 1059 CG1 ILE A 66 -9.920 3.541 -8.059 1.00 0.00 C ATOM 1060 CG2 ILE A 66 -11.123 2.544 -6.108 1.00 0.00 C ATOM 1061 CD1 ILE A 66 -9.354 4.768 -7.342 1.00 0.00 C ATOM 0 H ILE A 66 -10.090 1.429 -8.821 1.00 0.00 H new ATOM 0 HA ILE A 66 -12.861 1.778 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 66 -11.885 4.113 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.245 2.694 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -10.001 3.737 -9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.604 3.231 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -12.102 2.304 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -10.539 1.630 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.374 5.010 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -10.026 5.614 -7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -9.258 4.555 -6.277 1.00 0.00 H new ATOM 1073 N VAL A 67 -13.868 3.207 -9.692 1.00 0.00 N ATOM 1074 CA VAL A 67 -14.493 3.946 -10.839 1.00 0.00 C ATOM 1075 C VAL A 67 -15.223 5.187 -10.313 1.00 0.00 C ATOM 1076 O VAL A 67 -15.971 5.124 -9.356 1.00 0.00 O ATOM 1077 CB VAL A 67 -15.475 3.014 -11.559 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -16.336 3.814 -12.546 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -14.681 1.950 -12.323 1.00 0.00 C ATOM 0 H VAL A 67 -14.527 2.883 -8.984 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.723 4.266 -11.541 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.127 2.540 -10.825 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.030 3.142 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.898 4.575 -12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.693 4.294 -13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -15.371 1.282 -12.839 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.032 2.434 -13.052 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.075 1.376 -11.622 1.00 0.00 H new ATOM 1089 N ASN A 68 -14.996 6.316 -10.928 1.00 0.00 N ATOM 1090 CA ASN A 68 -15.653 7.577 -10.474 1.00 0.00 C ATOM 1091 C ASN A 68 -17.162 7.529 -10.755 1.00 0.00 C ATOM 1092 O ASN A 68 -17.689 6.537 -11.214 1.00 0.00 O ATOM 1093 CB ASN A 68 -15.026 8.764 -11.223 1.00 0.00 C ATOM 1094 CG ASN A 68 -13.689 9.134 -10.576 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -13.548 10.201 -10.012 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -12.696 8.289 -10.630 1.00 0.00 N ATOM 0 H ASN A 68 -14.378 6.420 -11.733 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.505 7.692 -9.400 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.875 8.506 -12.271 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.701 9.619 -11.199 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.802 8.524 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.814 7.393 -11.103 1.00 0.00 H new ATOM 1103 N LYS A 69 -17.849 8.608 -10.475 1.00 0.00 N ATOM 1104 CA LYS A 69 -19.325 8.669 -10.709 1.00 0.00 C ATOM 1105 C LYS A 69 -20.041 7.575 -9.910 1.00 0.00 C ATOM 1106 O LYS A 69 -20.438 6.559 -10.445 1.00 0.00 O ATOM 1107 CB LYS A 69 -19.626 8.498 -12.201 1.00 0.00 C ATOM 1108 CG LYS A 69 -21.116 8.753 -12.449 1.00 0.00 C ATOM 1109 CD LYS A 69 -21.407 8.678 -13.951 1.00 0.00 C ATOM 1110 CE LYS A 69 -22.895 8.946 -14.201 1.00 0.00 C ATOM 1111 NZ LYS A 69 -23.163 10.408 -14.097 1.00 0.00 N ATOM 0 H LYS A 69 -17.444 9.461 -10.089 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.688 9.642 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.024 9.192 -12.787 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -19.359 7.492 -12.525 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.715 8.016 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.397 9.733 -12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -20.801 9.409 -14.486 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.135 7.695 -14.336 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.179 8.583 -15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.500 8.402 -13.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.144 10.602 -14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.020 10.718 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -22.512 10.926 -14.722 1.00 0.00 H new ATOM 1125 N LEU A 70 -20.218 7.783 -8.630 1.00 0.00 N ATOM 1126 CA LEU A 70 -20.917 6.770 -7.782 1.00 0.00 C ATOM 1127 C LEU A 70 -22.423 7.053 -7.782 1.00 0.00 C ATOM 1128 O LEU A 70 -23.203 6.331 -8.370 1.00 0.00 O ATOM 1129 CB LEU A 70 -20.380 6.861 -6.348 1.00 0.00 C ATOM 1130 CG LEU A 70 -21.140 5.900 -5.420 1.00 0.00 C ATOM 1131 CD1 LEU A 70 -21.049 4.461 -5.951 1.00 0.00 C ATOM 1132 CD2 LEU A 70 -20.517 5.971 -4.022 1.00 0.00 C ATOM 0 H LEU A 70 -19.906 8.617 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 70 -20.738 5.771 -8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -19.317 6.620 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -20.479 7.883 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 70 -22.190 6.190 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -21.592 3.792 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -21.487 4.413 -6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.004 4.156 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -21.047 5.293 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -19.468 5.681 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -20.592 6.990 -3.641 1.00 0.00 H new ATOM 1144 N GLU A 71 -22.825 8.093 -7.104 1.00 0.00 N ATOM 1145 CA GLU A 71 -24.269 8.450 -7.023 1.00 0.00 C ATOM 1146 C GLU A 71 -25.068 7.268 -6.473 1.00 0.00 C ATOM 1147 O GLU A 71 -24.572 6.163 -6.374 1.00 0.00 O ATOM 1148 CB GLU A 71 -24.804 8.842 -8.403 1.00 0.00 C ATOM 1149 CG GLU A 71 -24.180 10.167 -8.844 1.00 0.00 C ATOM 1150 CD GLU A 71 -24.888 10.668 -10.106 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -25.142 9.857 -10.981 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -25.172 11.853 -10.170 1.00 0.00 O ATOM 0 H GLU A 71 -22.203 8.720 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 71 -24.379 9.302 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -24.573 8.062 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -25.890 8.934 -8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.267 10.906 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.116 10.033 -9.039 1.00 0.00 H new ATOM 1159 N HIS A 72 -26.304 7.506 -6.097 1.00 0.00 N ATOM 1160 CA HIS A 72 -27.162 6.420 -5.528 1.00 0.00 C ATOM 1161 C HIS A 72 -28.388 6.203 -6.415 1.00 0.00 C ATOM 1162 O HIS A 72 -29.157 7.110 -6.664 1.00 0.00 O ATOM 1163 CB HIS A 72 -27.628 6.835 -4.132 1.00 0.00 C ATOM 1164 CG HIS A 72 -28.351 5.688 -3.483 1.00 0.00 C ATOM 1165 ND1 HIS A 72 -29.618 5.827 -2.931 1.00 0.00 N ATOM 1166 CD2 HIS A 72 -28.002 4.375 -3.298 1.00 0.00 C ATOM 1167 CE1 HIS A 72 -29.981 4.624 -2.445 1.00 0.00 C ATOM 1168 NE2 HIS A 72 -29.033 3.709 -2.645 1.00 0.00 N ATOM 0 H HIS A 72 -26.758 8.417 -6.162 1.00 0.00 H new ATOM 0 HA HIS A 72 -26.586 5.496 -5.477 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -26.773 7.130 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -28.285 7.702 -4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -27.070 3.927 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -30.923 4.426 -1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -29.058 2.726 -2.375 1.00 0.00 H new ATOM 1176 N HIS A 73 -28.583 4.999 -6.886 1.00 0.00 N ATOM 1177 CA HIS A 73 -29.766 4.707 -7.748 1.00 0.00 C ATOM 1178 C HIS A 73 -30.120 3.219 -7.597 1.00 0.00 C ATOM 1179 O HIS A 73 -30.875 2.834 -6.724 1.00 0.00 O ATOM 1180 CB HIS A 73 -29.425 5.044 -9.224 1.00 0.00 C ATOM 1181 CG HIS A 73 -30.021 6.375 -9.616 1.00 0.00 C ATOM 1182 ND1 HIS A 73 -29.418 7.586 -9.304 1.00 0.00 N ATOM 1183 CD2 HIS A 73 -31.170 6.696 -10.301 1.00 0.00 C ATOM 1184 CE1 HIS A 73 -30.198 8.568 -9.794 1.00 0.00 C ATOM 1185 NE2 HIS A 73 -31.276 8.078 -10.409 1.00 0.00 N ATOM 0 H HIS A 73 -27.971 4.202 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 73 -30.620 5.314 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -28.343 5.071 -9.356 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -29.807 4.261 -9.879 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -28.542 7.709 -8.796 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -31.880 5.984 -10.694 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -29.978 9.621 -9.701 1.00 0.00 H new ATOM 1193 N HIS A 74 -29.575 2.385 -8.440 1.00 0.00 N ATOM 1194 CA HIS A 74 -29.862 0.923 -8.357 1.00 0.00 C ATOM 1195 C HIS A 74 -28.809 0.261 -7.464 1.00 0.00 C ATOM 1196 O HIS A 74 -27.625 0.477 -7.634 1.00 0.00 O ATOM 1197 CB HIS A 74 -29.781 0.321 -9.763 1.00 0.00 C ATOM 1198 CG HIS A 74 -29.985 -1.169 -9.704 1.00 0.00 C ATOM 1199 ND1 HIS A 74 -31.051 -1.787 -10.341 1.00 0.00 N ATOM 1200 CD2 HIS A 74 -29.271 -2.179 -9.103 1.00 0.00 C ATOM 1201 CE1 HIS A 74 -30.951 -3.109 -10.114 1.00 0.00 C ATOM 1202 NE2 HIS A 74 -29.885 -3.398 -9.365 1.00 0.00 N ATOM 0 H HIS A 74 -28.938 2.655 -9.189 1.00 0.00 H new ATOM 0 HA HIS A 74 -30.856 0.759 -7.941 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -30.537 0.774 -10.404 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -28.811 0.545 -10.207 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -28.373 -2.046 -8.518 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -31.646 -3.845 -10.491 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -29.584 -4.320 -9.051 1.00 0.00 H new ATOM 1210 N HIS A 75 -29.227 -0.548 -6.519 1.00 0.00 N ATOM 1211 CA HIS A 75 -28.250 -1.239 -5.616 1.00 0.00 C ATOM 1212 C HIS A 75 -28.562 -2.736 -5.580 1.00 0.00 C ATOM 1213 O HIS A 75 -29.663 -3.152 -5.271 1.00 0.00 O ATOM 1214 CB HIS A 75 -28.336 -0.633 -4.192 1.00 0.00 C ATOM 1215 CG HIS A 75 -27.161 0.280 -3.944 1.00 0.00 C ATOM 1216 ND1 HIS A 75 -26.143 -0.060 -3.064 1.00 0.00 N ATOM 1217 CD2 HIS A 75 -26.813 1.499 -4.468 1.00 0.00 C ATOM 1218 CE1 HIS A 75 -25.237 0.933 -3.086 1.00 0.00 C ATOM 1219 NE2 HIS A 75 -25.598 1.905 -3.925 1.00 0.00 N ATOM 0 H HIS A 75 -30.207 -0.761 -6.333 1.00 0.00 H new ATOM 0 HA HIS A 75 -27.237 -1.098 -5.994 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -29.267 -0.078 -4.080 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -28.349 -1.431 -3.449 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -27.392 2.057 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -24.331 0.942 -2.498 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -25.090 2.766 -4.126 1.00 0.00 H new ATOM 1227 N HIS A 76 -27.585 -3.545 -5.888 1.00 0.00 N ATOM 1228 CA HIS A 76 -27.791 -5.015 -5.870 1.00 0.00 C ATOM 1229 C HIS A 76 -28.008 -5.472 -4.427 1.00 0.00 C ATOM 1230 O HIS A 76 -28.827 -6.328 -4.150 1.00 0.00 O ATOM 1231 CB HIS A 76 -26.555 -5.709 -6.447 1.00 0.00 C ATOM 1232 CG HIS A 76 -26.503 -5.487 -7.934 1.00 0.00 C ATOM 1233 ND1 HIS A 76 -27.648 -5.293 -8.693 1.00 0.00 N ATOM 1234 CD2 HIS A 76 -25.453 -5.427 -8.818 1.00 0.00 C ATOM 1235 CE1 HIS A 76 -27.264 -5.128 -9.972 1.00 0.00 C ATOM 1236 NE2 HIS A 76 -25.938 -5.202 -10.100 1.00 0.00 N ATOM 0 H HIS A 76 -26.647 -3.245 -6.153 1.00 0.00 H new ATOM 0 HA HIS A 76 -28.663 -5.273 -6.471 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -25.653 -5.317 -5.978 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.589 -6.776 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -24.411 -5.538 -8.556 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.945 -4.957 -10.793 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -25.395 -5.112 -10.959 1.00 0.00 H new ATOM 1244 N HIS A 77 -27.273 -4.910 -3.505 1.00 0.00 N ATOM 1245 CA HIS A 77 -27.424 -5.309 -2.079 1.00 0.00 C ATOM 1246 C HIS A 77 -26.887 -4.196 -1.176 1.00 0.00 C ATOM 1247 O HIS A 77 -26.312 -3.257 -1.702 1.00 0.00 O ATOM 1248 CB HIS A 77 -26.636 -6.596 -1.829 1.00 0.00 C ATOM 1249 CG HIS A 77 -26.756 -6.988 -0.384 1.00 0.00 C ATOM 1250 ND1 HIS A 77 -27.950 -7.433 0.165 1.00 0.00 N ATOM 1251 CD2 HIS A 77 -25.839 -7.014 0.639 1.00 0.00 C ATOM 1252 CE1 HIS A 77 -27.723 -7.705 1.464 1.00 0.00 C ATOM 1253 NE2 HIS A 77 -26.454 -7.467 1.799 1.00 0.00 N ATOM 1254 OXT HIS A 77 -27.060 -4.302 0.026 1.00 0.00 O ATOM 0 H HIS A 77 -26.573 -4.189 -3.680 1.00 0.00 H new ATOM 0 HA HIS A 77 -28.478 -5.477 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -27.015 -7.396 -2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -25.588 -6.449 -2.091 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -24.801 -6.727 0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -28.474 -8.070 2.149 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -26.025 -7.592 2.716 1.00 0.00 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 -9.312 -7.917 -14.669 1.00 0.00 N ATOM 1264 CA MET B 1 -8.807 -9.139 -13.983 1.00 0.00 C ATOM 1265 C MET B 1 -8.177 -8.746 -12.645 1.00 0.00 C ATOM 1266 O MET B 1 -8.281 -7.618 -12.205 1.00 0.00 O ATOM 1267 CB MET B 1 -7.754 -9.823 -14.860 1.00 0.00 C ATOM 1268 CG MET B 1 -6.775 -8.778 -15.395 1.00 0.00 C ATOM 1269 SD MET B 1 -5.389 -9.611 -16.210 1.00 0.00 S ATOM 1270 CE MET B 1 -6.327 -10.346 -17.572 1.00 0.00 C ATOM 0 H1 MET B 1 -9.409 -8.105 -15.687 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.239 -7.656 -14.276 1.00 0.00 H new ATOM 0 H3 MET B 1 -8.642 -7.135 -14.524 1.00 0.00 H new ATOM 0 HA MET B 1 -9.635 -9.826 -13.810 1.00 0.00 H new ATOM 0 HB2 MET B 1 -7.218 -10.576 -14.282 1.00 0.00 H new ATOM 0 HB3 MET B 1 -8.237 -10.341 -15.688 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.281 -8.117 -16.099 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.410 -8.155 -14.579 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.739 -10.294 -18.488 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.548 -11.388 -17.341 1.00 0.00 H new ATOM 0 HE3 MET B 1 -7.260 -9.799 -17.708 1.00 0.00 H new ATOM 1282 N GLU B 2 -7.529 -9.672 -11.995 1.00 0.00 N ATOM 1283 CA GLU B 2 -6.891 -9.367 -10.684 1.00 0.00 C ATOM 1284 C GLU B 2 -5.673 -8.458 -10.875 1.00 0.00 C ATOM 1285 O GLU B 2 -4.904 -8.614 -11.803 1.00 0.00 O ATOM 1286 CB GLU B 2 -6.458 -10.676 -10.023 1.00 0.00 C ATOM 1287 CG GLU B 2 -7.695 -11.434 -9.539 1.00 0.00 C ATOM 1288 CD GLU B 2 -7.281 -12.820 -9.041 1.00 0.00 C ATOM 1289 OE1 GLU B 2 -6.114 -13.149 -9.171 1.00 0.00 O ATOM 1290 OE2 GLU B 2 -8.137 -13.525 -8.532 1.00 0.00 O ATOM 0 H GLU B 2 -7.413 -10.633 -12.318 1.00 0.00 H new ATOM 0 HA GLU B 2 -7.611 -8.849 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -5.898 -11.286 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -5.793 -10.470 -9.184 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -8.184 -10.879 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.418 -11.528 -10.350 1.00 0.00 H new ATOM 1297 N LEU B 3 -5.498 -7.510 -9.993 1.00 0.00 N ATOM 1298 CA LEU B 3 -4.337 -6.577 -10.095 1.00 0.00 C ATOM 1299 C LEU B 3 -3.031 -7.359 -9.939 1.00 0.00 C ATOM 1300 O LEU B 3 -2.071 -7.125 -10.645 1.00 0.00 O ATOM 1301 CB LEU B 3 -4.451 -5.513 -8.990 1.00 0.00 C ATOM 1302 CG LEU B 3 -3.251 -4.521 -9.048 1.00 0.00 C ATOM 1303 CD1 LEU B 3 -3.736 -3.090 -8.773 1.00 0.00 C ATOM 1304 CD2 LEU B 3 -2.199 -4.896 -7.988 1.00 0.00 C ATOM 0 H LEU B 3 -6.115 -7.340 -9.199 1.00 0.00 H new ATOM 0 HA LEU B 3 -4.339 -6.090 -11.070 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -5.387 -4.965 -9.102 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -4.480 -5.998 -8.014 1.00 0.00 H new ATOM 0 HG LEU B 3 -2.808 -4.578 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -2.890 -2.404 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -4.472 -2.805 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -4.191 -3.044 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -1.366 -4.195 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -2.650 -4.852 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -1.836 -5.906 -8.177 1.00 0.00 H new ATOM 1316 N SER B 4 -2.985 -8.286 -9.021 1.00 0.00 N ATOM 1317 CA SER B 4 -1.736 -9.074 -8.826 1.00 0.00 C ATOM 1318 C SER B 4 -1.368 -9.781 -10.134 1.00 0.00 C ATOM 1319 O SER B 4 -0.221 -9.811 -10.532 1.00 0.00 O ATOM 1320 CB SER B 4 -1.960 -10.119 -7.732 1.00 0.00 C ATOM 1321 OG SER B 4 -2.219 -9.461 -6.498 1.00 0.00 O ATOM 0 H SER B 4 -3.756 -8.531 -8.400 1.00 0.00 H new ATOM 0 HA SER B 4 -0.927 -8.405 -8.533 1.00 0.00 H new ATOM 0 HB2 SER B 4 -2.798 -10.764 -7.996 1.00 0.00 H new ATOM 0 HB3 SER B 4 -1.082 -10.758 -7.639 1.00 0.00 H new ATOM 0 HG SER B 4 -3.172 -9.536 -6.281 1.00 0.00 H new ATOM 1327 N ASN B 5 -2.330 -10.350 -10.806 1.00 0.00 N ATOM 1328 CA ASN B 5 -2.029 -11.055 -12.084 1.00 0.00 C ATOM 1329 C ASN B 5 -1.481 -10.063 -13.117 1.00 0.00 C ATOM 1330 O ASN B 5 -0.519 -10.341 -13.806 1.00 0.00 O ATOM 1331 CB ASN B 5 -3.315 -11.686 -12.619 1.00 0.00 C ATOM 1332 CG ASN B 5 -3.051 -12.304 -13.991 1.00 0.00 C ATOM 1333 OD1 ASN B 5 -2.238 -13.198 -14.122 1.00 0.00 O ATOM 1334 ND2 ASN B 5 -3.704 -11.856 -15.027 1.00 0.00 N ATOM 0 H ASN B 5 -3.311 -10.358 -10.526 1.00 0.00 H new ATOM 0 HA ASN B 5 -1.281 -11.827 -11.903 1.00 0.00 H new ATOM 0 HB2 ASN B 5 -3.672 -12.449 -11.928 1.00 0.00 H new ATOM 0 HB3 ASN B 5 -4.098 -10.932 -12.693 1.00 0.00 H new ATOM 0 HD21 ASN B 5 -3.533 -12.256 -15.950 1.00 0.00 H new ATOM 0 HD22 ASN B 5 -4.386 -11.106 -14.915 1.00 0.00 H new ATOM 1341 N GLU B 6 -2.079 -8.908 -13.230 1.00 0.00 N ATOM 1342 CA GLU B 6 -1.587 -7.905 -14.218 1.00 0.00 C ATOM 1343 C GLU B 6 -0.240 -7.349 -13.747 1.00 0.00 C ATOM 1344 O GLU B 6 0.616 -7.012 -14.542 1.00 0.00 O ATOM 1345 CB GLU B 6 -2.626 -6.779 -14.362 1.00 0.00 C ATOM 1346 CG GLU B 6 -2.088 -5.641 -15.247 1.00 0.00 C ATOM 1347 CD GLU B 6 -1.830 -6.148 -16.667 1.00 0.00 C ATOM 1348 OE1 GLU B 6 -2.299 -7.226 -16.987 1.00 0.00 O ATOM 1349 OE2 GLU B 6 -1.154 -5.451 -17.405 1.00 0.00 O ATOM 0 H GLU B 6 -2.887 -8.615 -12.681 1.00 0.00 H new ATOM 0 HA GLU B 6 -1.448 -8.374 -15.192 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.543 -7.179 -14.795 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -2.883 -6.388 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -2.805 -4.820 -15.271 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.166 -5.246 -14.822 1.00 0.00 H new ATOM 1356 N LEU B 7 -0.044 -7.250 -12.464 1.00 0.00 N ATOM 1357 CA LEU B 7 1.249 -6.715 -11.952 1.00 0.00 C ATOM 1358 C LEU B 7 2.392 -7.627 -12.416 1.00 0.00 C ATOM 1359 O LEU B 7 3.414 -7.171 -12.892 1.00 0.00 O ATOM 1360 CB LEU B 7 1.202 -6.692 -10.420 1.00 0.00 C ATOM 1361 CG LEU B 7 2.481 -6.065 -9.852 1.00 0.00 C ATOM 1362 CD1 LEU B 7 2.589 -4.588 -10.278 1.00 0.00 C ATOM 1363 CD2 LEU B 7 2.431 -6.163 -8.324 1.00 0.00 C ATOM 0 H LEU B 7 -0.720 -7.515 -11.748 1.00 0.00 H new ATOM 0 HA LEU B 7 1.414 -5.707 -12.332 1.00 0.00 H new ATOM 0 HB2 LEU B 7 0.333 -6.126 -10.086 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.087 -7.707 -10.039 1.00 0.00 H new ATOM 0 HG LEU B 7 3.352 -6.596 -10.235 1.00 0.00 H new ATOM 0 HD11 LEU B 7 3.502 -4.157 -9.867 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.615 -4.524 -11.366 1.00 0.00 H new ATOM 0 HD13 LEU B 7 1.727 -4.037 -9.903 1.00 0.00 H new ATOM 0 HD21 LEU B 7 3.334 -5.722 -7.901 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.557 -5.627 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU B 7 2.367 -7.210 -8.028 1.00 0.00 H new ATOM 1375 N LYS B 8 2.220 -8.914 -12.290 1.00 0.00 N ATOM 1376 CA LYS B 8 3.287 -9.858 -12.727 1.00 0.00 C ATOM 1377 C LYS B 8 3.477 -9.750 -14.245 1.00 0.00 C ATOM 1378 O LYS B 8 4.580 -9.830 -14.750 1.00 0.00 O ATOM 1379 CB LYS B 8 2.882 -11.285 -12.357 1.00 0.00 C ATOM 1380 CG LYS B 8 4.032 -12.244 -12.672 1.00 0.00 C ATOM 1381 CD LYS B 8 3.642 -13.656 -12.235 1.00 0.00 C ATOM 1382 CE LYS B 8 4.794 -14.617 -12.525 1.00 0.00 C ATOM 1383 NZ LYS B 8 4.413 -15.989 -12.088 1.00 0.00 N ATOM 0 H LYS B 8 1.385 -9.353 -11.903 1.00 0.00 H new ATOM 0 HA LYS B 8 4.224 -9.607 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS B 8 2.630 -11.339 -11.298 1.00 0.00 H new ATOM 0 HB3 LYS B 8 1.990 -11.576 -12.912 1.00 0.00 H new ATOM 0 HG2 LYS B 8 4.252 -12.228 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS B 8 4.938 -11.927 -12.155 1.00 0.00 H new ATOM 0 HD2 LYS B 8 3.405 -13.666 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS B 8 2.745 -13.977 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS B 8 5.026 -14.614 -13.590 1.00 0.00 H new ATOM 0 HE3 LYS B 8 5.694 -14.293 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 5.195 -16.646 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 4.212 -15.985 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 3.565 -16.296 -12.607 1.00 0.00 H new ATOM 1397 N VAL B 9 2.411 -9.574 -14.980 1.00 0.00 N ATOM 1398 CA VAL B 9 2.530 -9.469 -16.463 1.00 0.00 C ATOM 1399 C VAL B 9 3.415 -8.271 -16.831 1.00 0.00 C ATOM 1400 O VAL B 9 4.279 -8.373 -17.679 1.00 0.00 O ATOM 1401 CB VAL B 9 1.136 -9.294 -17.074 1.00 0.00 C ATOM 1402 CG1 VAL B 9 1.263 -9.017 -18.577 1.00 0.00 C ATOM 1403 CG2 VAL B 9 0.325 -10.576 -16.858 1.00 0.00 C ATOM 0 H VAL B 9 1.461 -9.498 -14.616 1.00 0.00 H new ATOM 0 HA VAL B 9 2.985 -10.378 -16.855 1.00 0.00 H new ATOM 0 HB VAL B 9 0.631 -8.455 -16.595 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.270 -8.893 -19.009 1.00 0.00 H new ATOM 0 HG12 VAL B 9 1.842 -8.107 -18.732 1.00 0.00 H new ATOM 0 HG13 VAL B 9 1.767 -9.854 -19.060 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -0.668 -10.456 -17.291 1.00 0.00 H new ATOM 0 HG22 VAL B 9 0.832 -11.413 -17.339 1.00 0.00 H new ATOM 0 HG23 VAL B 9 0.233 -10.773 -15.790 1.00 0.00 H new ATOM 1413 N GLU B 10 3.219 -7.140 -16.205 1.00 0.00 N ATOM 1414 CA GLU B 10 4.060 -5.958 -16.533 1.00 0.00 C ATOM 1415 C GLU B 10 5.524 -6.281 -16.218 1.00 0.00 C ATOM 1416 O GLU B 10 6.425 -5.849 -16.909 1.00 0.00 O ATOM 1417 CB GLU B 10 3.597 -4.768 -15.691 1.00 0.00 C ATOM 1418 CG GLU B 10 2.156 -4.418 -16.065 1.00 0.00 C ATOM 1419 CD GLU B 10 2.111 -3.897 -17.502 1.00 0.00 C ATOM 1420 OE1 GLU B 10 2.826 -2.952 -17.790 1.00 0.00 O ATOM 1421 OE2 GLU B 10 1.366 -4.456 -18.290 1.00 0.00 O ATOM 0 H GLU B 10 2.514 -6.987 -15.483 1.00 0.00 H new ATOM 0 HA GLU B 10 3.965 -5.712 -17.591 1.00 0.00 H new ATOM 0 HB2 GLU B 10 3.661 -5.011 -14.630 1.00 0.00 H new ATOM 0 HB3 GLU B 10 4.248 -3.911 -15.862 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.520 -5.298 -15.966 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.765 -3.664 -15.382 1.00 0.00 H new ATOM 1428 N ARG B 11 5.771 -7.035 -15.183 1.00 0.00 N ATOM 1429 CA ARG B 11 7.181 -7.376 -14.834 1.00 0.00 C ATOM 1430 C ARG B 11 7.830 -8.117 -16.010 1.00 0.00 C ATOM 1431 O ARG B 11 8.960 -7.838 -16.399 1.00 0.00 O ATOM 1432 CB ARG B 11 7.188 -8.282 -13.595 1.00 0.00 C ATOM 1433 CG ARG B 11 8.635 -8.546 -13.173 1.00 0.00 C ATOM 1434 CD ARG B 11 8.685 -9.338 -11.858 1.00 0.00 C ATOM 1435 NE ARG B 11 8.580 -10.799 -12.140 1.00 0.00 N ATOM 1436 CZ ARG B 11 9.055 -11.665 -11.281 1.00 0.00 C ATOM 1437 NH1 ARG B 11 9.613 -11.252 -10.176 1.00 0.00 N ATOM 1438 NH2 ARG B 11 8.975 -12.944 -11.528 1.00 0.00 N ATOM 0 H ARG B 11 5.061 -7.429 -14.565 1.00 0.00 H new ATOM 0 HA ARG B 11 7.740 -6.464 -14.625 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.640 -7.809 -12.781 1.00 0.00 H new ATOM 0 HB3 ARG B 11 6.683 -9.223 -13.815 1.00 0.00 H new ATOM 0 HG2 ARG B 11 9.151 -9.101 -13.956 1.00 0.00 H new ATOM 0 HG3 ARG B 11 9.162 -7.599 -13.053 1.00 0.00 H new ATOM 0 HD2 ARG B 11 9.616 -9.127 -11.331 1.00 0.00 H new ATOM 0 HD3 ARG B 11 7.871 -9.026 -11.204 1.00 0.00 H new ATOM 0 HE ARG B 11 8.139 -11.123 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG B 11 9.679 -10.253 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG B 11 9.983 -11.928 -9.508 1.00 0.00 H new ATOM 0 HH21 ARG B 11 8.542 -13.270 -12.392 1.00 0.00 H new ATOM 0 HH22 ARG B 11 9.346 -13.617 -10.857 1.00 0.00 H new ATOM 1452 N ILE B 12 7.117 -9.057 -16.578 1.00 0.00 N ATOM 1453 CA ILE B 12 7.651 -9.827 -17.736 1.00 0.00 C ATOM 1454 C ILE B 12 7.805 -8.891 -18.940 1.00 0.00 C ATOM 1455 O ILE B 12 8.806 -8.908 -19.630 1.00 0.00 O ATOM 1456 CB ILE B 12 6.665 -10.944 -18.081 1.00 0.00 C ATOM 1457 CG1 ILE B 12 6.629 -11.960 -16.937 1.00 0.00 C ATOM 1458 CG2 ILE B 12 7.107 -11.645 -19.370 1.00 0.00 C ATOM 1459 CD1 ILE B 12 5.419 -12.881 -17.109 1.00 0.00 C ATOM 0 H ILE B 12 6.178 -9.324 -16.283 1.00 0.00 H new ATOM 0 HA ILE B 12 8.622 -10.254 -17.485 1.00 0.00 H new ATOM 0 HB ILE B 12 5.672 -10.517 -18.225 1.00 0.00 H new ATOM 0 HG12 ILE B 12 7.548 -12.547 -16.929 1.00 0.00 H new ATOM 0 HG13 ILE B 12 6.572 -11.443 -15.979 1.00 0.00 H new ATOM 0 HG21 ILE B 12 6.402 -12.440 -19.612 1.00 0.00 H new ATOM 0 HG22 ILE B 12 7.134 -10.923 -20.186 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.100 -12.071 -19.230 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.394 -13.604 -16.294 1.00 0.00 H new ATOM 0 HD12 ILE B 12 4.505 -12.287 -17.096 1.00 0.00 H new ATOM 0 HD13 ILE B 12 5.495 -13.408 -18.060 1.00 0.00 H new ATOM 1471 N ARG B 13 6.818 -8.068 -19.192 1.00 0.00 N ATOM 1472 CA ARG B 13 6.903 -7.123 -20.346 1.00 0.00 C ATOM 1473 C ARG B 13 8.057 -6.157 -20.117 1.00 0.00 C ATOM 1474 O ARG B 13 8.754 -5.772 -21.036 1.00 0.00 O ATOM 1475 CB ARG B 13 5.593 -6.344 -20.490 1.00 0.00 C ATOM 1476 CG ARG B 13 4.511 -7.277 -21.034 1.00 0.00 C ATOM 1477 CD ARG B 13 3.199 -6.508 -21.190 1.00 0.00 C ATOM 1478 NE ARG B 13 2.186 -7.386 -21.840 1.00 0.00 N ATOM 1479 CZ ARG B 13 1.139 -6.857 -22.409 1.00 0.00 C ATOM 1480 NH1 ARG B 13 0.961 -5.565 -22.368 1.00 0.00 N ATOM 1481 NH2 ARG B 13 0.269 -7.616 -23.018 1.00 0.00 N ATOM 0 H ARG B 13 5.957 -8.010 -18.648 1.00 0.00 H new ATOM 0 HA ARG B 13 7.074 -7.688 -21.262 1.00 0.00 H new ATOM 0 HB2 ARG B 13 5.289 -5.939 -19.525 1.00 0.00 H new ATOM 0 HB3 ARG B 13 5.731 -5.497 -21.162 1.00 0.00 H new ATOM 0 HG2 ARG B 13 4.820 -7.687 -21.996 1.00 0.00 H new ATOM 0 HG3 ARG B 13 4.371 -8.121 -20.358 1.00 0.00 H new ATOM 0 HD2 ARG B 13 2.839 -6.179 -20.215 1.00 0.00 H new ATOM 0 HD3 ARG B 13 3.359 -5.612 -21.790 1.00 0.00 H new ATOM 0 HE ARG B 13 2.311 -8.398 -21.840 1.00 0.00 H new ATOM 0 HH11 ARG B 13 1.640 -4.971 -21.892 1.00 0.00 H new ATOM 0 HH12 ARG B 13 0.143 -5.149 -22.812 1.00 0.00 H new ATOM 0 HH21 ARG B 13 0.407 -8.626 -23.050 1.00 0.00 H new ATOM 0 HH22 ARG B 13 -0.549 -7.199 -23.462 1.00 0.00 H new ATOM 1495 N LEU B 14 8.272 -5.771 -18.895 1.00 0.00 N ATOM 1496 CA LEU B 14 9.389 -4.843 -18.599 1.00 0.00 C ATOM 1497 C LEU B 14 10.684 -5.652 -18.568 1.00 0.00 C ATOM 1498 O LEU B 14 11.761 -5.108 -18.437 1.00 0.00 O ATOM 1499 CB LEU B 14 9.156 -4.201 -17.230 1.00 0.00 C ATOM 1500 CG LEU B 14 7.920 -3.286 -17.284 1.00 0.00 C ATOM 1501 CD1 LEU B 14 7.469 -2.950 -15.857 1.00 0.00 C ATOM 1502 CD2 LEU B 14 8.256 -1.981 -18.028 1.00 0.00 C ATOM 0 H LEU B 14 7.720 -6.059 -18.087 1.00 0.00 H new ATOM 0 HA LEU B 14 9.451 -4.063 -19.357 1.00 0.00 H new ATOM 0 HB2 LEU B 14 9.014 -4.975 -16.475 1.00 0.00 H new ATOM 0 HB3 LEU B 14 10.033 -3.625 -16.935 1.00 0.00 H new ATOM 0 HG LEU B 14 7.121 -3.805 -17.814 1.00 0.00 H new ATOM 0 HD11 LEU B 14 6.593 -2.302 -15.895 1.00 0.00 H new ATOM 0 HD12 LEU B 14 7.217 -3.870 -15.329 1.00 0.00 H new ATOM 0 HD13 LEU B 14 8.276 -2.439 -15.331 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.373 -1.342 -18.059 1.00 0.00 H new ATOM 0 HD22 LEU B 14 9.061 -1.462 -17.507 1.00 0.00 H new ATOM 0 HD23 LEU B 14 8.572 -2.213 -19.045 1.00 0.00 H new ATOM 1514 N SER B 15 10.573 -6.954 -18.695 1.00 0.00 N ATOM 1515 CA SER B 15 11.780 -7.837 -18.681 1.00 0.00 C ATOM 1516 C SER B 15 12.792 -7.329 -17.653 1.00 0.00 C ATOM 1517 O SER B 15 13.923 -7.035 -17.985 1.00 0.00 O ATOM 1518 CB SER B 15 12.419 -7.853 -20.074 1.00 0.00 C ATOM 1519 OG SER B 15 13.185 -9.041 -20.226 1.00 0.00 O ATOM 0 H SER B 15 9.687 -7.446 -18.809 1.00 0.00 H new ATOM 0 HA SER B 15 11.479 -8.848 -18.408 1.00 0.00 H new ATOM 0 HB2 SER B 15 11.647 -7.804 -20.842 1.00 0.00 H new ATOM 0 HB3 SER B 15 13.055 -6.977 -20.205 1.00 0.00 H new ATOM 0 HG SER B 15 13.594 -9.055 -21.117 1.00 0.00 H new ATOM 1525 N LEU B 16 12.388 -7.209 -16.412 1.00 0.00 N ATOM 1526 CA LEU B 16 13.329 -6.699 -15.357 1.00 0.00 C ATOM 1527 C LEU B 16 13.776 -7.852 -14.452 1.00 0.00 C ATOM 1528 O LEU B 16 13.067 -8.824 -14.271 1.00 0.00 O ATOM 1529 CB LEU B 16 12.610 -5.615 -14.545 1.00 0.00 C ATOM 1530 CG LEU B 16 11.532 -6.246 -13.637 1.00 0.00 C ATOM 1531 CD1 LEU B 16 12.156 -6.818 -12.336 1.00 0.00 C ATOM 1532 CD2 LEU B 16 10.474 -5.182 -13.288 1.00 0.00 C ATOM 0 H LEU B 16 11.451 -7.440 -16.081 1.00 0.00 H new ATOM 0 HA LEU B 16 14.219 -6.273 -15.820 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.331 -5.069 -13.937 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.149 -4.893 -15.219 1.00 0.00 H new ATOM 0 HG LEU B 16 11.065 -7.071 -14.175 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.372 -7.255 -11.718 1.00 0.00 H new ATOM 0 HD12 LEU B 16 12.888 -7.585 -12.590 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.647 -6.016 -11.785 1.00 0.00 H new ATOM 0 HD21 LEU B 16 9.711 -5.624 -12.647 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.951 -4.352 -12.766 1.00 0.00 H new ATOM 0 HD23 LEU B 16 10.010 -4.816 -14.204 1.00 0.00 H new ATOM 1544 N THR B 17 14.964 -7.762 -13.897 1.00 0.00 N ATOM 1545 CA THR B 17 15.478 -8.863 -13.021 1.00 0.00 C ATOM 1546 C THR B 17 15.165 -8.567 -11.552 1.00 0.00 C ATOM 1547 O THR B 17 15.308 -7.456 -11.081 1.00 0.00 O ATOM 1548 CB THR B 17 16.994 -8.987 -13.196 1.00 0.00 C ATOM 1549 OG1 THR B 17 17.581 -7.697 -13.125 1.00 0.00 O ATOM 1550 CG2 THR B 17 17.302 -9.621 -14.552 1.00 0.00 C ATOM 0 H THR B 17 15.599 -6.972 -14.014 1.00 0.00 H new ATOM 0 HA THR B 17 14.991 -9.795 -13.308 1.00 0.00 H new ATOM 0 HB THR B 17 17.404 -9.616 -12.406 1.00 0.00 H new ATOM 0 HG1 THR B 17 18.552 -7.773 -13.235 1.00 0.00 H new ATOM 0 HG21 THR B 17 18.381 -9.709 -14.676 1.00 0.00 H new ATOM 0 HG22 THR B 17 16.849 -10.611 -14.602 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.895 -8.996 -15.347 1.00 0.00 H new ATOM 1558 N ALA B 18 14.744 -9.568 -10.828 1.00 0.00 N ATOM 1559 CA ALA B 18 14.419 -9.376 -9.388 1.00 0.00 C ATOM 1560 C ALA B 18 15.689 -9.006 -8.612 1.00 0.00 C ATOM 1561 O ALA B 18 15.649 -8.225 -7.683 1.00 0.00 O ATOM 1562 CB ALA B 18 13.835 -10.676 -8.824 1.00 0.00 C ATOM 0 H ALA B 18 14.611 -10.517 -11.176 1.00 0.00 H new ATOM 0 HA ALA B 18 13.691 -8.571 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA B 18 13.596 -10.540 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA B 18 12.929 -10.935 -9.371 1.00 0.00 H new ATOM 0 HB3 ALA B 18 14.565 -11.479 -8.930 1.00 0.00 H new ATOM 1568 N LYS B 19 16.811 -9.566 -8.975 1.00 0.00 N ATOM 1569 CA LYS B 19 18.069 -9.253 -8.248 1.00 0.00 C ATOM 1570 C LYS B 19 18.378 -7.760 -8.365 1.00 0.00 C ATOM 1571 O LYS B 19 18.738 -7.115 -7.400 1.00 0.00 O ATOM 1572 CB LYS B 19 19.212 -10.052 -8.868 1.00 0.00 C ATOM 1573 CG LYS B 19 18.999 -11.544 -8.599 1.00 0.00 C ATOM 1574 CD LYS B 19 20.208 -12.348 -9.092 1.00 0.00 C ATOM 1575 CE LYS B 19 20.266 -12.339 -10.622 1.00 0.00 C ATOM 1576 NZ LYS B 19 21.195 -13.408 -11.083 1.00 0.00 N ATOM 0 H LYS B 19 16.908 -10.228 -9.745 1.00 0.00 H new ATOM 0 HA LYS B 19 17.956 -9.515 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS B 19 19.257 -9.868 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS B 19 20.165 -9.729 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS B 19 18.852 -11.711 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.095 -11.887 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS B 19 21.126 -11.924 -8.684 1.00 0.00 H new ATOM 0 HD3 LYS B 19 20.143 -13.374 -8.730 1.00 0.00 H new ATOM 0 HE2 LYS B 19 19.271 -12.502 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS B 19 20.605 -11.367 -10.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 21.238 -13.406 -12.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 22.145 -13.233 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 20.852 -14.332 -10.752 1.00 0.00 H new ATOM 1590 N SER B 20 18.241 -7.203 -9.535 1.00 0.00 N ATOM 1591 CA SER B 20 18.529 -5.751 -9.700 1.00 0.00 C ATOM 1592 C SER B 20 17.566 -4.941 -8.829 1.00 0.00 C ATOM 1593 O SER B 20 17.956 -4.011 -8.152 1.00 0.00 O ATOM 1594 CB SER B 20 18.348 -5.362 -11.169 1.00 0.00 C ATOM 1595 OG SER B 20 18.661 -3.985 -11.333 1.00 0.00 O ATOM 0 H SER B 20 17.943 -7.688 -10.382 1.00 0.00 H new ATOM 0 HA SER B 20 19.554 -5.542 -9.395 1.00 0.00 H new ATOM 0 HB2 SER B 20 18.994 -5.971 -11.801 1.00 0.00 H new ATOM 0 HB3 SER B 20 17.322 -5.554 -11.484 1.00 0.00 H new ATOM 0 HG SER B 20 17.985 -3.440 -10.879 1.00 0.00 H new ATOM 1601 N VAL B 21 16.310 -5.291 -8.840 1.00 0.00 N ATOM 1602 CA VAL B 21 15.316 -4.548 -8.016 1.00 0.00 C ATOM 1603 C VAL B 21 15.640 -4.723 -6.532 1.00 0.00 C ATOM 1604 O VAL B 21 15.605 -3.783 -5.765 1.00 0.00 O ATOM 1605 CB VAL B 21 13.918 -5.098 -8.301 1.00 0.00 C ATOM 1606 CG1 VAL B 21 12.903 -4.445 -7.360 1.00 0.00 C ATOM 1607 CG2 VAL B 21 13.542 -4.800 -9.753 1.00 0.00 C ATOM 0 H VAL B 21 15.928 -6.063 -9.386 1.00 0.00 H new ATOM 0 HA VAL B 21 15.354 -3.488 -8.268 1.00 0.00 H new ATOM 0 HB VAL B 21 13.912 -6.176 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL B 21 11.908 -4.840 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL B 21 13.172 -4.663 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL B 21 12.904 -3.366 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL B 21 12.546 -5.191 -9.958 1.00 0.00 H new ATOM 0 HG22 VAL B 21 13.550 -3.722 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL B 21 14.262 -5.274 -10.420 1.00 0.00 H new ATOM 1617 N ALA B 22 15.945 -5.920 -6.121 1.00 0.00 N ATOM 1618 CA ALA B 22 16.260 -6.153 -4.685 1.00 0.00 C ATOM 1619 C ALA B 22 17.443 -5.277 -4.257 1.00 0.00 C ATOM 1620 O ALA B 22 17.399 -4.625 -3.233 1.00 0.00 O ATOM 1621 CB ALA B 22 16.618 -7.627 -4.477 1.00 0.00 C ATOM 0 H ALA B 22 15.990 -6.747 -6.716 1.00 0.00 H new ATOM 0 HA ALA B 22 15.389 -5.895 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA B 22 16.849 -7.800 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA B 22 15.774 -8.251 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA B 22 17.486 -7.880 -5.086 1.00 0.00 H new ATOM 1627 N GLU B 23 18.502 -5.258 -5.022 1.00 0.00 N ATOM 1628 CA GLU B 23 19.675 -4.422 -4.631 1.00 0.00 C ATOM 1629 C GLU B 23 19.326 -2.933 -4.711 1.00 0.00 C ATOM 1630 O GLU B 23 19.638 -2.168 -3.822 1.00 0.00 O ATOM 1631 CB GLU B 23 20.856 -4.699 -5.562 1.00 0.00 C ATOM 1632 CG GLU B 23 21.421 -6.090 -5.284 1.00 0.00 C ATOM 1633 CD GLU B 23 22.695 -6.287 -6.107 1.00 0.00 C ATOM 1634 OE1 GLU B 23 22.875 -5.553 -7.066 1.00 0.00 O ATOM 1635 OE2 GLU B 23 23.475 -7.156 -5.756 1.00 0.00 O ATOM 0 H GLU B 23 18.606 -5.780 -5.892 1.00 0.00 H new ATOM 0 HA GLU B 23 19.943 -4.679 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.535 -4.628 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU B 23 21.631 -3.946 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU B 23 21.639 -6.202 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.686 -6.853 -5.541 1.00 0.00 H new ATOM 1642 N GLU B 24 18.696 -2.513 -5.771 1.00 0.00 N ATOM 1643 CA GLU B 24 18.347 -1.069 -5.901 1.00 0.00 C ATOM 1644 C GLU B 24 17.326 -0.671 -4.835 1.00 0.00 C ATOM 1645 O GLU B 24 17.474 0.336 -4.173 1.00 0.00 O ATOM 1646 CB GLU B 24 17.774 -0.815 -7.295 1.00 0.00 C ATOM 1647 CG GLU B 24 18.902 -0.893 -8.322 1.00 0.00 C ATOM 1648 CD GLU B 24 18.318 -0.804 -9.732 1.00 0.00 C ATOM 1649 OE1 GLU B 24 17.436 -1.591 -10.036 1.00 0.00 O ATOM 1650 OE2 GLU B 24 18.780 0.031 -10.491 1.00 0.00 O ATOM 0 H GLU B 24 18.408 -3.103 -6.551 1.00 0.00 H new ATOM 0 HA GLU B 24 19.245 -0.467 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU B 24 17.005 -1.552 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU B 24 17.298 0.165 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU B 24 19.612 -0.082 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU B 24 19.452 -1.827 -8.203 1.00 0.00 H new ATOM 1657 N MET B 25 16.297 -1.449 -4.654 1.00 0.00 N ATOM 1658 CA MET B 25 15.287 -1.100 -3.618 1.00 0.00 C ATOM 1659 C MET B 25 15.929 -1.192 -2.233 1.00 0.00 C ATOM 1660 O MET B 25 15.663 -0.388 -1.361 1.00 0.00 O ATOM 1661 CB MET B 25 14.098 -2.061 -3.697 1.00 0.00 C ATOM 1662 CG MET B 25 13.225 -1.703 -4.900 1.00 0.00 C ATOM 1663 SD MET B 25 11.837 -2.863 -5.002 1.00 0.00 S ATOM 1664 CE MET B 25 10.955 -2.322 -3.516 1.00 0.00 C ATOM 0 H MET B 25 16.112 -2.306 -5.175 1.00 0.00 H new ATOM 0 HA MET B 25 14.933 -0.084 -3.792 1.00 0.00 H new ATOM 0 HB2 MET B 25 14.453 -3.088 -3.786 1.00 0.00 H new ATOM 0 HB3 MET B 25 13.511 -2.005 -2.780 1.00 0.00 H new ATOM 0 HG2 MET B 25 12.854 -0.683 -4.803 1.00 0.00 H new ATOM 0 HG3 MET B 25 13.815 -1.743 -5.816 1.00 0.00 H new ATOM 0 HE1 MET B 25 9.911 -2.629 -3.581 1.00 0.00 H new ATOM 0 HE2 MET B 25 11.412 -2.775 -2.636 1.00 0.00 H new ATOM 0 HE3 MET B 25 11.010 -1.236 -3.435 1.00 0.00 H new ATOM 1674 N GLY B 26 16.770 -2.172 -2.019 1.00 0.00 N ATOM 1675 CA GLY B 26 17.429 -2.327 -0.687 1.00 0.00 C ATOM 1676 C GLY B 26 16.667 -3.361 0.144 1.00 0.00 C ATOM 1677 O GLY B 26 16.603 -3.268 1.355 1.00 0.00 O ATOM 0 H GLY B 26 17.029 -2.874 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY B 26 18.465 -2.641 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY B 26 17.449 -1.370 -0.166 1.00 0.00 H new ATOM 1681 N ILE B 27 16.092 -4.351 -0.500 1.00 0.00 N ATOM 1682 CA ILE B 27 15.329 -5.413 0.236 1.00 0.00 C ATOM 1683 C ILE B 27 15.860 -6.796 -0.150 1.00 0.00 C ATOM 1684 O ILE B 27 16.555 -6.957 -1.135 1.00 0.00 O ATOM 1685 CB ILE B 27 13.835 -5.314 -0.101 1.00 0.00 C ATOM 1686 CG1 ILE B 27 13.611 -5.471 -1.610 1.00 0.00 C ATOM 1687 CG2 ILE B 27 13.305 -3.952 0.346 1.00 0.00 C ATOM 1688 CD1 ILE B 27 12.113 -5.624 -1.880 1.00 0.00 C ATOM 0 H ILE B 27 16.119 -4.470 -1.513 1.00 0.00 H new ATOM 0 HA ILE B 27 15.461 -5.267 1.308 1.00 0.00 H new ATOM 0 HB ILE B 27 13.305 -6.112 0.419 1.00 0.00 H new ATOM 0 HG12 ILE B 27 14.002 -4.603 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE B 27 14.151 -6.342 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE B 27 12.244 -3.879 0.108 1.00 0.00 H new ATOM 0 HG22 ILE B 27 13.444 -3.843 1.422 1.00 0.00 H new ATOM 0 HG23 ILE B 27 13.849 -3.162 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE B 27 11.946 -5.736 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE B 27 11.738 -6.505 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE B 27 11.586 -4.740 -1.521 1.00 0.00 H new ATOM 1700 N SER B 28 15.545 -7.792 0.634 1.00 0.00 N ATOM 1701 CA SER B 28 16.030 -9.168 0.339 1.00 0.00 C ATOM 1702 C SER B 28 15.165 -9.813 -0.745 1.00 0.00 C ATOM 1703 O SER B 28 14.031 -9.433 -0.971 1.00 0.00 O ATOM 1704 CB SER B 28 15.956 -10.011 1.615 1.00 0.00 C ATOM 1705 OG SER B 28 17.040 -9.667 2.469 1.00 0.00 O ATOM 0 H SER B 28 14.969 -7.709 1.471 1.00 0.00 H new ATOM 0 HA SER B 28 17.060 -9.116 -0.015 1.00 0.00 H new ATOM 0 HB2 SER B 28 15.008 -9.838 2.124 1.00 0.00 H new ATOM 0 HB3 SER B 28 15.996 -11.072 1.367 1.00 0.00 H new ATOM 0 HG SER B 28 16.995 -10.204 3.288 1.00 0.00 H new ATOM 1711 N ARG B 29 15.696 -10.805 -1.405 1.00 0.00 N ATOM 1712 CA ARG B 29 14.922 -11.503 -2.466 1.00 0.00 C ATOM 1713 C ARG B 29 13.682 -12.147 -1.845 1.00 0.00 C ATOM 1714 O ARG B 29 12.630 -12.201 -2.449 1.00 0.00 O ATOM 1715 CB ARG B 29 15.794 -12.586 -3.111 1.00 0.00 C ATOM 1716 CG ARG B 29 16.827 -11.936 -4.036 1.00 0.00 C ATOM 1717 CD ARG B 29 17.737 -13.016 -4.632 1.00 0.00 C ATOM 1718 NE ARG B 29 18.706 -13.488 -3.598 1.00 0.00 N ATOM 1719 CZ ARG B 29 19.859 -12.880 -3.448 1.00 0.00 C ATOM 1720 NH1 ARG B 29 20.168 -11.858 -4.199 1.00 0.00 N ATOM 1721 NH2 ARG B 29 20.704 -13.297 -2.543 1.00 0.00 N ATOM 0 H ARG B 29 16.639 -11.163 -1.253 1.00 0.00 H new ATOM 0 HA ARG B 29 14.618 -10.785 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG B 29 16.298 -13.168 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG B 29 15.171 -13.279 -3.676 1.00 0.00 H new ATOM 0 HG2 ARG B 29 16.323 -11.390 -4.834 1.00 0.00 H new ATOM 0 HG3 ARG B 29 17.422 -11.211 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG B 29 17.137 -13.853 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG B 29 18.275 -12.617 -5.492 1.00 0.00 H new ATOM 0 HE ARG B 29 18.471 -14.285 -3.007 1.00 0.00 H new ATOM 0 HH11 ARG B 29 19.512 -11.528 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG B 29 21.066 -11.389 -4.078 1.00 0.00 H new ATOM 0 HH21 ARG B 29 20.467 -14.095 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG B 29 21.600 -12.825 -2.426 1.00 0.00 H new ATOM 1735 N GLN B 30 13.799 -12.638 -0.644 1.00 0.00 N ATOM 1736 CA GLN B 30 12.632 -13.283 0.015 1.00 0.00 C ATOM 1737 C GLN B 30 11.496 -12.266 0.163 1.00 0.00 C ATOM 1738 O GLN B 30 10.340 -12.583 -0.040 1.00 0.00 O ATOM 1739 CB GLN B 30 13.047 -13.784 1.399 1.00 0.00 C ATOM 1740 CG GLN B 30 11.897 -14.575 2.023 1.00 0.00 C ATOM 1741 CD GLN B 30 12.320 -15.063 3.408 1.00 0.00 C ATOM 1742 OE1 GLN B 30 13.489 -15.055 3.737 1.00 0.00 O ATOM 1743 NE2 GLN B 30 11.412 -15.494 4.238 1.00 0.00 N ATOM 0 H GLN B 30 14.655 -12.620 -0.089 1.00 0.00 H new ATOM 0 HA GLN B 30 12.290 -14.121 -0.593 1.00 0.00 H new ATOM 0 HB2 GLN B 30 13.933 -14.413 1.319 1.00 0.00 H new ATOM 0 HB3 GLN B 30 13.311 -12.941 2.038 1.00 0.00 H new ATOM 0 HG2 GLN B 30 11.008 -13.949 2.100 1.00 0.00 H new ATOM 0 HG3 GLN B 30 11.636 -15.422 1.389 1.00 0.00 H new ATOM 0 HE21 GLN B 30 10.430 -15.501 3.961 1.00 0.00 H new ATOM 0 HE22 GLN B 30 11.683 -15.825 5.164 1.00 0.00 H new ATOM 1752 N GLN B 31 11.809 -11.049 0.514 1.00 0.00 N ATOM 1753 CA GLN B 31 10.736 -10.026 0.670 1.00 0.00 C ATOM 1754 C GLN B 31 10.049 -9.804 -0.677 1.00 0.00 C ATOM 1755 O GLN B 31 8.838 -9.770 -0.769 1.00 0.00 O ATOM 1756 CB GLN B 31 11.351 -8.710 1.146 1.00 0.00 C ATOM 1757 CG GLN B 31 11.871 -8.881 2.571 1.00 0.00 C ATOM 1758 CD GLN B 31 12.569 -7.596 3.018 1.00 0.00 C ATOM 1759 OE1 GLN B 31 13.585 -7.221 2.468 1.00 0.00 O ATOM 1760 NE2 GLN B 31 12.063 -6.903 3.999 1.00 0.00 N ATOM 0 H GLN B 31 12.756 -10.719 0.699 1.00 0.00 H new ATOM 0 HA GLN B 31 10.006 -10.373 1.402 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.164 -8.415 0.483 1.00 0.00 H new ATOM 0 HB3 GLN B 31 10.607 -7.914 1.111 1.00 0.00 H new ATOM 0 HG2 GLN B 31 11.046 -9.112 3.245 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.566 -9.720 2.618 1.00 0.00 H new ATOM 0 HE21 GLN B 31 11.210 -7.219 4.460 1.00 0.00 H new ATOM 0 HE22 GLN B 31 12.520 -6.044 4.306 1.00 0.00 H new ATOM 1769 N LEU B 32 10.811 -9.662 -1.722 1.00 0.00 N ATOM 1770 CA LEU B 32 10.203 -9.452 -3.064 1.00 0.00 C ATOM 1771 C LEU B 32 9.395 -10.693 -3.459 1.00 0.00 C ATOM 1772 O LEU B 32 8.319 -10.593 -4.016 1.00 0.00 O ATOM 1773 CB LEU B 32 11.315 -9.195 -4.086 1.00 0.00 C ATOM 1774 CG LEU B 32 10.735 -9.074 -5.504 1.00 0.00 C ATOM 1775 CD1 LEU B 32 9.646 -7.991 -5.543 1.00 0.00 C ATOM 1776 CD2 LEU B 32 11.866 -8.696 -6.468 1.00 0.00 C ATOM 0 H LEU B 32 11.831 -9.682 -1.706 1.00 0.00 H new ATOM 0 HA LEU B 32 9.535 -8.591 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU B 32 11.849 -8.281 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU B 32 12.041 -10.008 -4.053 1.00 0.00 H new ATOM 0 HG LEU B 32 10.292 -10.026 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.244 -7.916 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU B 32 8.845 -8.255 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.075 -7.033 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU B 32 11.468 -8.607 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU B 32 12.300 -7.744 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.635 -9.468 -6.448 1.00 0.00 H new ATOM 1788 N CYS B 33 9.905 -11.859 -3.175 1.00 0.00 N ATOM 1789 CA CYS B 33 9.171 -13.105 -3.533 1.00 0.00 C ATOM 1790 C CYS B 33 7.812 -13.120 -2.832 1.00 0.00 C ATOM 1791 O CYS B 33 6.828 -13.585 -3.375 1.00 0.00 O ATOM 1792 CB CYS B 33 9.986 -14.321 -3.087 1.00 0.00 C ATOM 1793 SG CYS B 33 11.538 -14.378 -4.016 1.00 0.00 S ATOM 0 H CYS B 33 10.801 -12.003 -2.709 1.00 0.00 H new ATOM 0 HA CYS B 33 9.022 -13.140 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS B 33 10.191 -14.263 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS B 33 9.416 -15.235 -3.253 1.00 0.00 H new ATOM 0 HG CYS B 33 12.420 -13.622 -3.434 1.00 0.00 H new ATOM 1799 N ASN B 34 7.743 -12.618 -1.631 1.00 0.00 N ATOM 1800 CA ASN B 34 6.444 -12.611 -0.905 1.00 0.00 C ATOM 1801 C ASN B 34 5.446 -11.755 -1.687 1.00 0.00 C ATOM 1802 O ASN B 34 4.285 -12.091 -1.812 1.00 0.00 O ATOM 1803 CB ASN B 34 6.644 -12.010 0.487 1.00 0.00 C ATOM 1804 CG ASN B 34 7.531 -12.940 1.314 1.00 0.00 C ATOM 1805 OD1 ASN B 34 7.796 -14.056 0.915 1.00 0.00 O ATOM 1806 ND2 ASN B 34 8.001 -12.528 2.459 1.00 0.00 N ATOM 0 H ASN B 34 8.529 -12.213 -1.122 1.00 0.00 H new ATOM 0 HA ASN B 34 6.067 -13.629 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN B 34 7.104 -11.025 0.408 1.00 0.00 H new ATOM 0 HB3 ASN B 34 5.681 -11.874 0.979 1.00 0.00 H new ATOM 0 HD21 ASN B 34 8.591 -13.143 3.019 1.00 0.00 H new ATOM 0 HD22 ASN B 34 7.778 -11.591 2.794 1.00 0.00 H new ATOM 1813 N ILE B 35 5.896 -10.652 -2.214 1.00 0.00 N ATOM 1814 CA ILE B 35 4.987 -9.764 -2.991 1.00 0.00 C ATOM 1815 C ILE B 35 4.476 -10.504 -4.232 1.00 0.00 C ATOM 1816 O ILE B 35 3.311 -10.437 -4.570 1.00 0.00 O ATOM 1817 CB ILE B 35 5.753 -8.515 -3.429 1.00 0.00 C ATOM 1818 CG1 ILE B 35 6.373 -7.840 -2.202 1.00 0.00 C ATOM 1819 CG2 ILE B 35 4.793 -7.540 -4.113 1.00 0.00 C ATOM 1820 CD1 ILE B 35 7.282 -6.690 -2.646 1.00 0.00 C ATOM 0 H ILE B 35 6.859 -10.325 -2.140 1.00 0.00 H new ATOM 0 HA ILE B 35 4.141 -9.479 -2.366 1.00 0.00 H new ATOM 0 HB ILE B 35 6.541 -8.800 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE B 35 5.587 -7.463 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.946 -8.567 -1.626 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.339 -6.650 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.350 -8.018 -4.986 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.005 -7.256 -3.416 1.00 0.00 H new ATOM 0 HD11 ILE B 35 7.720 -6.213 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE B 35 8.076 -7.079 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.697 -5.958 -3.203 1.00 0.00 H new ATOM 1832 N GLU B 36 5.339 -11.202 -4.920 1.00 0.00 N ATOM 1833 CA GLU B 36 4.901 -11.933 -6.145 1.00 0.00 C ATOM 1834 C GLU B 36 3.840 -12.974 -5.768 1.00 0.00 C ATOM 1835 O GLU B 36 2.908 -13.221 -6.511 1.00 0.00 O ATOM 1836 CB GLU B 36 6.105 -12.649 -6.778 1.00 0.00 C ATOM 1837 CG GLU B 36 5.797 -12.984 -8.250 1.00 0.00 C ATOM 1838 CD GLU B 36 6.693 -14.130 -8.735 1.00 0.00 C ATOM 1839 OE1 GLU B 36 7.014 -14.991 -7.932 1.00 0.00 O ATOM 1840 OE2 GLU B 36 7.027 -14.138 -9.908 1.00 0.00 O ATOM 0 H GLU B 36 6.327 -11.298 -4.687 1.00 0.00 H new ATOM 0 HA GLU B 36 4.483 -11.221 -6.857 1.00 0.00 H new ATOM 0 HB2 GLU B 36 6.990 -12.016 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU B 36 6.328 -13.562 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU B 36 4.749 -13.264 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU B 36 5.955 -12.102 -8.871 1.00 0.00 H new ATOM 1847 N GLN B 37 3.975 -13.592 -4.626 1.00 0.00 N ATOM 1848 CA GLN B 37 2.976 -14.620 -4.213 1.00 0.00 C ATOM 1849 C GLN B 37 1.743 -13.926 -3.635 1.00 0.00 C ATOM 1850 O GLN B 37 0.794 -14.565 -3.224 1.00 0.00 O ATOM 1851 CB GLN B 37 3.592 -15.528 -3.142 1.00 0.00 C ATOM 1852 CG GLN B 37 4.818 -16.241 -3.715 1.00 0.00 C ATOM 1853 CD GLN B 37 4.389 -17.162 -4.858 1.00 0.00 C ATOM 1854 OE1 GLN B 37 3.516 -17.990 -4.693 1.00 0.00 O ATOM 1855 NE2 GLN B 37 4.971 -17.050 -6.021 1.00 0.00 N ATOM 0 H GLN B 37 4.732 -13.430 -3.962 1.00 0.00 H new ATOM 0 HA GLN B 37 2.689 -15.217 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.876 -14.938 -2.271 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.858 -16.260 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN B 37 5.541 -15.509 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN B 37 5.312 -16.819 -2.935 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.704 -16.355 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.693 -17.658 -6.791 1.00 0.00 H new ATOM 1864 N SER B 38 1.750 -12.623 -3.599 1.00 0.00 N ATOM 1865 CA SER B 38 0.580 -11.888 -3.048 1.00 0.00 C ATOM 1866 C SER B 38 -0.596 -11.992 -4.022 1.00 0.00 C ATOM 1867 O SER B 38 -0.430 -11.899 -5.221 1.00 0.00 O ATOM 1868 CB SER B 38 0.950 -10.418 -2.853 1.00 0.00 C ATOM 1869 OG SER B 38 -0.111 -9.753 -2.179 1.00 0.00 O ATOM 0 H SER B 38 2.516 -12.036 -3.928 1.00 0.00 H new ATOM 0 HA SER B 38 0.296 -12.324 -2.090 1.00 0.00 H new ATOM 0 HB2 SER B 38 1.871 -10.336 -2.276 1.00 0.00 H new ATOM 0 HB3 SER B 38 1.136 -9.946 -3.818 1.00 0.00 H new ATOM 0 HG SER B 38 -0.802 -9.501 -2.826 1.00 0.00 H new ATOM 1875 N GLU B 39 -1.789 -12.178 -3.511 1.00 0.00 N ATOM 1876 CA GLU B 39 -2.992 -12.283 -4.395 1.00 0.00 C ATOM 1877 C GLU B 39 -3.779 -10.972 -4.315 1.00 0.00 C ATOM 1878 O GLU B 39 -4.158 -10.398 -5.317 1.00 0.00 O ATOM 1879 CB GLU B 39 -3.888 -13.437 -3.917 1.00 0.00 C ATOM 1880 CG GLU B 39 -3.032 -14.657 -3.562 1.00 0.00 C ATOM 1881 CD GLU B 39 -2.269 -15.135 -4.799 1.00 0.00 C ATOM 1882 OE1 GLU B 39 -1.402 -14.407 -5.254 1.00 0.00 O ATOM 1883 OE2 GLU B 39 -2.560 -16.223 -5.265 1.00 0.00 O ATOM 0 H GLU B 39 -1.982 -12.262 -2.513 1.00 0.00 H new ATOM 0 HA GLU B 39 -2.677 -12.472 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -4.465 -13.123 -3.048 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -4.603 -13.699 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.331 -14.401 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -3.665 -15.459 -3.182 1.00 0.00 H new ATOM 1890 N THR B 40 -4.021 -10.500 -3.120 1.00 0.00 N ATOM 1891 CA THR B 40 -4.778 -9.227 -2.933 1.00 0.00 C ATOM 1892 C THR B 40 -3.804 -8.123 -2.519 1.00 0.00 C ATOM 1893 O THR B 40 -2.702 -8.390 -2.083 1.00 0.00 O ATOM 1894 CB THR B 40 -5.813 -9.423 -1.825 1.00 0.00 C ATOM 1895 OG1 THR B 40 -5.139 -9.669 -0.601 1.00 0.00 O ATOM 1896 CG2 THR B 40 -6.712 -10.614 -2.163 1.00 0.00 C ATOM 0 H THR B 40 -3.722 -10.949 -2.254 1.00 0.00 H new ATOM 0 HA THR B 40 -5.277 -8.950 -3.862 1.00 0.00 H new ATOM 0 HB THR B 40 -6.427 -8.527 -1.735 1.00 0.00 H new ATOM 0 HG1 THR B 40 -5.796 -9.794 0.115 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.448 -10.750 -1.371 1.00 0.00 H new ATOM 0 HG22 THR B 40 -7.225 -10.427 -3.107 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.104 -11.515 -2.253 1.00 0.00 H new ATOM 1904 N ALA B 41 -4.204 -6.881 -2.647 1.00 0.00 N ATOM 1905 CA ALA B 41 -3.309 -5.748 -2.256 1.00 0.00 C ATOM 1906 C ALA B 41 -3.785 -5.170 -0.906 1.00 0.00 C ATOM 1907 O ALA B 41 -4.972 -5.084 -0.663 1.00 0.00 O ATOM 1908 CB ALA B 41 -3.395 -4.659 -3.329 1.00 0.00 C ATOM 0 H ALA B 41 -5.117 -6.603 -3.007 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.281 -6.098 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -2.747 -3.827 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -3.076 -5.067 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.423 -4.307 -3.408 1.00 0.00 H new ATOM 1914 N PRO B 42 -2.883 -4.762 -0.036 1.00 0.00 N ATOM 1915 CA PRO B 42 -3.263 -4.175 1.290 1.00 0.00 C ATOM 1916 C PRO B 42 -3.993 -2.824 1.147 1.00 0.00 C ATOM 1917 O PRO B 42 -3.919 -2.171 0.126 1.00 0.00 O ATOM 1918 CB PRO B 42 -1.922 -4.013 2.037 1.00 0.00 C ATOM 1919 CG PRO B 42 -0.856 -4.039 0.980 1.00 0.00 C ATOM 1920 CD PRO B 42 -1.420 -4.820 -0.212 1.00 0.00 C ATOM 0 HA PRO B 42 -3.966 -4.814 1.825 1.00 0.00 H new ATOM 0 HB2 PRO B 42 -1.896 -3.077 2.595 1.00 0.00 H new ATOM 0 HB3 PRO B 42 -1.777 -4.818 2.758 1.00 0.00 H new ATOM 0 HG2 PRO B 42 -0.584 -3.026 0.683 1.00 0.00 H new ATOM 0 HG3 PRO B 42 0.049 -4.514 1.358 1.00 0.00 H new ATOM 0 HD2 PRO B 42 -1.117 -4.373 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO B 42 -1.062 -5.849 -0.217 1.00 0.00 H new ATOM 1928 N VAL B 43 -4.708 -2.417 2.168 1.00 0.00 N ATOM 1929 CA VAL B 43 -5.463 -1.124 2.110 1.00 0.00 C ATOM 1930 C VAL B 43 -4.502 0.062 1.955 1.00 0.00 C ATOM 1931 O VAL B 43 -4.839 1.064 1.357 1.00 0.00 O ATOM 1932 CB VAL B 43 -6.275 -0.944 3.394 1.00 0.00 C ATOM 1933 CG1 VAL B 43 -7.446 -1.925 3.406 1.00 0.00 C ATOM 1934 CG2 VAL B 43 -5.383 -1.210 4.608 1.00 0.00 C ATOM 0 H VAL B 43 -4.802 -2.928 3.046 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.129 -1.155 1.247 1.00 0.00 H new ATOM 0 HB VAL B 43 -6.655 0.077 3.435 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -8.022 -1.793 4.322 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -8.087 -1.737 2.545 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -7.066 -2.946 3.360 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.964 -1.081 5.521 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -5.000 -2.230 4.562 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.548 -0.509 4.607 1.00 0.00 H new ATOM 1944 N VAL B 44 -3.315 -0.037 2.491 1.00 0.00 N ATOM 1945 CA VAL B 44 -2.338 1.090 2.378 1.00 0.00 C ATOM 1946 C VAL B 44 -2.313 1.583 0.927 1.00 0.00 C ATOM 1947 O VAL B 44 -2.228 2.768 0.658 1.00 0.00 O ATOM 1948 CB VAL B 44 -0.953 0.564 2.764 1.00 0.00 C ATOM 1949 CG1 VAL B 44 -0.517 -0.501 1.748 1.00 0.00 C ATOM 1950 CG2 VAL B 44 0.062 1.712 2.784 1.00 0.00 C ATOM 0 H VAL B 44 -2.977 -0.851 3.004 1.00 0.00 H new ATOM 0 HA VAL B 44 -2.622 1.912 3.035 1.00 0.00 H new ATOM 0 HB VAL B 44 -0.999 0.123 3.760 1.00 0.00 H new ATOM 0 HG11 VAL B 44 0.469 -0.879 2.018 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -1.234 -1.322 1.751 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -0.476 -0.059 0.753 1.00 0.00 H new ATOM 0 HG21 VAL B 44 1.043 1.325 3.060 1.00 0.00 H new ATOM 0 HG22 VAL B 44 0.116 2.167 1.795 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.250 2.461 3.511 1.00 0.00 H new ATOM 1960 N VAL B 45 -2.414 0.680 -0.008 1.00 0.00 N ATOM 1961 CA VAL B 45 -2.425 1.088 -1.436 1.00 0.00 C ATOM 1962 C VAL B 45 -3.685 1.909 -1.688 1.00 0.00 C ATOM 1963 O VAL B 45 -3.653 2.947 -2.321 1.00 0.00 O ATOM 1964 CB VAL B 45 -2.432 -0.161 -2.321 1.00 0.00 C ATOM 1965 CG1 VAL B 45 -2.631 0.244 -3.782 1.00 0.00 C ATOM 1966 CG2 VAL B 45 -1.096 -0.890 -2.167 1.00 0.00 C ATOM 0 H VAL B 45 -2.489 -0.324 0.158 1.00 0.00 H new ATOM 0 HA VAL B 45 -1.541 1.681 -1.670 1.00 0.00 H new ATOM 0 HB VAL B 45 -3.247 -0.819 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -2.635 -0.647 -4.409 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -3.581 0.767 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.818 0.901 -4.091 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.093 -1.781 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.284 -0.230 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -0.957 -1.179 -1.125 1.00 0.00 H new ATOM 1976 N LYS B 46 -4.793 1.457 -1.174 1.00 0.00 N ATOM 1977 CA LYS B 46 -6.064 2.204 -1.352 1.00 0.00 C ATOM 1978 C LYS B 46 -5.918 3.568 -0.679 1.00 0.00 C ATOM 1979 O LYS B 46 -6.477 4.553 -1.117 1.00 0.00 O ATOM 1980 CB LYS B 46 -7.211 1.435 -0.690 1.00 0.00 C ATOM 1981 CG LYS B 46 -7.333 0.034 -1.298 1.00 0.00 C ATOM 1982 CD LYS B 46 -7.725 0.128 -2.779 1.00 0.00 C ATOM 1983 CE LYS B 46 -8.310 -1.210 -3.244 1.00 0.00 C ATOM 1984 NZ LYS B 46 -9.726 -1.314 -2.798 1.00 0.00 N ATOM 0 H LYS B 46 -4.872 0.595 -0.634 1.00 0.00 H new ATOM 0 HA LYS B 46 -6.281 2.324 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.035 1.359 0.383 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.146 1.979 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -6.386 -0.497 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -8.080 -0.543 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.455 0.925 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -6.853 0.383 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.253 -1.286 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -7.727 -2.036 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.948 -2.305 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.867 -0.728 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -10.354 -0.982 -3.557 1.00 0.00 H new ATOM 1998 N TYR B 47 -5.172 3.628 0.388 1.00 0.00 N ATOM 1999 CA TYR B 47 -4.989 4.922 1.099 1.00 0.00 C ATOM 2000 C TYR B 47 -4.406 5.941 0.117 1.00 0.00 C ATOM 2001 O TYR B 47 -4.864 7.062 0.026 1.00 0.00 O ATOM 2002 CB TYR B 47 -4.020 4.718 2.267 1.00 0.00 C ATOM 2003 CG TYR B 47 -4.092 5.894 3.213 1.00 0.00 C ATOM 2004 CD1 TYR B 47 -5.059 5.910 4.224 1.00 0.00 C ATOM 2005 CD2 TYR B 47 -3.187 6.956 3.093 1.00 0.00 C ATOM 2006 CE1 TYR B 47 -5.124 6.987 5.114 1.00 0.00 C ATOM 2007 CE2 TYR B 47 -3.252 8.033 3.987 1.00 0.00 C ATOM 2008 CZ TYR B 47 -4.222 8.047 4.996 1.00 0.00 C ATOM 2009 OH TYR B 47 -4.287 9.106 5.879 1.00 0.00 O ATOM 0 H TYR B 47 -4.680 2.834 0.799 1.00 0.00 H new ATOM 0 HA TYR B 47 -5.944 5.283 1.481 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -4.267 3.799 2.798 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.003 4.606 1.891 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -5.756 5.090 4.317 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.440 6.945 2.313 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -5.872 6.999 5.893 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.554 8.852 3.898 1.00 0.00 H new ATOM 0 HH TYR B 47 -3.589 9.758 5.660 1.00 0.00 H new ATOM 2019 N ILE B 48 -3.405 5.557 -0.629 1.00 0.00 N ATOM 2020 CA ILE B 48 -2.809 6.506 -1.611 1.00 0.00 C ATOM 2021 C ILE B 48 -3.853 6.873 -2.671 1.00 0.00 C ATOM 2022 O ILE B 48 -3.990 8.019 -3.050 1.00 0.00 O ATOM 2023 CB ILE B 48 -1.599 5.851 -2.291 1.00 0.00 C ATOM 2024 CG1 ILE B 48 -0.478 5.674 -1.261 1.00 0.00 C ATOM 2025 CG2 ILE B 48 -1.115 6.739 -3.444 1.00 0.00 C ATOM 2026 CD1 ILE B 48 0.675 4.867 -1.863 1.00 0.00 C ATOM 0 H ILE B 48 -2.977 4.632 -0.601 1.00 0.00 H new ATOM 0 HA ILE B 48 -2.488 7.408 -1.090 1.00 0.00 H new ATOM 0 HB ILE B 48 -1.882 4.876 -2.689 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.117 6.650 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.864 5.166 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -0.256 6.273 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -1.918 6.860 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -0.827 7.716 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE B 48 1.464 4.749 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.312 3.885 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.071 5.391 -2.733 1.00 0.00 H new ATOM 2038 N ALA B 49 -4.579 5.907 -3.161 1.00 0.00 N ATOM 2039 CA ALA B 49 -5.601 6.194 -4.210 1.00 0.00 C ATOM 2040 C ALA B 49 -6.671 7.145 -3.664 1.00 0.00 C ATOM 2041 O ALA B 49 -7.148 8.018 -4.362 1.00 0.00 O ATOM 2042 CB ALA B 49 -6.265 4.882 -4.640 1.00 0.00 C ATOM 0 H ALA B 49 -4.510 4.929 -2.881 1.00 0.00 H new ATOM 0 HA ALA B 49 -5.111 6.663 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -7.013 5.087 -5.406 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -5.510 4.206 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -6.746 4.418 -3.779 1.00 0.00 H new ATOM 2048 N PHE B 50 -7.065 6.978 -2.434 1.00 0.00 N ATOM 2049 CA PHE B 50 -8.117 7.868 -1.868 1.00 0.00 C ATOM 2050 C PHE B 50 -7.618 9.318 -1.864 1.00 0.00 C ATOM 2051 O PHE B 50 -8.307 10.224 -2.292 1.00 0.00 O ATOM 2052 CB PHE B 50 -8.436 7.420 -0.434 1.00 0.00 C ATOM 2053 CG PHE B 50 -9.835 7.847 -0.054 1.00 0.00 C ATOM 2054 CD1 PHE B 50 -10.910 6.988 -0.308 1.00 0.00 C ATOM 2055 CD2 PHE B 50 -10.060 9.090 0.554 1.00 0.00 C ATOM 2056 CE1 PHE B 50 -12.207 7.366 0.044 1.00 0.00 C ATOM 2057 CE2 PHE B 50 -11.362 9.469 0.907 1.00 0.00 C ATOM 2058 CZ PHE B 50 -12.436 8.606 0.652 1.00 0.00 C ATOM 0 H PHE B 50 -6.706 6.267 -1.797 1.00 0.00 H new ATOM 0 HA PHE B 50 -9.019 7.806 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE B 50 -8.344 6.337 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE B 50 -7.715 7.853 0.259 1.00 0.00 H new ATOM 0 HD1 PHE B 50 -10.736 6.031 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE B 50 -9.231 9.754 0.750 1.00 0.00 H new ATOM 0 HE1 PHE B 50 -13.035 6.701 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE B 50 -11.538 10.426 1.376 1.00 0.00 H new ATOM 0 HZ PHE B 50 -13.440 8.897 0.924 1.00 0.00 H new ATOM 2068 N LEU B 51 -6.425 9.546 -1.387 1.00 0.00 N ATOM 2069 CA LEU B 51 -5.891 10.934 -1.360 1.00 0.00 C ATOM 2070 C LEU B 51 -5.768 11.452 -2.795 1.00 0.00 C ATOM 2071 O LEU B 51 -6.098 12.586 -3.084 1.00 0.00 O ATOM 2072 CB LEU B 51 -4.517 10.942 -0.682 1.00 0.00 C ATOM 2073 CG LEU B 51 -4.664 10.592 0.809 1.00 0.00 C ATOM 2074 CD1 LEU B 51 -3.271 10.489 1.443 1.00 0.00 C ATOM 2075 CD2 LEU B 51 -5.491 11.671 1.539 1.00 0.00 C ATOM 0 H LEU B 51 -5.799 8.831 -1.016 1.00 0.00 H new ATOM 0 HA LEU B 51 -6.567 11.579 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -3.858 10.224 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -4.055 11.923 -0.790 1.00 0.00 H new ATOM 0 HG LEU B 51 -5.183 9.638 0.901 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.370 10.241 2.500 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.699 9.710 0.939 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -2.753 11.443 1.341 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -5.585 11.407 2.592 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.991 12.635 1.450 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -6.483 11.734 1.091 1.00 0.00 H new ATOM 2087 N ARG B 52 -5.313 10.629 -3.701 1.00 0.00 N ATOM 2088 CA ARG B 52 -5.195 11.084 -5.115 1.00 0.00 C ATOM 2089 C ARG B 52 -6.578 11.428 -5.661 1.00 0.00 C ATOM 2090 O ARG B 52 -6.736 12.348 -6.438 1.00 0.00 O ATOM 2091 CB ARG B 52 -4.566 9.989 -5.983 1.00 0.00 C ATOM 2092 CG ARG B 52 -3.060 9.932 -5.718 1.00 0.00 C ATOM 2093 CD ARG B 52 -2.407 8.848 -6.586 1.00 0.00 C ATOM 2094 NE ARG B 52 -3.008 8.851 -7.955 1.00 0.00 N ATOM 2095 CZ ARG B 52 -2.887 9.894 -8.740 1.00 0.00 C ATOM 2096 NH1 ARG B 52 -2.204 10.937 -8.355 1.00 0.00 N ATOM 2097 NH2 ARG B 52 -3.450 9.886 -9.918 1.00 0.00 N ATOM 0 H ARG B 52 -5.020 9.668 -3.525 1.00 0.00 H new ATOM 0 HA ARG B 52 -4.556 11.967 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.022 9.025 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -4.753 10.193 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -2.609 10.901 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -2.877 9.723 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -1.333 9.023 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -2.543 7.870 -6.123 1.00 0.00 H new ATOM 0 HE ARG B 52 -3.519 8.031 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -1.759 10.945 -7.437 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -2.115 11.744 -8.972 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -3.981 9.071 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -3.359 10.695 -10.532 1.00 0.00 H new ATOM 2111 N SER B 53 -7.578 10.697 -5.270 1.00 0.00 N ATOM 2112 CA SER B 53 -8.945 10.988 -5.776 1.00 0.00 C ATOM 2113 C SER B 53 -9.315 12.421 -5.393 1.00 0.00 C ATOM 2114 O SER B 53 -10.205 13.017 -5.967 1.00 0.00 O ATOM 2115 CB SER B 53 -9.945 10.015 -5.152 1.00 0.00 C ATOM 2116 OG SER B 53 -10.154 10.364 -3.791 1.00 0.00 O ATOM 0 H SER B 53 -7.510 9.911 -4.623 1.00 0.00 H new ATOM 0 HA SER B 53 -8.970 10.874 -6.860 1.00 0.00 H new ATOM 0 HB2 SER B 53 -10.889 10.047 -5.696 1.00 0.00 H new ATOM 0 HB3 SER B 53 -9.570 8.994 -5.224 1.00 0.00 H new ATOM 0 HG SER B 53 -9.295 10.586 -3.375 1.00 0.00 H new ATOM 2122 N LYS B 54 -8.634 12.981 -4.426 1.00 0.00 N ATOM 2123 CA LYS B 54 -8.939 14.380 -3.999 1.00 0.00 C ATOM 2124 C LYS B 54 -7.964 15.339 -4.689 1.00 0.00 C ATOM 2125 O LYS B 54 -8.040 16.541 -4.526 1.00 0.00 O ATOM 2126 CB LYS B 54 -8.771 14.495 -2.482 1.00 0.00 C ATOM 2127 CG LYS B 54 -9.645 13.451 -1.775 1.00 0.00 C ATOM 2128 CD LYS B 54 -11.131 13.733 -2.038 1.00 0.00 C ATOM 2129 CE LYS B 54 -11.984 12.995 -1.002 1.00 0.00 C ATOM 2130 NZ LYS B 54 -11.949 13.737 0.290 1.00 0.00 N ATOM 0 H LYS B 54 -7.878 12.528 -3.912 1.00 0.00 H new ATOM 0 HA LYS B 54 -9.963 14.633 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.725 14.348 -2.212 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.048 15.496 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.389 12.453 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -9.449 13.469 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -11.323 14.805 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -11.401 13.410 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -13.011 12.908 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -11.609 11.981 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.852 13.062 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -11.140 14.390 0.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -12.830 14.277 0.404 1.00 0.00 H new ATOM 2144 N GLY B 55 -7.060 14.816 -5.474 1.00 0.00 N ATOM 2145 CA GLY B 55 -6.088 15.693 -6.193 1.00 0.00 C ATOM 2146 C GLY B 55 -4.893 16.038 -5.294 1.00 0.00 C ATOM 2147 O GLY B 55 -4.240 17.042 -5.491 1.00 0.00 O ATOM 0 H GLY B 55 -6.952 13.817 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -5.737 15.191 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -6.585 16.609 -6.511 1.00 0.00 H new ATOM 2151 N VAL B 56 -4.602 15.231 -4.309 1.00 0.00 N ATOM 2152 CA VAL B 56 -3.440 15.539 -3.418 1.00 0.00 C ATOM 2153 C VAL B 56 -2.118 15.365 -4.188 1.00 0.00 C ATOM 2154 O VAL B 56 -1.234 16.191 -4.111 1.00 0.00 O ATOM 2155 CB VAL B 56 -3.462 14.600 -2.207 1.00 0.00 C ATOM 2156 CG1 VAL B 56 -2.182 14.791 -1.382 1.00 0.00 C ATOM 2157 CG2 VAL B 56 -4.684 14.925 -1.337 1.00 0.00 C ATOM 0 H VAL B 56 -5.113 14.378 -4.082 1.00 0.00 H new ATOM 0 HA VAL B 56 -3.515 16.572 -3.079 1.00 0.00 H new ATOM 0 HB VAL B 56 -3.519 13.567 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -2.200 14.122 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -1.313 14.563 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -2.122 15.823 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -4.704 14.259 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -4.624 15.959 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -5.594 14.788 -1.922 1.00 0.00 H new ATOM 2167 N ASP B 57 -1.983 14.290 -4.922 1.00 0.00 N ATOM 2168 CA ASP B 57 -0.724 14.046 -5.691 1.00 0.00 C ATOM 2169 C ASP B 57 0.445 13.838 -4.717 1.00 0.00 C ATOM 2170 O ASP B 57 1.402 14.586 -4.717 1.00 0.00 O ATOM 2171 CB ASP B 57 -0.424 15.243 -6.603 1.00 0.00 C ATOM 2172 CG ASP B 57 -1.731 15.802 -7.162 1.00 0.00 C ATOM 2173 OD1 ASP B 57 -2.213 15.266 -8.147 1.00 0.00 O ATOM 2174 OD2 ASP B 57 -2.221 16.764 -6.601 1.00 0.00 O ATOM 0 H ASP B 57 -2.695 13.566 -5.023 1.00 0.00 H new ATOM 0 HA ASP B 57 -0.851 13.153 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.104 16.016 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP B 57 0.230 14.936 -7.419 1.00 0.00 H new ATOM 2179 N LEU B 58 0.382 12.822 -3.895 1.00 0.00 N ATOM 2180 CA LEU B 58 1.495 12.563 -2.931 1.00 0.00 C ATOM 2181 C LEU B 58 2.536 11.674 -3.605 1.00 0.00 C ATOM 2182 O LEU B 58 3.565 11.354 -3.037 1.00 0.00 O ATOM 2183 CB LEU B 58 0.966 11.851 -1.680 1.00 0.00 C ATOM 2184 CG LEU B 58 0.029 10.682 -2.076 1.00 0.00 C ATOM 2185 CD1 LEU B 58 0.182 9.527 -1.073 1.00 0.00 C ATOM 2186 CD2 LEU B 58 -1.430 11.161 -2.075 1.00 0.00 C ATOM 0 H LEU B 58 -0.392 12.160 -3.849 1.00 0.00 H new ATOM 0 HA LEU B 58 1.938 13.514 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.800 11.472 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.427 12.560 -1.051 1.00 0.00 H new ATOM 0 HG LEU B 58 0.299 10.336 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -0.479 8.708 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU B 58 1.214 9.177 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.080 9.875 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.084 10.335 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.696 11.514 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.546 11.974 -2.791 1.00 0.00 H new ATOM 2198 N ASN B 59 2.277 11.271 -4.811 1.00 0.00 N ATOM 2199 CA ASN B 59 3.245 10.403 -5.522 1.00 0.00 C ATOM 2200 C ASN B 59 4.604 11.105 -5.563 1.00 0.00 C ATOM 2201 O ASN B 59 5.618 10.539 -5.203 1.00 0.00 O ATOM 2202 CB ASN B 59 2.740 10.163 -6.953 1.00 0.00 C ATOM 2203 CG ASN B 59 2.002 11.411 -7.445 1.00 0.00 C ATOM 2204 OD1 ASN B 59 2.226 12.496 -6.946 1.00 0.00 O ATOM 2205 ND2 ASN B 59 1.124 11.305 -8.405 1.00 0.00 N ATOM 0 H ASN B 59 1.435 11.506 -5.336 1.00 0.00 H new ATOM 0 HA ASN B 59 3.346 9.447 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN B 59 3.577 9.938 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN B 59 2.074 9.300 -6.976 1.00 0.00 H new ATOM 0 HD21 ASN B 59 0.627 12.132 -8.735 1.00 0.00 H new ATOM 0 HD22 ASN B 59 0.935 10.395 -8.825 1.00 0.00 H new ATOM 2212 N ALA B 60 4.632 12.336 -5.991 1.00 0.00 N ATOM 2213 CA ALA B 60 5.927 13.069 -6.052 1.00 0.00 C ATOM 2214 C ALA B 60 6.330 13.547 -4.653 1.00 0.00 C ATOM 2215 O ALA B 60 7.488 13.808 -4.388 1.00 0.00 O ATOM 2216 CB ALA B 60 5.789 14.276 -6.981 1.00 0.00 C ATOM 0 H ALA B 60 3.817 12.865 -6.300 1.00 0.00 H new ATOM 0 HA ALA B 60 6.696 12.397 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA B 60 6.737 14.812 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA B 60 5.517 13.937 -7.981 1.00 0.00 H new ATOM 0 HB3 ALA B 60 5.014 14.941 -6.601 1.00 0.00 H new ATOM 2222 N LEU B 61 5.387 13.668 -3.757 1.00 0.00 N ATOM 2223 CA LEU B 61 5.724 14.147 -2.386 1.00 0.00 C ATOM 2224 C LEU B 61 6.799 13.255 -1.770 1.00 0.00 C ATOM 2225 O LEU B 61 7.825 13.732 -1.323 1.00 0.00 O ATOM 2226 CB LEU B 61 4.452 14.091 -1.523 1.00 0.00 C ATOM 2227 CG LEU B 61 4.763 14.400 -0.046 1.00 0.00 C ATOM 2228 CD1 LEU B 61 5.363 15.807 0.078 1.00 0.00 C ATOM 2229 CD2 LEU B 61 3.463 14.313 0.777 1.00 0.00 C ATOM 0 H LEU B 61 4.402 13.457 -3.915 1.00 0.00 H new ATOM 0 HA LEU B 61 6.102 15.168 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU B 61 3.722 14.807 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU B 61 3.999 13.103 -1.602 1.00 0.00 H new ATOM 0 HG LEU B 61 5.483 13.674 0.332 1.00 0.00 H new ATOM 0 HD11 LEU B 61 5.580 16.019 1.125 1.00 0.00 H new ATOM 0 HD12 LEU B 61 6.284 15.862 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU B 61 4.651 16.541 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU B 61 3.679 14.531 1.823 1.00 0.00 H new ATOM 0 HD22 LEU B 61 2.742 15.037 0.397 1.00 0.00 H new ATOM 0 HD23 LEU B 61 3.047 13.309 0.694 1.00 0.00 H new ATOM 2241 N PHE B 62 6.590 11.969 -1.735 1.00 0.00 N ATOM 2242 CA PHE B 62 7.625 11.077 -1.135 1.00 0.00 C ATOM 2243 C PHE B 62 8.687 10.717 -2.179 1.00 0.00 C ATOM 2244 O PHE B 62 9.806 10.383 -1.839 1.00 0.00 O ATOM 2245 CB PHE B 62 6.977 9.816 -0.566 1.00 0.00 C ATOM 2246 CG PHE B 62 6.177 9.102 -1.626 1.00 0.00 C ATOM 2247 CD1 PHE B 62 6.829 8.297 -2.565 1.00 0.00 C ATOM 2248 CD2 PHE B 62 4.780 9.227 -1.658 1.00 0.00 C ATOM 2249 CE1 PHE B 62 6.088 7.619 -3.539 1.00 0.00 C ATOM 2250 CE2 PHE B 62 4.040 8.544 -2.627 1.00 0.00 C ATOM 2251 CZ PHE B 62 4.693 7.740 -3.568 1.00 0.00 C ATOM 0 H PHE B 62 5.758 11.499 -2.091 1.00 0.00 H new ATOM 0 HA PHE B 62 8.113 11.609 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE B 62 7.747 9.151 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE B 62 6.329 10.080 0.270 1.00 0.00 H new ATOM 0 HD1 PHE B 62 7.904 8.199 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE B 62 4.277 9.851 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE B 62 6.592 7.002 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE B 62 2.964 8.637 -2.650 1.00 0.00 H new ATOM 0 HZ PHE B 62 4.121 7.213 -4.317 1.00 0.00 H new ATOM 2261 N ASP B 63 8.364 10.781 -3.443 1.00 0.00 N ATOM 2262 CA ASP B 63 9.386 10.437 -4.473 1.00 0.00 C ATOM 2263 C ASP B 63 10.648 11.267 -4.221 1.00 0.00 C ATOM 2264 O ASP B 63 11.753 10.812 -4.447 1.00 0.00 O ATOM 2265 CB ASP B 63 8.849 10.746 -5.873 1.00 0.00 C ATOM 2266 CG ASP B 63 9.712 10.049 -6.929 1.00 0.00 C ATOM 2267 OD1 ASP B 63 10.421 9.121 -6.576 1.00 0.00 O ATOM 2268 OD2 ASP B 63 9.646 10.456 -8.077 1.00 0.00 O ATOM 0 H ASP B 63 7.449 11.053 -3.803 1.00 0.00 H new ATOM 0 HA ASP B 63 9.617 9.374 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP B 63 7.815 10.411 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP B 63 8.850 11.823 -6.043 1.00 0.00 H new ATOM 2273 N ARG B 64 10.502 12.483 -3.763 1.00 0.00 N ATOM 2274 CA ARG B 64 11.713 13.319 -3.511 1.00 0.00 C ATOM 2275 C ARG B 64 12.607 12.608 -2.490 1.00 0.00 C ATOM 2276 O ARG B 64 13.818 12.703 -2.535 1.00 0.00 O ATOM 2277 CB ARG B 64 11.312 14.691 -2.961 1.00 0.00 C ATOM 2278 CG ARG B 64 10.406 15.413 -3.964 1.00 0.00 C ATOM 2279 CD ARG B 64 10.401 16.926 -3.680 1.00 0.00 C ATOM 2280 NE ARG B 64 10.690 17.173 -2.240 1.00 0.00 N ATOM 2281 CZ ARG B 64 9.742 17.058 -1.352 1.00 0.00 C ATOM 2282 NH1 ARG B 64 8.547 16.688 -1.719 1.00 0.00 N ATOM 2283 NH2 ARG B 64 9.994 17.304 -0.096 1.00 0.00 N ATOM 0 H ARG B 64 9.609 12.929 -3.555 1.00 0.00 H new ATOM 0 HA ARG B 64 12.249 13.459 -4.450 1.00 0.00 H new ATOM 0 HB2 ARG B 64 10.794 14.573 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG B 64 12.203 15.289 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG B 64 10.755 15.227 -4.980 1.00 0.00 H new ATOM 0 HG3 ARG B 64 9.392 15.020 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG B 64 11.147 17.424 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG B 64 9.432 17.351 -3.944 1.00 0.00 H new ATOM 0 HE ARG B 64 11.632 17.433 -1.948 1.00 0.00 H new ATOM 0 HH11 ARG B 64 8.354 16.489 -2.700 1.00 0.00 H new ATOM 0 HH12 ARG B 64 7.805 16.598 -1.025 1.00 0.00 H new ATOM 0 HH21 ARG B 64 10.932 17.586 0.190 1.00 0.00 H new ATOM 0 HH22 ARG B 64 9.254 17.215 0.600 1.00 0.00 H new ATOM 2297 N ILE B 65 12.017 11.900 -1.566 1.00 0.00 N ATOM 2298 CA ILE B 65 12.824 11.180 -0.537 1.00 0.00 C ATOM 2299 C ILE B 65 13.708 10.125 -1.210 1.00 0.00 C ATOM 2300 O ILE B 65 14.870 9.979 -0.889 1.00 0.00 O ATOM 2301 CB ILE B 65 11.885 10.494 0.454 1.00 0.00 C ATOM 2302 CG1 ILE B 65 10.930 11.529 1.051 1.00 0.00 C ATOM 2303 CG2 ILE B 65 12.704 9.855 1.577 1.00 0.00 C ATOM 2304 CD1 ILE B 65 9.852 10.815 1.868 1.00 0.00 C ATOM 0 H ILE B 65 11.007 11.788 -1.478 1.00 0.00 H new ATOM 0 HA ILE B 65 13.456 11.896 -0.012 1.00 0.00 H new ATOM 0 HB ILE B 65 11.313 9.724 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE B 65 11.480 12.225 1.684 1.00 0.00 H new ATOM 0 HG13 ILE B 65 10.470 12.116 0.256 1.00 0.00 H new ATOM 0 HG21 ILE B 65 12.033 9.366 2.283 1.00 0.00 H new ATOM 0 HG22 ILE B 65 13.387 9.118 1.155 1.00 0.00 H new ATOM 0 HG23 ILE B 65 13.276 10.626 2.094 1.00 0.00 H new ATOM 0 HD11 ILE B 65 9.171 11.552 2.294 1.00 0.00 H new ATOM 0 HD12 ILE B 65 9.295 10.137 1.222 1.00 0.00 H new ATOM 0 HD13 ILE B 65 10.321 10.247 2.672 1.00 0.00 H new ATOM 2316 N ILE B 66 13.163 9.379 -2.131 1.00 0.00 N ATOM 2317 CA ILE B 66 13.972 8.330 -2.814 1.00 0.00 C ATOM 2318 C ILE B 66 14.930 8.986 -3.813 1.00 0.00 C ATOM 2319 O ILE B 66 14.531 9.773 -4.649 1.00 0.00 O ATOM 2320 CB ILE B 66 13.032 7.369 -3.545 1.00 0.00 C ATOM 2321 CG1 ILE B 66 12.178 6.627 -2.513 1.00 0.00 C ATOM 2322 CG2 ILE B 66 13.847 6.364 -4.360 1.00 0.00 C ATOM 2323 CD1 ILE B 66 11.062 5.857 -3.223 1.00 0.00 C ATOM 0 H ILE B 66 12.194 9.450 -2.440 1.00 0.00 H new ATOM 0 HA ILE B 66 14.555 7.777 -2.077 1.00 0.00 H new ATOM 0 HB ILE B 66 12.388 7.931 -4.221 1.00 0.00 H new ATOM 0 HG12 ILE B 66 12.800 5.939 -1.940 1.00 0.00 H new ATOM 0 HG13 ILE B 66 11.750 7.336 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE B 66 13.172 5.683 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE B 66 14.456 6.897 -5.091 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.495 5.795 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.457 5.330 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE B 66 10.434 6.555 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.500 5.136 -3.914 1.00 0.00 H new ATOM 2335 N VAL B 67 16.197 8.671 -3.721 1.00 0.00 N ATOM 2336 CA VAL B 67 17.199 9.274 -4.651 1.00 0.00 C ATOM 2337 C VAL B 67 17.248 8.477 -5.961 1.00 0.00 C ATOM 2338 O VAL B 67 17.353 7.266 -5.961 1.00 0.00 O ATOM 2339 CB VAL B 67 18.580 9.269 -3.989 1.00 0.00 C ATOM 2340 CG1 VAL B 67 18.553 10.168 -2.750 1.00 0.00 C ATOM 2341 CG2 VAL B 67 18.958 7.842 -3.576 1.00 0.00 C ATOM 0 H VAL B 67 16.582 8.019 -3.038 1.00 0.00 H new ATOM 0 HA VAL B 67 16.907 10.300 -4.874 1.00 0.00 H new ATOM 0 HB VAL B 67 19.318 9.643 -4.698 1.00 0.00 H new ATOM 0 HG11 VAL B 67 19.535 10.166 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL B 67 18.294 11.185 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL B 67 17.810 9.794 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL B 67 19.941 7.848 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL B 67 18.221 7.460 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL B 67 18.981 7.202 -4.458 1.00 0.00 H new ATOM 2351 N ASN B 68 17.161 9.155 -7.075 1.00 0.00 N ATOM 2352 CA ASN B 68 17.189 8.456 -8.396 1.00 0.00 C ATOM 2353 C ASN B 68 18.635 8.179 -8.835 1.00 0.00 C ATOM 2354 O ASN B 68 19.503 9.019 -8.725 1.00 0.00 O ATOM 2355 CB ASN B 68 16.499 9.339 -9.441 1.00 0.00 C ATOM 2356 CG ASN B 68 16.149 8.502 -10.673 1.00 0.00 C ATOM 2357 OD1 ASN B 68 16.534 7.257 -10.730 1.00 0.00 O flip ATOM 2358 ND2 ASN B 68 15.525 8.988 -11.595 1.00 0.00 N flip ATOM 0 H ASN B 68 17.071 10.170 -7.128 1.00 0.00 H new ATOM 0 HA ASN B 68 16.668 7.503 -8.303 1.00 0.00 H new ATOM 0 HB2 ASN B 68 15.595 9.779 -9.020 1.00 0.00 H new ATOM 0 HB3 ASN B 68 17.153 10.164 -9.724 1.00 0.00 H new ATOM 0 HD21 ASN B 68 15.224 9.962 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN B 68 15.302 8.422 -12.414 1.00 0.00 H new ATOM 2365 N LYS B 69 18.888 7.002 -9.349 1.00 0.00 N ATOM 2366 CA LYS B 69 20.265 6.653 -9.816 1.00 0.00 C ATOM 2367 C LYS B 69 21.265 6.823 -8.669 1.00 0.00 C ATOM 2368 O LYS B 69 21.550 7.923 -8.238 1.00 0.00 O ATOM 2369 CB LYS B 69 20.663 7.567 -10.978 1.00 0.00 C ATOM 2370 CG LYS B 69 21.925 7.016 -11.648 1.00 0.00 C ATOM 2371 CD LYS B 69 22.260 7.849 -12.888 1.00 0.00 C ATOM 2372 CE LYS B 69 23.512 7.279 -13.556 1.00 0.00 C ATOM 2373 NZ LYS B 69 23.215 5.912 -14.074 1.00 0.00 N ATOM 0 H LYS B 69 18.195 6.263 -9.466 1.00 0.00 H new ATOM 0 HA LYS B 69 20.274 5.615 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS B 69 19.851 7.628 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS B 69 20.843 8.579 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS B 69 22.759 7.039 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS B 69 21.773 5.974 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS B 69 21.423 7.836 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS B 69 22.425 8.889 -12.608 1.00 0.00 H new ATOM 0 HE2 LYS B 69 23.831 7.928 -14.372 1.00 0.00 H new ATOM 0 HE3 LYS B 69 24.334 7.239 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 23.923 5.651 -14.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 23.247 5.229 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 22.268 5.902 -14.504 1.00 0.00 H new ATOM 2387 N LEU B 70 21.798 5.738 -8.171 1.00 0.00 N ATOM 2388 CA LEU B 70 22.783 5.819 -7.050 1.00 0.00 C ATOM 2389 C LEU B 70 24.203 5.964 -7.614 1.00 0.00 C ATOM 2390 O LEU B 70 24.572 5.308 -8.567 1.00 0.00 O ATOM 2391 CB LEU B 70 22.690 4.540 -6.205 1.00 0.00 C ATOM 2392 CG LEU B 70 21.490 4.622 -5.245 1.00 0.00 C ATOM 2393 CD1 LEU B 70 21.753 5.654 -4.126 1.00 0.00 C ATOM 2394 CD2 LEU B 70 20.233 5.018 -6.034 1.00 0.00 C ATOM 0 H LEU B 70 21.592 4.793 -8.494 1.00 0.00 H new ATOM 0 HA LEU B 70 22.558 6.686 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU B 70 22.585 3.672 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU B 70 23.610 4.403 -5.637 1.00 0.00 H new ATOM 0 HG LEU B 70 21.343 3.646 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU B 70 20.892 5.695 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU B 70 22.636 5.359 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU B 70 21.917 6.637 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU B 70 19.381 5.077 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU B 70 20.390 5.989 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU B 70 20.035 4.270 -6.802 1.00 0.00 H new ATOM 2406 N GLU B 71 25.002 6.822 -7.025 1.00 0.00 N ATOM 2407 CA GLU B 71 26.403 7.019 -7.512 1.00 0.00 C ATOM 2408 C GLU B 71 27.324 7.259 -6.309 1.00 0.00 C ATOM 2409 O GLU B 71 27.505 6.393 -5.479 1.00 0.00 O ATOM 2410 CB GLU B 71 26.456 8.237 -8.443 1.00 0.00 C ATOM 2411 CG GLU B 71 25.687 7.943 -9.734 1.00 0.00 C ATOM 2412 CD GLU B 71 25.697 9.187 -10.622 1.00 0.00 C ATOM 2413 OE1 GLU B 71 26.257 10.187 -10.203 1.00 0.00 O ATOM 2414 OE2 GLU B 71 25.141 9.121 -11.706 1.00 0.00 O ATOM 0 H GLU B 71 24.742 7.397 -6.224 1.00 0.00 H new ATOM 0 HA GLU B 71 26.729 6.133 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU B 71 26.026 9.106 -7.944 1.00 0.00 H new ATOM 0 HB3 GLU B 71 27.492 8.483 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU B 71 26.143 7.104 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU B 71 24.661 7.655 -9.503 1.00 0.00 H new ATOM 2421 N HIS B 72 27.901 8.432 -6.207 1.00 0.00 N ATOM 2422 CA HIS B 72 28.803 8.744 -5.054 1.00 0.00 C ATOM 2423 C HIS B 72 29.987 7.770 -5.021 1.00 0.00 C ATOM 2424 O HIS B 72 29.840 6.580 -5.209 1.00 0.00 O ATOM 2425 CB HIS B 72 28.009 8.649 -3.747 1.00 0.00 C ATOM 2426 CG HIS B 72 26.729 9.428 -3.891 1.00 0.00 C ATOM 2427 ND1 HIS B 72 25.732 9.054 -4.782 1.00 0.00 N ATOM 2428 CD2 HIS B 72 26.267 10.564 -3.269 1.00 0.00 C ATOM 2429 CE1 HIS B 72 24.732 9.949 -4.674 1.00 0.00 C ATOM 2430 NE2 HIS B 72 25.010 10.887 -3.767 1.00 0.00 N ATOM 0 H HIS B 72 27.785 9.192 -6.878 1.00 0.00 H new ATOM 0 HA HIS B 72 29.192 9.755 -5.170 1.00 0.00 H new ATOM 0 HB2 HIS B 72 27.791 7.607 -3.514 1.00 0.00 H new ATOM 0 HB3 HIS B 72 28.598 9.044 -2.919 1.00 0.00 H new ATOM 0 HD2 HIS B 72 26.799 11.120 -2.511 1.00 0.00 H new ATOM 0 HE1 HIS B 72 23.819 9.912 -5.250 1.00 0.00 H new ATOM 0 HE2 HIS B 72 24.423 11.676 -3.496 1.00 0.00 H new ATOM 2438 N HIS B 73 31.167 8.283 -4.787 1.00 0.00 N ATOM 2439 CA HIS B 73 32.384 7.418 -4.745 1.00 0.00 C ATOM 2440 C HIS B 73 32.213 6.295 -3.711 1.00 0.00 C ATOM 2441 O HIS B 73 31.955 5.159 -4.053 1.00 0.00 O ATOM 2442 CB HIS B 73 33.603 8.290 -4.362 1.00 0.00 C ATOM 2443 CG HIS B 73 34.311 8.787 -5.597 1.00 0.00 C ATOM 2444 ND1 HIS B 73 33.666 9.516 -6.586 1.00 0.00 N ATOM 2445 CD2 HIS B 73 35.616 8.665 -6.011 1.00 0.00 C ATOM 2446 CE1 HIS B 73 34.576 9.801 -7.538 1.00 0.00 C ATOM 2447 NE2 HIS B 73 35.776 9.305 -7.234 1.00 0.00 N ATOM 0 H HIS B 73 31.341 9.274 -4.622 1.00 0.00 H new ATOM 0 HA HIS B 73 32.536 6.966 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS B 73 33.276 9.137 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS B 73 34.293 7.710 -3.749 1.00 0.00 H new ATOM 0 HD2 HIS B 73 36.396 8.151 -5.469 1.00 0.00 H new ATOM 0 HE1 HIS B 73 34.360 10.361 -8.436 1.00 0.00 H new ATOM 0 HE2 HIS B 73 36.632 9.380 -7.784 1.00 0.00 H new ATOM 2455 N HIS B 74 32.386 6.603 -2.454 1.00 0.00 N ATOM 2456 CA HIS B 74 32.272 5.557 -1.398 1.00 0.00 C ATOM 2457 C HIS B 74 31.028 4.684 -1.648 1.00 0.00 C ATOM 2458 O HIS B 74 31.072 3.720 -2.388 1.00 0.00 O ATOM 2459 CB HIS B 74 32.174 6.234 -0.018 1.00 0.00 C ATOM 2460 CG HIS B 74 33.223 7.309 0.111 1.00 0.00 C ATOM 2461 ND1 HIS B 74 32.887 8.654 0.197 1.00 0.00 N ATOM 2462 CD2 HIS B 74 34.593 7.259 0.193 1.00 0.00 C ATOM 2463 CE1 HIS B 74 34.029 9.351 0.326 1.00 0.00 C ATOM 2464 NE2 HIS B 74 35.096 8.549 0.330 1.00 0.00 N ATOM 0 H HIS B 74 32.603 7.539 -2.112 1.00 0.00 H new ATOM 0 HA HIS B 74 33.155 4.919 -1.426 1.00 0.00 H new ATOM 0 HB2 HIS B 74 31.182 6.666 0.113 1.00 0.00 H new ATOM 0 HB3 HIS B 74 32.305 5.492 0.769 1.00 0.00 H new ATOM 0 HD2 HIS B 74 35.188 6.358 0.157 1.00 0.00 H new ATOM 0 HE1 HIS B 74 34.077 10.426 0.415 1.00 0.00 H new ATOM 0 HE2 HIS B 74 36.074 8.824 0.416 1.00 0.00 H new ATOM 2472 N HIS B 75 29.928 5.010 -1.032 1.00 0.00 N ATOM 2473 CA HIS B 75 28.677 4.218 -1.209 1.00 0.00 C ATOM 2474 C HIS B 75 27.668 4.759 -0.195 1.00 0.00 C ATOM 2475 O HIS B 75 26.516 4.370 -0.166 1.00 0.00 O ATOM 2476 CB HIS B 75 28.962 2.714 -0.955 1.00 0.00 C ATOM 2477 CG HIS B 75 28.899 1.941 -2.248 1.00 0.00 C ATOM 2478 ND1 HIS B 75 29.970 1.195 -2.722 1.00 0.00 N ATOM 2479 CD2 HIS B 75 27.898 1.793 -3.177 1.00 0.00 C ATOM 2480 CE1 HIS B 75 29.592 0.639 -3.888 1.00 0.00 C ATOM 2481 NE2 HIS B 75 28.341 0.973 -4.208 1.00 0.00 N ATOM 0 H HIS B 75 29.840 5.807 -0.401 1.00 0.00 H new ATOM 0 HA HIS B 75 28.288 4.309 -2.223 1.00 0.00 H new ATOM 0 HB2 HIS B 75 29.946 2.595 -0.501 1.00 0.00 H new ATOM 0 HB3 HIS B 75 28.234 2.314 -0.249 1.00 0.00 H new ATOM 0 HD2 HIS B 75 26.919 2.244 -3.116 1.00 0.00 H new ATOM 0 HE1 HIS B 75 30.223 0.002 -4.490 1.00 0.00 H new ATOM 0 HE2 HIS B 75 27.819 0.687 -5.036 1.00 0.00 H new ATOM 2489 N HIS B 76 28.115 5.660 0.634 1.00 0.00 N ATOM 2490 CA HIS B 76 27.227 6.263 1.663 1.00 0.00 C ATOM 2491 C HIS B 76 26.488 5.150 2.417 1.00 0.00 C ATOM 2492 O HIS B 76 25.526 5.395 3.117 1.00 0.00 O ATOM 2493 CB HIS B 76 26.224 7.215 0.979 1.00 0.00 C ATOM 2494 CG HIS B 76 25.890 8.381 1.882 1.00 0.00 C ATOM 2495 ND1 HIS B 76 26.452 8.538 3.143 1.00 0.00 N ATOM 2496 CD2 HIS B 76 25.059 9.461 1.708 1.00 0.00 C ATOM 2497 CE1 HIS B 76 25.959 9.674 3.671 1.00 0.00 C ATOM 2498 NE2 HIS B 76 25.108 10.272 2.836 1.00 0.00 N ATOM 0 H HIS B 76 29.074 6.009 0.641 1.00 0.00 H new ATOM 0 HA HIS B 76 27.820 6.833 2.378 1.00 0.00 H new ATOM 0 HB2 HIS B 76 26.645 7.583 0.043 1.00 0.00 H new ATOM 0 HB3 HIS B 76 25.313 6.671 0.727 1.00 0.00 H new ATOM 0 HD2 HIS B 76 24.460 9.651 0.830 1.00 0.00 H new ATOM 0 HE1 HIS B 76 26.220 10.053 4.648 1.00 0.00 H new ATOM 0 HE2 HIS B 76 24.600 11.142 2.992 1.00 0.00 H new ATOM 2506 N HIS B 77 26.933 3.931 2.283 1.00 0.00 N ATOM 2507 CA HIS B 77 26.257 2.813 3.002 1.00 0.00 C ATOM 2508 C HIS B 77 27.202 1.603 3.064 1.00 0.00 C ATOM 2509 O HIS B 77 27.936 1.397 2.112 1.00 0.00 O ATOM 2510 CB HIS B 77 24.947 2.444 2.261 1.00 0.00 C ATOM 2511 CG HIS B 77 23.828 2.213 3.250 1.00 0.00 C ATOM 2512 ND1 HIS B 77 22.680 2.994 3.263 1.00 0.00 N ATOM 2513 CD2 HIS B 77 23.675 1.305 4.271 1.00 0.00 C ATOM 2514 CE1 HIS B 77 21.896 2.547 4.263 1.00 0.00 C ATOM 2515 NE2 HIS B 77 22.457 1.522 4.905 1.00 0.00 N ATOM 2516 OXT HIS B 77 27.169 0.906 4.064 1.00 0.00 O ATOM 0 H HIS B 77 27.732 3.661 1.709 1.00 0.00 H new ATOM 0 HA HIS B 77 26.011 3.118 4.019 1.00 0.00 H new ATOM 0 HB2 HIS B 77 24.673 3.244 1.573 1.00 0.00 H new ATOM 0 HB3 HIS B 77 25.101 1.547 1.661 1.00 0.00 H new ATOM 0 HD2 HIS B 77 24.390 0.541 4.539 1.00 0.00 H new ATOM 0 HE1 HIS B 77 20.933 2.967 4.514 1.00 0.00 H new ATOM 0 HE2 HIS B 77 22.073 1.005 5.696 1.00 0.00 H new TER 2524 HIS B 77