USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 65 GLN : amide:sc= -0.022 X(o=-0.43,f=-0.43) USER MOD Set 1.2: A 103 TYR OH : rot 120:sc= -0.405 USER MOD Set 2.1: A 2 GLN : amide:sc= 0.526 K(o=-5.1,f=-10!) USER MOD Set 2.2: A 5 HIS : no HD1:sc= -3.4 K(o=-5.1,f=-11!) USER MOD Set 2.3: A 106 MET CE :methyl -118:sc= -2.25! (180deg=-0.693) USER MOD Single : A 1 GLU N :NH3+ 159:sc= -0.0409 (180deg=-0.307) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.057) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= -0.0157 (180deg=-0.445) USER MOD Single : A 18 HIS : no HE2:sc= -0.353 K(o=-0.35,f=-2.4) USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -2.26! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.055) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.00052) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl -115:sc= -0.0805 (180deg=-2.47!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 118:sc= 0.311 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00206) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 25:sc= -3.06! USER MOD Single : A 74 MET CE :methyl 180:sc= -0.592 (180deg=-0.592) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.3!) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -0.631 F(o=-2.8!,f=-0.63) USER MOD Single : A 86 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.52) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0.393 X(o=0.39,f=-0.085) USER MOD Single : A 105 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0368) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.993 12.760 -0.880 1.00 0.00 N ATOM 2 CA GLU A 1 -16.126 11.797 -1.616 1.00 0.00 C ATOM 3 C GLU A 1 -14.841 11.497 -0.841 1.00 0.00 C ATOM 4 O GLU A 1 -14.028 12.389 -0.594 1.00 0.00 O ATOM 5 CB GLU A 1 -15.800 12.376 -3.004 1.00 0.00 C ATOM 6 CG GLU A 1 -14.928 13.626 -2.967 1.00 0.00 C ATOM 7 CD GLU A 1 -15.305 14.649 -4.024 1.00 0.00 C ATOM 8 OE1 GLU A 1 -16.490 15.043 -4.076 1.00 0.00 O ATOM 9 OE2 GLU A 1 -14.412 15.060 -4.795 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.652 13.213 -1.545 1.00 0.00 H new ATOM 0 H2 GLU A 1 -17.533 12.253 -0.150 1.00 0.00 H new ATOM 0 H3 GLU A 1 -16.401 13.487 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.662 10.854 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.296 11.612 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -16.733 12.612 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.005 14.086 -1.982 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.886 13.338 -3.104 1.00 0.00 H new ATOM 18 N GLN A 2 -14.667 10.232 -0.457 1.00 0.00 N ATOM 19 CA GLN A 2 -13.486 9.805 0.289 1.00 0.00 C ATOM 20 C GLN A 2 -12.436 9.183 -0.637 1.00 0.00 C ATOM 21 O GLN A 2 -11.239 9.251 -0.357 1.00 0.00 O ATOM 22 CB GLN A 2 -13.887 8.812 1.380 1.00 0.00 C ATOM 23 CG GLN A 2 -14.362 9.474 2.668 1.00 0.00 C ATOM 24 CD GLN A 2 -13.483 9.145 3.862 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.822 8.106 3.892 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.470 10.029 4.854 1.00 0.00 N ATOM 0 H GLN A 2 -15.332 9.484 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.041 10.686 0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.680 8.168 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.036 8.170 1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.385 10.555 2.528 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.384 9.158 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.033 10.877 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.897 9.859 5.681 1.00 0.00 H new ATOM 35 N LEU A 3 -12.881 8.591 -1.751 1.00 0.00 N ATOM 36 CA LEU A 3 -11.961 7.980 -2.715 1.00 0.00 C ATOM 37 C LEU A 3 -10.931 9.008 -3.200 1.00 0.00 C ATOM 38 O LEU A 3 -9.783 8.662 -3.484 1.00 0.00 O ATOM 39 CB LEU A 3 -12.736 7.410 -3.912 1.00 0.00 C ATOM 40 CG LEU A 3 -12.240 6.058 -4.446 1.00 0.00 C ATOM 41 CD1 LEU A 3 -10.791 6.150 -4.903 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.400 4.968 -3.394 1.00 0.00 C ATOM 0 H LEU A 3 -13.866 8.522 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.436 7.165 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.783 7.305 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.699 8.136 -4.724 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.852 5.795 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.465 5.179 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.706 6.891 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.163 6.445 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.042 4.020 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.821 5.229 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.452 4.874 -3.125 1.00 0.00 H new ATOM 54 N LYS A 4 -11.352 10.276 -3.283 1.00 0.00 N ATOM 55 CA LYS A 4 -10.471 11.360 -3.724 1.00 0.00 C ATOM 56 C LYS A 4 -9.292 11.537 -2.767 1.00 0.00 C ATOM 57 O LYS A 4 -8.147 11.658 -3.205 1.00 0.00 O ATOM 58 CB LYS A 4 -11.251 12.677 -3.834 1.00 0.00 C ATOM 59 CG LYS A 4 -10.828 13.545 -5.013 1.00 0.00 C ATOM 60 CD LYS A 4 -9.762 14.558 -4.616 1.00 0.00 C ATOM 61 CE LYS A 4 -9.863 15.835 -5.444 1.00 0.00 C ATOM 62 NZ LYS A 4 -9.049 15.769 -6.694 1.00 0.00 N ATOM 0 H LYS A 4 -12.299 10.575 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.082 11.091 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.314 12.453 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.121 13.244 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.446 12.911 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.698 14.069 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.866 14.801 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.774 14.117 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.906 16.016 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.532 16.682 -4.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.150 16.659 -7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.049 15.623 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.380 14.978 -7.283 1.00 0.00 H new ATOM 76 N HIS A 5 -9.576 11.556 -1.461 1.00 0.00 N ATOM 77 CA HIS A 5 -8.528 11.723 -0.452 1.00 0.00 C ATOM 78 C HIS A 5 -7.568 10.532 -0.456 1.00 0.00 C ATOM 79 O HIS A 5 -6.364 10.698 -0.251 1.00 0.00 O ATOM 80 CB HIS A 5 -9.137 11.939 0.949 1.00 0.00 C ATOM 81 CG HIS A 5 -9.462 10.684 1.713 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.510 9.766 2.113 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.647 10.211 2.168 1.00 0.00 C ATOM 84 CE1 HIS A 5 -9.097 8.786 2.776 1.00 0.00 C ATOM 85 NE2 HIS A 5 -10.392 9.031 2.824 1.00 0.00 N ATOM 0 H HIS A 5 -10.517 11.458 -1.080 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.956 12.615 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.442 12.534 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -10.049 12.526 0.843 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.613 10.676 2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -8.600 7.929 3.206 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.091 8.440 3.275 1.00 0.00 H new ATOM 94 N CYS A 6 -8.107 9.333 -0.692 1.00 0.00 N ATOM 95 CA CYS A 6 -7.292 8.119 -0.725 1.00 0.00 C ATOM 96 C CYS A 6 -6.298 8.167 -1.882 1.00 0.00 C ATOM 97 O CYS A 6 -5.131 7.804 -1.722 1.00 0.00 O ATOM 98 CB CYS A 6 -8.176 6.873 -0.845 1.00 0.00 C ATOM 99 SG CYS A 6 -7.542 5.432 0.047 1.00 0.00 S ATOM 0 H CYS A 6 -9.101 9.179 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.737 8.063 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.172 7.110 -0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.284 6.617 -1.899 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.356 4.431 -0.111 1.00 0.00 H new ATOM 105 N ASN A 7 -6.765 8.624 -3.046 1.00 0.00 N ATOM 106 CA ASN A 7 -5.913 8.725 -4.230 1.00 0.00 C ATOM 107 C ASN A 7 -4.717 9.640 -3.973 1.00 0.00 C ATOM 108 O ASN A 7 -3.623 9.398 -4.484 1.00 0.00 O ATOM 109 CB ASN A 7 -6.715 9.239 -5.429 1.00 0.00 C ATOM 110 CG ASN A 7 -7.216 8.111 -6.310 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.425 7.355 -6.878 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.533 7.987 -6.432 1.00 0.00 N ATOM 0 H ASN A 7 -7.727 8.929 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.540 7.726 -4.455 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.563 9.823 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.092 9.910 -6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.924 7.245 -7.013 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.153 8.634 -5.945 1.00 0.00 H new ATOM 119 N VAL A 8 -4.929 10.688 -3.175 1.00 0.00 N ATOM 120 CA VAL A 8 -3.861 11.631 -2.851 1.00 0.00 C ATOM 121 C VAL A 8 -2.699 10.920 -2.156 1.00 0.00 C ATOM 122 O VAL A 8 -1.533 11.182 -2.458 1.00 0.00 O ATOM 123 CB VAL A 8 -4.365 12.782 -1.952 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.270 13.821 -1.747 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.614 13.427 -2.543 1.00 0.00 C ATOM 0 H VAL A 8 -5.828 10.903 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.517 12.054 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.628 12.363 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.644 14.623 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.409 13.353 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.973 14.231 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.949 14.234 -1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.384 13.829 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.403 12.680 -2.630 1.00 0.00 H new ATOM 135 N ILE A 9 -3.024 10.015 -1.232 1.00 0.00 N ATOM 136 CA ILE A 9 -2.007 9.262 -0.504 1.00 0.00 C ATOM 137 C ILE A 9 -1.181 8.400 -1.462 1.00 0.00 C ATOM 138 O ILE A 9 0.045 8.349 -1.362 1.00 0.00 O ATOM 139 CB ILE A 9 -2.633 8.362 0.588 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.569 9.176 1.492 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.543 7.694 1.416 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.344 8.331 2.481 1.00 0.00 C ATOM 0 H ILE A 9 -3.983 9.787 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.357 9.990 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.221 7.587 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.981 9.913 2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.273 9.728 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.000 7.065 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.917 7.081 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.930 8.458 1.895 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.984 8.974 3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.959 7.611 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.648 7.799 3.129 1.00 0.00 H new ATOM 154 N LEU A 10 -1.862 7.732 -2.397 1.00 0.00 N ATOM 155 CA LEU A 10 -1.190 6.879 -3.379 1.00 0.00 C ATOM 156 C LEU A 10 -0.282 7.701 -4.294 1.00 0.00 C ATOM 157 O LEU A 10 0.856 7.311 -4.563 1.00 0.00 O ATOM 158 CB LEU A 10 -2.215 6.110 -4.220 1.00 0.00 C ATOM 159 CG LEU A 10 -1.778 4.706 -4.652 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.050 3.699 -3.544 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.487 4.295 -5.936 1.00 0.00 C ATOM 0 H LEU A 10 -2.877 7.766 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.575 6.166 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.140 6.027 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.442 6.694 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.705 4.724 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.734 2.707 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.495 3.983 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.117 3.684 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.163 3.295 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.565 4.294 -5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.241 5.001 -6.729 1.00 0.00 H new ATOM 173 N LYS A 11 -0.791 8.842 -4.768 1.00 0.00 N ATOM 174 CA LYS A 11 -0.029 9.720 -5.651 1.00 0.00 C ATOM 175 C LYS A 11 1.242 10.214 -4.959 1.00 0.00 C ATOM 176 O LYS A 11 2.306 10.267 -5.570 1.00 0.00 O ATOM 177 CB LYS A 11 -0.902 10.903 -6.100 1.00 0.00 C ATOM 178 CG LYS A 11 -0.249 12.269 -5.936 1.00 0.00 C ATOM 179 CD LYS A 11 -1.038 13.356 -6.646 1.00 0.00 C ATOM 180 CE LYS A 11 -1.828 14.207 -5.664 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.140 15.556 -6.217 1.00 0.00 N ATOM 0 H LYS A 11 -1.730 9.177 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 11 0.269 9.154 -6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.167 10.765 -7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.832 10.888 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.170 12.510 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.766 12.238 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.356 13.991 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.720 12.901 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.757 13.697 -5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.259 14.317 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.679 16.103 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.254 16.054 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.705 15.454 -7.084 1.00 0.00 H new ATOM 195 N GLU A 12 1.118 10.573 -3.681 1.00 0.00 N ATOM 196 CA GLU A 12 2.254 11.061 -2.899 1.00 0.00 C ATOM 197 C GLU A 12 3.376 10.018 -2.840 1.00 0.00 C ATOM 198 O GLU A 12 4.557 10.360 -2.936 1.00 0.00 O ATOM 199 CB GLU A 12 1.798 11.423 -1.481 1.00 0.00 C ATOM 200 CG GLU A 12 2.913 11.954 -0.594 1.00 0.00 C ATOM 201 CD GLU A 12 3.310 10.976 0.497 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.749 9.856 0.162 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.180 11.332 1.686 1.00 0.00 O ATOM 0 H GLU A 12 0.239 10.535 -3.164 1.00 0.00 H new ATOM 0 HA GLU A 12 2.646 11.952 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.008 12.172 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.363 10.540 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.784 12.180 -1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.594 12.891 -0.138 1.00 0.00 H new ATOM 210 N LEU A 13 2.998 8.748 -2.675 1.00 0.00 N ATOM 211 CA LEU A 13 3.971 7.655 -2.596 1.00 0.00 C ATOM 212 C LEU A 13 4.642 7.405 -3.949 1.00 0.00 C ATOM 213 O LEU A 13 5.852 7.187 -4.017 1.00 0.00 O ATOM 214 CB LEU A 13 3.293 6.367 -2.112 1.00 0.00 C ATOM 215 CG LEU A 13 2.572 6.470 -0.764 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.488 5.407 -0.659 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.565 6.342 0.385 1.00 0.00 C ATOM 0 H LEU A 13 2.026 8.451 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 13 4.738 7.951 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.573 6.050 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.048 5.584 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 13 2.099 7.450 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.985 5.494 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.763 5.547 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.938 4.418 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.035 6.418 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.067 5.376 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.304 7.140 0.318 1.00 0.00 H new ATOM 229 N LEU A 14 3.848 7.430 -5.021 1.00 0.00 N ATOM 230 CA LEU A 14 4.364 7.200 -6.371 1.00 0.00 C ATOM 231 C LEU A 14 5.055 8.446 -6.942 1.00 0.00 C ATOM 232 O LEU A 14 5.886 8.337 -7.844 1.00 0.00 O ATOM 233 CB LEU A 14 3.231 6.769 -7.309 1.00 0.00 C ATOM 234 CG LEU A 14 3.305 5.321 -7.801 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.213 4.481 -7.156 1.00 0.00 C ATOM 236 CD2 LEU A 14 3.198 5.269 -9.320 1.00 0.00 C ATOM 0 H LEU A 14 2.844 7.607 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 14 5.106 6.405 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.281 6.913 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.227 7.430 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 14 4.270 4.906 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.282 3.455 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.337 4.493 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.237 4.892 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.252 4.233 -9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.248 5.701 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.017 5.836 -9.762 1.00 0.00 H new ATOM 248 N SER A 15 4.697 9.625 -6.424 1.00 0.00 N ATOM 249 CA SER A 15 5.272 10.888 -6.890 1.00 0.00 C ATOM 250 C SER A 15 6.795 10.891 -6.737 1.00 0.00 C ATOM 251 O SER A 15 7.517 10.583 -7.686 1.00 0.00 O ATOM 252 CB SER A 15 4.646 12.063 -6.129 1.00 0.00 C ATOM 253 OG SER A 15 5.340 13.274 -6.377 1.00 0.00 O ATOM 0 H SER A 15 4.009 9.730 -5.679 1.00 0.00 H new ATOM 0 HA SER A 15 5.047 10.998 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.603 12.174 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.654 11.851 -5.060 1.00 0.00 H new ATOM 0 HG SER A 15 4.915 14.003 -5.879 1.00 0.00 H new ATOM 259 N LYS A 16 7.281 11.240 -5.542 1.00 0.00 N ATOM 260 CA LYS A 16 8.720 11.274 -5.276 1.00 0.00 C ATOM 261 C LYS A 16 9.012 11.633 -3.815 1.00 0.00 C ATOM 262 O LYS A 16 9.970 12.353 -3.522 1.00 0.00 O ATOM 263 CB LYS A 16 9.431 12.262 -6.214 1.00 0.00 C ATOM 264 CG LYS A 16 8.684 13.574 -6.422 1.00 0.00 C ATOM 265 CD LYS A 16 8.186 13.712 -7.853 1.00 0.00 C ATOM 266 CE LYS A 16 7.521 15.059 -8.093 1.00 0.00 C ATOM 267 NZ LYS A 16 7.719 15.541 -9.490 1.00 0.00 N ATOM 0 H LYS A 16 6.700 11.502 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 16 9.107 10.273 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.420 12.480 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.579 11.784 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.839 13.626 -5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.341 14.410 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.022 13.592 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.477 12.913 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.454 14.978 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.926 15.792 -7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.250 16.461 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.736 15.644 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.309 14.855 -10.155 1.00 0.00 H new ATOM 281 N LYS A 17 8.192 11.115 -2.900 1.00 0.00 N ATOM 282 CA LYS A 17 8.372 11.368 -1.472 1.00 0.00 C ATOM 283 C LYS A 17 8.819 10.095 -0.761 1.00 0.00 C ATOM 284 O LYS A 17 9.779 10.110 0.009 1.00 0.00 O ATOM 285 CB LYS A 17 7.078 11.896 -0.848 1.00 0.00 C ATOM 286 CG LYS A 17 6.982 13.412 -0.855 1.00 0.00 C ATOM 287 CD LYS A 17 5.934 13.911 0.126 1.00 0.00 C ATOM 288 CE LYS A 17 5.345 15.242 -0.314 1.00 0.00 C ATOM 289 NZ LYS A 17 3.984 15.085 -0.901 1.00 0.00 N ATOM 0 H LYS A 17 7.396 10.517 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 17 9.145 12.127 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.227 11.483 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.006 11.539 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.952 13.840 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.735 13.757 -1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.138 13.172 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.382 14.019 1.114 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.295 15.916 0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.005 15.705 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.724 15.953 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.981 14.281 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.296 14.912 -0.141 1.00 0.00 H new ATOM 303 N HIS A 18 8.122 8.991 -1.038 1.00 0.00 N ATOM 304 CA HIS A 18 8.449 7.698 -0.443 1.00 0.00 C ATOM 305 C HIS A 18 8.668 6.646 -1.529 1.00 0.00 C ATOM 306 O HIS A 18 8.320 5.474 -1.359 1.00 0.00 O ATOM 307 CB HIS A 18 7.338 7.251 0.509 1.00 0.00 C ATOM 308 CG HIS A 18 7.045 8.247 1.586 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.342 9.410 1.362 1.00 0.00 N ATOM 310 CD2 HIS A 18 7.365 8.249 2.900 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.242 10.087 2.491 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.854 9.403 3.441 1.00 0.00 N ATOM 0 H HIS A 18 7.325 8.969 -1.674 1.00 0.00 H new ATOM 0 HA HIS A 18 9.373 7.807 0.125 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.429 7.069 -0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.621 6.303 0.967 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.958 9.703 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.919 7.485 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.745 11.038 2.616 1.00 0.00 H new ATOM 321 N ALA A 19 9.252 7.076 -2.649 1.00 0.00 N ATOM 322 CA ALA A 19 9.527 6.182 -3.770 1.00 0.00 C ATOM 323 C ALA A 19 10.435 5.025 -3.353 1.00 0.00 C ATOM 324 O ALA A 19 10.339 3.934 -3.910 1.00 0.00 O ATOM 325 CB ALA A 19 10.155 6.952 -4.921 1.00 0.00 C ATOM 0 H ALA A 19 9.544 8.041 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 19 8.577 5.762 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.354 6.271 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.472 7.735 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.090 7.403 -4.590 1.00 0.00 H new ATOM 331 N ALA A 20 11.307 5.271 -2.366 1.00 0.00 N ATOM 332 CA ALA A 20 12.229 4.244 -1.870 1.00 0.00 C ATOM 333 C ALA A 20 11.499 2.939 -1.551 1.00 0.00 C ATOM 334 O ALA A 20 12.054 1.855 -1.725 1.00 0.00 O ATOM 335 CB ALA A 20 12.973 4.741 -0.638 1.00 0.00 C ATOM 0 H ALA A 20 11.392 6.172 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 20 12.949 4.042 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.652 3.965 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.544 5.634 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.256 4.981 0.148 1.00 0.00 H new ATOM 341 N TYR A 21 10.257 3.055 -1.082 1.00 0.00 N ATOM 342 CA TYR A 21 9.444 1.889 -0.743 1.00 0.00 C ATOM 343 C TYR A 21 8.444 1.559 -1.860 1.00 0.00 C ATOM 344 O TYR A 21 7.859 0.474 -1.877 1.00 0.00 O ATOM 345 CB TYR A 21 8.693 2.131 0.570 1.00 0.00 C ATOM 346 CG TYR A 21 9.571 2.648 1.690 1.00 0.00 C ATOM 347 CD1 TYR A 21 9.952 3.984 1.745 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.023 1.795 2.685 1.00 0.00 C ATOM 349 CE1 TYR A 21 10.760 4.452 2.763 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.829 2.255 3.706 1.00 0.00 C ATOM 351 CZ TYR A 21 11.195 3.583 3.741 1.00 0.00 C ATOM 352 OH TYR A 21 12.002 4.044 4.757 1.00 0.00 O ATOM 0 H TYR A 21 9.791 3.949 -0.928 1.00 0.00 H new ATOM 0 HA TYR A 21 10.116 1.039 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.889 2.845 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.226 1.199 0.888 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.611 4.666 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 21 9.740 0.753 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.049 5.492 2.793 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.171 1.577 4.474 1.00 0.00 H new ATOM 0 HH TYR A 21 11.798 4.986 4.935 1.00 0.00 H new ATOM 362 N ALA A 22 8.246 2.499 -2.790 1.00 0.00 N ATOM 363 CA ALA A 22 7.315 2.307 -3.899 1.00 0.00 C ATOM 364 C ALA A 22 7.899 1.414 -4.996 1.00 0.00 C ATOM 365 O ALA A 22 7.199 0.555 -5.529 1.00 0.00 O ATOM 366 CB ALA A 22 6.904 3.652 -4.486 1.00 0.00 C ATOM 0 H ALA A 22 8.721 3.402 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 22 6.436 1.802 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.210 3.492 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.420 4.252 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.788 4.175 -4.851 1.00 0.00 H new ATOM 372 N TRP A 23 9.175 1.624 -5.345 1.00 0.00 N ATOM 373 CA TRP A 23 9.815 0.829 -6.398 1.00 0.00 C ATOM 374 C TRP A 23 10.034 -0.640 -5.994 1.00 0.00 C ATOM 375 O TRP A 23 9.890 -1.526 -6.837 1.00 0.00 O ATOM 376 CB TRP A 23 11.140 1.463 -6.853 1.00 0.00 C ATOM 377 CG TRP A 23 12.227 1.420 -5.826 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.563 2.409 -4.953 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.126 0.335 -5.570 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.599 2.002 -4.154 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.968 0.733 -4.515 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.294 -0.938 -6.123 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.966 -0.094 -4.007 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.286 -1.758 -5.618 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.110 -1.333 -4.568 1.00 0.00 C ATOM 0 H TRP A 23 9.777 2.329 -4.919 1.00 0.00 H new ATOM 0 HA TRP A 23 9.119 0.829 -7.237 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.485 0.951 -7.752 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.957 2.502 -7.128 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.083 3.375 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.026 2.554 -3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.660 -1.275 -6.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.604 0.231 -3.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.428 -2.742 -6.040 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.875 -1.997 -4.194 1.00 0.00 H new ATOM 396 N PRO A 24 10.385 -0.942 -4.717 1.00 0.00 N ATOM 397 CA PRO A 24 10.609 -2.327 -4.282 1.00 0.00 C ATOM 398 C PRO A 24 9.326 -3.155 -4.293 1.00 0.00 C ATOM 399 O PRO A 24 9.340 -4.327 -4.672 1.00 0.00 O ATOM 400 CB PRO A 24 11.149 -2.184 -2.857 1.00 0.00 C ATOM 401 CG PRO A 24 10.654 -0.863 -2.391 1.00 0.00 C ATOM 402 CD PRO A 24 10.591 0.014 -3.611 1.00 0.00 C ATOM 0 HA PRO A 24 11.290 -2.853 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.790 -2.989 -2.216 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.238 -2.226 -2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.672 -0.956 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.322 -0.439 -1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.775 0.733 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.510 0.586 -3.741 1.00 0.00 H new ATOM 410 N PHE A 25 8.216 -2.538 -3.884 1.00 0.00 N ATOM 411 CA PHE A 25 6.923 -3.221 -3.858 1.00 0.00 C ATOM 412 C PHE A 25 6.128 -2.974 -5.150 1.00 0.00 C ATOM 413 O PHE A 25 5.010 -3.473 -5.299 1.00 0.00 O ATOM 414 CB PHE A 25 6.108 -2.776 -2.638 1.00 0.00 C ATOM 415 CG PHE A 25 6.808 -3.002 -1.320 1.00 0.00 C ATOM 416 CD1 PHE A 25 7.334 -4.245 -0.999 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.939 -1.969 -0.404 1.00 0.00 C ATOM 418 CE1 PHE A 25 7.977 -4.452 0.209 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.580 -2.170 0.804 1.00 0.00 C ATOM 420 CZ PHE A 25 8.099 -3.413 1.111 1.00 0.00 C ATOM 0 H PHE A 25 8.187 -1.569 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 25 7.115 -4.291 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.874 -1.716 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.159 -3.313 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.241 -5.061 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.535 -0.995 -0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.383 -5.424 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.675 -1.356 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.599 -3.572 2.055 1.00 0.00 H new ATOM 430 N TYR A 26 6.709 -2.206 -6.082 1.00 0.00 N ATOM 431 CA TYR A 26 6.055 -1.901 -7.355 1.00 0.00 C ATOM 432 C TYR A 26 5.843 -3.169 -8.184 1.00 0.00 C ATOM 433 O TYR A 26 4.713 -3.500 -8.549 1.00 0.00 O ATOM 434 CB TYR A 26 6.894 -0.898 -8.155 1.00 0.00 C ATOM 435 CG TYR A 26 6.075 0.112 -8.929 1.00 0.00 C ATOM 436 CD1 TYR A 26 5.503 -0.217 -10.152 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.883 1.400 -8.442 1.00 0.00 C ATOM 438 CE1 TYR A 26 4.762 0.706 -10.866 1.00 0.00 C ATOM 439 CE2 TYR A 26 5.145 2.328 -9.150 1.00 0.00 C ATOM 440 CZ TYR A 26 4.586 1.976 -10.361 1.00 0.00 C ATOM 441 OH TYR A 26 3.850 2.897 -11.071 1.00 0.00 O ATOM 0 H TYR A 26 7.632 -1.786 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 26 5.081 -1.465 -7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.555 -0.366 -7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.529 -1.445 -8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.640 -1.211 -10.552 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.318 1.679 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.323 0.433 -11.814 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.006 3.325 -8.757 1.00 0.00 H new ATOM 0 HH TYR A 26 3.166 2.433 -11.597 1.00 0.00 H new ATOM 451 N LYS A 27 6.938 -3.871 -8.479 1.00 0.00 N ATOM 452 CA LYS A 27 6.877 -5.100 -9.266 1.00 0.00 C ATOM 453 C LYS A 27 6.752 -6.322 -8.358 1.00 0.00 C ATOM 454 O LYS A 27 7.526 -6.480 -7.410 1.00 0.00 O ATOM 455 CB LYS A 27 8.124 -5.233 -10.148 1.00 0.00 C ATOM 456 CG LYS A 27 8.082 -6.427 -11.090 1.00 0.00 C ATOM 457 CD LYS A 27 7.527 -6.044 -12.453 1.00 0.00 C ATOM 458 CE LYS A 27 6.847 -7.224 -13.132 1.00 0.00 C ATOM 459 NZ LYS A 27 5.689 -6.796 -13.967 1.00 0.00 N ATOM 0 H LYS A 27 7.878 -3.608 -8.184 1.00 0.00 H new ATOM 0 HA LYS A 27 5.994 -5.048 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.242 -4.322 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.003 -5.316 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.086 -6.835 -11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.467 -7.214 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.813 -5.228 -12.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.335 -5.676 -13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.570 -7.749 -13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.507 -7.931 -12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.254 -7.630 -14.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.987 -6.318 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.017 -6.141 -14.706 1.00 0.00 H new ATOM 473 N PRO A 28 5.777 -7.209 -8.639 1.00 0.00 N ATOM 474 CA PRO A 28 5.562 -8.423 -7.843 1.00 0.00 C ATOM 475 C PRO A 28 6.617 -9.493 -8.118 1.00 0.00 C ATOM 476 O PRO A 28 7.596 -9.247 -8.825 1.00 0.00 O ATOM 477 CB PRO A 28 4.185 -8.902 -8.301 1.00 0.00 C ATOM 478 CG PRO A 28 4.061 -8.407 -9.700 1.00 0.00 C ATOM 479 CD PRO A 28 4.811 -7.102 -9.753 1.00 0.00 C ATOM 0 HA PRO A 28 5.629 -8.228 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.108 -9.988 -8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.395 -8.500 -7.667 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.479 -9.125 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.015 -8.266 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.316 -6.969 -10.710 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.143 -6.250 -9.624 1.00 0.00 H new ATOM 487 N VAL A 29 6.404 -10.683 -7.562 1.00 0.00 N ATOM 488 CA VAL A 29 7.322 -11.794 -7.752 1.00 0.00 C ATOM 489 C VAL A 29 6.595 -12.972 -8.385 1.00 0.00 C ATOM 490 O VAL A 29 5.815 -13.660 -7.724 1.00 0.00 O ATOM 491 CB VAL A 29 7.962 -12.248 -6.423 1.00 0.00 C ATOM 492 CG1 VAL A 29 9.061 -13.269 -6.684 1.00 0.00 C ATOM 493 CG2 VAL A 29 8.506 -11.054 -5.649 1.00 0.00 C ATOM 0 H VAL A 29 5.599 -10.899 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 29 8.117 -11.446 -8.411 1.00 0.00 H new ATOM 0 HB VAL A 29 7.191 -12.721 -5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.502 -13.579 -5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.638 -14.138 -7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.831 -12.822 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.952 -11.398 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.262 -10.546 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.693 -10.362 -5.429 1.00 0.00 H new ATOM 503 N ASP A 30 6.851 -13.190 -9.671 1.00 0.00 N ATOM 504 CA ASP A 30 6.220 -14.280 -10.409 1.00 0.00 C ATOM 505 C ASP A 30 6.728 -15.632 -9.916 1.00 0.00 C ATOM 506 O ASP A 30 7.630 -16.222 -10.510 1.00 0.00 O ATOM 507 CB ASP A 30 6.484 -14.132 -11.910 1.00 0.00 C ATOM 508 CG ASP A 30 5.834 -12.894 -12.494 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.641 -12.964 -12.857 1.00 0.00 O ATOM 510 OD2 ASP A 30 6.517 -11.851 -12.586 1.00 0.00 O ATOM 0 H ASP A 30 7.493 -12.624 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 30 5.145 -14.231 -10.235 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.559 -14.090 -12.084 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.111 -15.014 -12.430 1.00 0.00 H new ATOM 515 N ALA A 31 6.141 -16.115 -8.824 1.00 0.00 N ATOM 516 CA ALA A 31 6.526 -17.400 -8.241 1.00 0.00 C ATOM 517 C ALA A 31 6.438 -18.534 -9.266 1.00 0.00 C ATOM 518 O ALA A 31 7.208 -19.492 -9.205 1.00 0.00 O ATOM 519 CB ALA A 31 5.653 -17.714 -7.035 1.00 0.00 C ATOM 0 H ALA A 31 5.394 -15.635 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 31 7.565 -17.320 -7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.950 -18.673 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.774 -16.932 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.609 -17.762 -7.344 1.00 0.00 H new ATOM 525 N SER A 32 5.498 -18.423 -10.208 1.00 0.00 N ATOM 526 CA SER A 32 5.323 -19.444 -11.240 1.00 0.00 C ATOM 527 C SER A 32 6.314 -19.248 -12.389 1.00 0.00 C ATOM 528 O SER A 32 6.912 -20.210 -12.870 1.00 0.00 O ATOM 529 CB SER A 32 3.891 -19.424 -11.782 1.00 0.00 C ATOM 530 OG SER A 32 3.537 -20.683 -12.330 1.00 0.00 O ATOM 0 H SER A 32 4.849 -17.639 -10.276 1.00 0.00 H new ATOM 0 HA SER A 32 5.517 -20.413 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.199 -19.165 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.798 -18.652 -12.546 1.00 0.00 H new ATOM 0 HG SER A 32 2.618 -20.646 -12.668 1.00 0.00 H new ATOM 536 N ALA A 33 6.477 -17.999 -12.827 1.00 0.00 N ATOM 537 CA ALA A 33 7.392 -17.678 -13.925 1.00 0.00 C ATOM 538 C ALA A 33 8.856 -17.828 -13.506 1.00 0.00 C ATOM 539 O ALA A 33 9.686 -18.289 -14.288 1.00 0.00 O ATOM 540 CB ALA A 33 7.129 -16.267 -14.435 1.00 0.00 C ATOM 0 H ALA A 33 5.988 -17.193 -12.439 1.00 0.00 H new ATOM 0 HA ALA A 33 7.206 -18.390 -14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.816 -16.041 -15.251 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.102 -16.195 -14.794 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.280 -15.553 -13.625 1.00 0.00 H new ATOM 546 N LEU A 34 9.167 -17.435 -12.270 1.00 0.00 N ATOM 547 CA LEU A 34 10.530 -17.524 -11.753 1.00 0.00 C ATOM 548 C LEU A 34 10.846 -18.940 -11.271 1.00 0.00 C ATOM 549 O LEU A 34 11.682 -19.630 -11.857 1.00 0.00 O ATOM 550 CB LEU A 34 10.732 -16.524 -10.608 1.00 0.00 C ATOM 551 CG LEU A 34 11.959 -15.620 -10.741 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.601 -14.340 -11.484 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.538 -15.303 -9.369 1.00 0.00 C ATOM 0 H LEU A 34 8.491 -17.052 -11.609 1.00 0.00 H new ATOM 0 HA LEU A 34 11.213 -17.279 -12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.844 -15.896 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.809 -17.078 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 34 12.717 -16.149 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.486 -13.709 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.235 -14.588 -12.480 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.826 -13.805 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.410 -14.659 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.787 -14.794 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.832 -16.229 -8.875 1.00 0.00 H new ATOM 565 N GLY A 35 10.173 -19.364 -10.201 1.00 0.00 N ATOM 566 CA GLY A 35 10.394 -20.692 -9.652 1.00 0.00 C ATOM 567 C GLY A 35 10.348 -20.708 -8.136 1.00 0.00 C ATOM 568 O GLY A 35 11.299 -21.142 -7.485 1.00 0.00 O ATOM 0 H GLY A 35 9.477 -18.808 -9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.638 -21.374 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.362 -21.064 -9.987 1.00 0.00 H new ATOM 572 N LEU A 36 9.236 -20.236 -7.573 1.00 0.00 N ATOM 573 CA LEU A 36 9.062 -20.197 -6.124 1.00 0.00 C ATOM 574 C LEU A 36 7.740 -20.850 -5.719 1.00 0.00 C ATOM 575 O LEU A 36 6.777 -20.161 -5.379 1.00 0.00 O ATOM 576 CB LEU A 36 9.105 -18.751 -5.617 1.00 0.00 C ATOM 577 CG LEU A 36 10.401 -17.989 -5.910 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.093 -16.589 -6.423 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.277 -17.924 -4.666 1.00 0.00 C ATOM 0 H LEU A 36 8.441 -19.875 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 36 9.881 -20.756 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.274 -18.204 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.943 -18.757 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 36 10.948 -18.526 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.026 -16.062 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.508 -16.658 -7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.524 -16.043 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.193 -17.379 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.739 -17.412 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.527 -18.935 -4.344 1.00 0.00 H new ATOM 591 N HIS A 37 7.698 -22.182 -5.754 1.00 0.00 N ATOM 592 CA HIS A 37 6.489 -22.919 -5.384 1.00 0.00 C ATOM 593 C HIS A 37 6.126 -22.677 -3.918 1.00 0.00 C ATOM 594 O HIS A 37 4.946 -22.591 -3.570 1.00 0.00 O ATOM 595 CB HIS A 37 6.671 -24.421 -5.633 1.00 0.00 C ATOM 596 CG HIS A 37 5.494 -25.069 -6.302 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.583 -26.259 -6.995 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.196 -24.687 -6.380 1.00 0.00 C ATOM 599 CE1 HIS A 37 4.392 -26.580 -7.470 1.00 0.00 C ATOM 600 NE2 HIS A 37 3.534 -25.643 -7.111 1.00 0.00 N ATOM 0 H HIS A 37 8.483 -22.771 -6.033 1.00 0.00 H new ATOM 0 HA HIS A 37 5.675 -22.553 -6.009 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.557 -24.573 -6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.856 -24.918 -4.681 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.763 -23.797 -5.948 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.160 -27.459 -8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.540 -25.631 -7.340 1.00 0.00 H new ATOM 609 N ASP A 38 7.147 -22.564 -3.063 1.00 0.00 N ATOM 610 CA ASP A 38 6.937 -22.328 -1.634 1.00 0.00 C ATOM 611 C ASP A 38 6.287 -20.963 -1.385 1.00 0.00 C ATOM 612 O ASP A 38 5.543 -20.794 -0.419 1.00 0.00 O ATOM 613 CB ASP A 38 8.261 -22.420 -0.870 1.00 0.00 C ATOM 614 CG ASP A 38 8.929 -23.776 -1.017 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.669 -23.969 -2.005 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.716 -24.641 -0.142 1.00 0.00 O ATOM 0 H ASP A 38 8.127 -22.632 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 38 6.262 -23.102 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.938 -21.645 -1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.081 -22.221 0.186 1.00 0.00 H new ATOM 621 N TYR A 39 6.563 -19.996 -2.265 1.00 0.00 N ATOM 622 CA TYR A 39 5.990 -18.655 -2.139 1.00 0.00 C ATOM 623 C TYR A 39 4.464 -18.722 -2.091 1.00 0.00 C ATOM 624 O TYR A 39 3.830 -18.013 -1.312 1.00 0.00 O ATOM 625 CB TYR A 39 6.437 -17.770 -3.309 1.00 0.00 C ATOM 626 CG TYR A 39 6.190 -16.288 -3.097 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.800 -15.603 -2.053 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.355 -15.573 -3.949 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.585 -14.251 -1.863 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.134 -14.220 -3.764 1.00 0.00 C ATOM 631 CZ TYR A 39 5.752 -13.565 -2.721 1.00 0.00 C ATOM 632 OH TYR A 39 5.536 -12.218 -2.534 1.00 0.00 O ATOM 0 H TYR A 39 7.178 -20.117 -3.070 1.00 0.00 H new ATOM 0 HA TYR A 39 6.350 -18.219 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.501 -17.928 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.915 -18.089 -4.211 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.453 -16.136 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.871 -16.083 -4.769 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.067 -13.734 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.481 -13.680 -4.433 1.00 0.00 H new ATOM 0 HH TYR A 39 4.925 -11.886 -3.225 1.00 0.00 H new ATOM 642 N HIS A 40 3.880 -19.584 -2.926 1.00 0.00 N ATOM 643 CA HIS A 40 2.428 -19.742 -2.969 1.00 0.00 C ATOM 644 C HIS A 40 1.907 -20.503 -1.743 1.00 0.00 C ATOM 645 O HIS A 40 0.742 -20.356 -1.369 1.00 0.00 O ATOM 646 CB HIS A 40 2.000 -20.456 -4.254 1.00 0.00 C ATOM 647 CG HIS A 40 0.708 -19.940 -4.817 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.290 -20.765 -5.291 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.252 -18.673 -4.977 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.302 -20.030 -5.718 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.999 -18.758 -5.538 1.00 0.00 N ATOM 0 H HIS A 40 4.389 -20.180 -3.578 1.00 0.00 H new ATOM 0 HA HIS A 40 1.990 -18.744 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.785 -20.344 -5.002 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.901 -21.523 -4.053 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.775 -17.766 -4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.221 -20.406 -6.142 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.597 -17.967 -5.777 1.00 0.00 H new ATOM 660 N ASP A 41 2.768 -21.311 -1.114 1.00 0.00 N ATOM 661 CA ASP A 41 2.372 -22.073 0.071 1.00 0.00 C ATOM 662 C ASP A 41 2.203 -21.150 1.275 1.00 0.00 C ATOM 663 O ASP A 41 1.179 -21.189 1.958 1.00 0.00 O ATOM 664 CB ASP A 41 3.403 -23.165 0.393 1.00 0.00 C ATOM 665 CG ASP A 41 3.185 -24.437 -0.407 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.017 -24.761 -0.713 1.00 0.00 O ATOM 667 OD2 ASP A 41 4.186 -25.114 -0.724 1.00 0.00 O ATOM 0 H ASP A 41 3.736 -21.452 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 41 1.416 -22.550 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.404 -22.783 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.358 -23.398 1.457 1.00 0.00 H new ATOM 672 N ILE A 42 3.214 -20.318 1.528 1.00 0.00 N ATOM 673 CA ILE A 42 3.175 -19.384 2.652 1.00 0.00 C ATOM 674 C ILE A 42 2.265 -18.191 2.352 1.00 0.00 C ATOM 675 O ILE A 42 1.460 -17.792 3.195 1.00 0.00 O ATOM 676 CB ILE A 42 4.582 -18.861 3.017 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.563 -20.024 3.201 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.520 -18.012 4.281 1.00 0.00 C ATOM 679 CD1 ILE A 42 7.003 -19.646 2.934 1.00 0.00 C ATOM 0 H ILE A 42 4.067 -20.272 0.971 1.00 0.00 H new ATOM 0 HA ILE A 42 2.776 -19.942 3.500 1.00 0.00 H new ATOM 0 HB ILE A 42 4.940 -18.239 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.478 -20.403 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.279 -20.837 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.519 -17.650 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.857 -17.163 4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.140 -18.615 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.641 -20.517 3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.103 -19.295 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.304 -18.854 3.619 1.00 0.00 H new ATOM 691 N ILE A 43 2.402 -17.623 1.153 1.00 0.00 N ATOM 692 CA ILE A 43 1.595 -16.472 0.753 1.00 0.00 C ATOM 693 C ILE A 43 0.200 -16.902 0.286 1.00 0.00 C ATOM 694 O ILE A 43 -0.800 -16.571 0.924 1.00 0.00 O ATOM 695 CB ILE A 43 2.281 -15.653 -0.367 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.725 -15.308 0.019 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.491 -14.387 -0.661 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.836 -14.417 1.239 1.00 0.00 C ATOM 0 H ILE A 43 3.063 -17.941 0.444 1.00 0.00 H new ATOM 0 HA ILE A 43 1.495 -15.841 1.636 1.00 0.00 H new ATOM 0 HB ILE A 43 2.306 -16.263 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.272 -16.232 0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.209 -14.815 -0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.988 -13.823 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.484 -14.653 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.434 -13.776 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.887 -14.217 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.318 -13.476 1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.383 -14.915 2.096 1.00 0.00 H new ATOM 710 N LYS A 44 0.146 -17.630 -0.836 1.00 0.00 N ATOM 711 CA LYS A 44 -1.114 -18.115 -1.418 1.00 0.00 C ATOM 712 C LYS A 44 -1.853 -17.019 -2.200 1.00 0.00 C ATOM 713 O LYS A 44 -2.585 -17.320 -3.147 1.00 0.00 O ATOM 714 CB LYS A 44 -2.022 -18.703 -0.335 1.00 0.00 C ATOM 715 CG LYS A 44 -2.879 -19.865 -0.822 1.00 0.00 C ATOM 716 CD LYS A 44 -3.166 -20.861 0.292 1.00 0.00 C ATOM 717 CE LYS A 44 -3.593 -22.213 -0.263 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.077 -22.343 -0.354 1.00 0.00 N ATOM 0 H LYS A 44 0.974 -17.900 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.855 -18.901 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.407 -19.041 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.674 -17.917 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.819 -19.482 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.371 -20.373 -1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.276 -20.985 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.950 -20.468 0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.157 -22.352 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.199 -23.006 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.321 -23.279 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.493 -22.237 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.452 -21.604 -0.982 1.00 0.00 H new ATOM 732 N HIS A 45 -1.660 -15.756 -1.810 1.00 0.00 N ATOM 733 CA HIS A 45 -2.308 -14.629 -2.485 1.00 0.00 C ATOM 734 C HIS A 45 -1.386 -13.403 -2.503 1.00 0.00 C ATOM 735 O HIS A 45 -1.649 -12.404 -1.829 1.00 0.00 O ATOM 736 CB HIS A 45 -3.629 -14.287 -1.787 1.00 0.00 C ATOM 737 CG HIS A 45 -4.612 -13.571 -2.665 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.565 -14.224 -3.418 1.00 0.00 N ATOM 739 CD2 HIS A 45 -4.796 -12.248 -2.897 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.292 -13.336 -4.073 1.00 0.00 C ATOM 741 NE2 HIS A 45 -5.846 -12.130 -3.775 1.00 0.00 N ATOM 0 H HIS A 45 -1.060 -15.489 -1.030 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.515 -14.917 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.085 -15.207 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.418 -13.669 -0.914 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.224 -11.437 -2.471 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.112 -13.559 -4.739 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.220 -11.253 -4.138 1.00 0.00 H new ATOM 750 N PRO A 46 -0.281 -13.469 -3.274 1.00 0.00 N ATOM 751 CA PRO A 46 0.689 -12.369 -3.371 1.00 0.00 C ATOM 752 C PRO A 46 0.130 -11.153 -4.113 1.00 0.00 C ATOM 753 O PRO A 46 -0.446 -11.285 -5.195 1.00 0.00 O ATOM 754 CB PRO A 46 1.858 -12.991 -4.141 1.00 0.00 C ATOM 755 CG PRO A 46 1.251 -14.103 -4.927 1.00 0.00 C ATOM 756 CD PRO A 46 0.111 -14.628 -4.099 1.00 0.00 C ATOM 0 HA PRO A 46 0.968 -11.986 -2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.335 -12.260 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.626 -13.361 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.898 -13.748 -5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.983 -14.886 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.713 -14.972 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.419 -15.473 -3.483 1.00 0.00 H new ATOM 764 N MET A 47 0.300 -9.970 -3.517 1.00 0.00 N ATOM 765 CA MET A 47 -0.191 -8.725 -4.112 1.00 0.00 C ATOM 766 C MET A 47 0.950 -7.742 -4.374 1.00 0.00 C ATOM 767 O MET A 47 2.044 -7.886 -3.825 1.00 0.00 O ATOM 768 CB MET A 47 -1.234 -8.076 -3.198 1.00 0.00 C ATOM 769 CG MET A 47 -2.424 -8.974 -2.899 1.00 0.00 C ATOM 770 SD MET A 47 -3.794 -8.084 -2.135 1.00 0.00 S ATOM 771 CE MET A 47 -4.350 -7.082 -3.510 1.00 0.00 C ATOM 0 H MET A 47 0.774 -9.848 -2.622 1.00 0.00 H new ATOM 0 HA MET A 47 -0.651 -8.974 -5.068 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.757 -7.794 -2.259 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.591 -7.157 -3.663 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.767 -9.435 -3.825 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.108 -9.782 -2.239 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.189 -6.029 -3.281 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.788 -7.349 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.412 -7.258 -3.682 1.00 0.00 H new ATOM 781 N ASP A 48 0.686 -6.750 -5.227 1.00 0.00 N ATOM 782 CA ASP A 48 1.690 -5.746 -5.581 1.00 0.00 C ATOM 783 C ASP A 48 1.037 -4.421 -5.982 1.00 0.00 C ATOM 784 O ASP A 48 -0.170 -4.363 -6.231 1.00 0.00 O ATOM 785 CB ASP A 48 2.550 -6.264 -6.734 1.00 0.00 C ATOM 786 CG ASP A 48 1.704 -6.768 -7.887 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.172 -7.892 -7.788 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.559 -6.032 -8.881 1.00 0.00 O ATOM 0 H ASP A 48 -0.216 -6.621 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 48 2.313 -5.566 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.205 -5.467 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.192 -7.069 -6.375 1.00 0.00 H new ATOM 793 N LEU A 49 1.848 -3.361 -6.050 1.00 0.00 N ATOM 794 CA LEU A 49 1.359 -2.029 -6.425 1.00 0.00 C ATOM 795 C LEU A 49 0.739 -2.026 -7.825 1.00 0.00 C ATOM 796 O LEU A 49 -0.262 -1.348 -8.060 1.00 0.00 O ATOM 797 CB LEU A 49 2.495 -0.999 -6.366 1.00 0.00 C ATOM 798 CG LEU A 49 2.146 0.315 -5.656 1.00 0.00 C ATOM 799 CD1 LEU A 49 1.954 0.084 -4.164 1.00 0.00 C ATOM 800 CD2 LEU A 49 3.228 1.360 -5.902 1.00 0.00 C ATOM 0 H LEU A 49 2.848 -3.399 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 49 0.585 -1.758 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.349 -1.451 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.811 -0.771 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 49 1.208 0.688 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.707 1.028 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.143 -0.628 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.874 -0.314 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.963 2.285 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.181 0.994 -5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.315 1.549 -6.972 1.00 0.00 H new ATOM 812 N SER A 50 1.341 -2.781 -8.751 1.00 0.00 N ATOM 813 CA SER A 50 0.841 -2.854 -10.127 1.00 0.00 C ATOM 814 C SER A 50 -0.597 -3.370 -10.164 1.00 0.00 C ATOM 815 O SER A 50 -1.424 -2.865 -10.926 1.00 0.00 O ATOM 816 CB SER A 50 1.737 -3.752 -10.988 1.00 0.00 C ATOM 817 OG SER A 50 2.629 -2.980 -11.773 1.00 0.00 O ATOM 0 H SER A 50 2.171 -3.347 -8.573 1.00 0.00 H new ATOM 0 HA SER A 50 0.859 -1.843 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.303 -4.428 -10.347 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.119 -4.372 -11.638 1.00 0.00 H new ATOM 0 HG SER A 50 3.190 -3.576 -12.312 1.00 0.00 H new ATOM 823 N THR A 51 -0.894 -4.370 -9.331 1.00 0.00 N ATOM 824 CA THR A 51 -2.239 -4.939 -9.267 1.00 0.00 C ATOM 825 C THR A 51 -3.199 -3.965 -8.584 1.00 0.00 C ATOM 826 O THR A 51 -4.342 -3.804 -9.015 1.00 0.00 O ATOM 827 CB THR A 51 -2.222 -6.285 -8.532 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.426 -7.224 -9.232 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.598 -6.897 -8.362 1.00 0.00 C ATOM 0 H THR A 51 -0.223 -4.800 -8.694 1.00 0.00 H new ATOM 0 HA THR A 51 -2.589 -5.111 -10.285 1.00 0.00 H new ATOM 0 HB THR A 51 -1.813 -6.068 -7.545 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.671 -7.496 -8.670 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.511 -7.847 -7.834 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.229 -6.219 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.045 -7.066 -9.342 1.00 0.00 H new ATOM 837 N VAL A 52 -2.721 -3.307 -7.525 1.00 0.00 N ATOM 838 CA VAL A 52 -3.532 -2.335 -6.793 1.00 0.00 C ATOM 839 C VAL A 52 -3.905 -1.153 -7.692 1.00 0.00 C ATOM 840 O VAL A 52 -5.030 -0.652 -7.639 1.00 0.00 O ATOM 841 CB VAL A 52 -2.796 -1.805 -5.541 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.675 -0.831 -4.771 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.351 -2.955 -4.644 1.00 0.00 C ATOM 0 H VAL A 52 -1.778 -3.430 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.437 -2.852 -6.474 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.906 -1.271 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.137 -0.471 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.931 0.013 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.588 -1.336 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.836 -2.556 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.223 -3.524 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.676 -3.608 -5.197 1.00 0.00 H new ATOM 853 N LYS A 53 -2.951 -0.718 -8.521 1.00 0.00 N ATOM 854 CA LYS A 53 -3.172 0.400 -9.438 1.00 0.00 C ATOM 855 C LYS A 53 -4.345 0.112 -10.374 1.00 0.00 C ATOM 856 O LYS A 53 -5.199 0.972 -10.586 1.00 0.00 O ATOM 857 CB LYS A 53 -1.903 0.674 -10.255 1.00 0.00 C ATOM 858 CG LYS A 53 -1.712 2.139 -10.629 1.00 0.00 C ATOM 859 CD LYS A 53 -0.263 2.574 -10.456 1.00 0.00 C ATOM 860 CE LYS A 53 -0.072 4.050 -10.784 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.196 4.328 -12.246 1.00 0.00 N ATOM 0 H LYS A 53 -2.017 -1.125 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.412 1.283 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.037 0.339 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.934 0.078 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.019 2.295 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.357 2.761 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.053 2.386 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.377 1.972 -11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.811 4.639 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.910 4.373 -10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.042 5.341 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.515 3.775 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.148 4.062 -12.571 1.00 0.00 H new ATOM 875 N ARG A 54 -4.387 -1.105 -10.924 1.00 0.00 N ATOM 876 CA ARG A 54 -5.468 -1.500 -11.830 1.00 0.00 C ATOM 877 C ARG A 54 -6.831 -1.360 -11.148 1.00 0.00 C ATOM 878 O ARG A 54 -7.789 -0.878 -11.755 1.00 0.00 O ATOM 879 CB ARG A 54 -5.270 -2.943 -12.314 1.00 0.00 C ATOM 880 CG ARG A 54 -5.835 -3.209 -13.703 1.00 0.00 C ATOM 881 CD ARG A 54 -5.951 -4.701 -13.985 1.00 0.00 C ATOM 882 NE ARG A 54 -6.361 -4.975 -15.364 1.00 0.00 N ATOM 883 CZ ARG A 54 -6.225 -6.163 -15.964 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.693 -7.194 -15.311 1.00 0.00 N ATOM 885 NH2 ARG A 54 -6.625 -6.322 -17.221 1.00 0.00 N ATOM 0 H ARG A 54 -3.689 -1.830 -10.759 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.441 -0.833 -12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.204 -3.173 -12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.742 -3.622 -11.604 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.817 -2.744 -13.792 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.193 -2.745 -14.452 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.992 -5.181 -13.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.673 -5.143 -13.299 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.776 -4.213 -15.900 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.385 -7.082 -14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.593 -8.096 -15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.036 -5.538 -17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.521 -7.228 -17.678 1.00 0.00 H new ATOM 899 N LYS A 55 -6.911 -1.777 -9.881 1.00 0.00 N ATOM 900 CA LYS A 55 -8.157 -1.689 -9.120 1.00 0.00 C ATOM 901 C LYS A 55 -8.545 -0.230 -8.884 1.00 0.00 C ATOM 902 O LYS A 55 -9.701 0.149 -9.075 1.00 0.00 O ATOM 903 CB LYS A 55 -8.022 -2.418 -7.779 1.00 0.00 C ATOM 904 CG LYS A 55 -8.319 -3.908 -7.858 1.00 0.00 C ATOM 905 CD LYS A 55 -7.138 -4.737 -7.379 1.00 0.00 C ATOM 906 CE LYS A 55 -7.512 -6.204 -7.225 1.00 0.00 C ATOM 907 NZ LYS A 55 -8.171 -6.481 -5.916 1.00 0.00 N ATOM 0 H LYS A 55 -6.129 -2.178 -9.363 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.943 -2.169 -9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.009 -2.278 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.698 -1.960 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.196 -4.138 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.561 -4.178 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.315 -4.643 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.783 -4.349 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.181 -6.494 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.616 -6.818 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.408 -7.492 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.524 -6.229 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.041 -5.916 -5.839 1.00 0.00 H new ATOM 921 N MET A 56 -7.571 0.586 -8.477 1.00 0.00 N ATOM 922 CA MET A 56 -7.814 2.009 -8.225 1.00 0.00 C ATOM 923 C MET A 56 -8.200 2.737 -9.514 1.00 0.00 C ATOM 924 O MET A 56 -8.991 3.679 -9.488 1.00 0.00 O ATOM 925 CB MET A 56 -6.577 2.668 -7.611 1.00 0.00 C ATOM 926 CG MET A 56 -6.281 2.214 -6.189 1.00 0.00 C ATOM 927 SD MET A 56 -5.608 3.536 -5.163 1.00 0.00 S ATOM 928 CE MET A 56 -7.083 4.096 -4.314 1.00 0.00 C ATOM 0 H MET A 56 -6.609 0.288 -8.315 1.00 0.00 H new ATOM 0 HA MET A 56 -8.643 2.083 -7.521 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.712 2.452 -8.239 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.713 3.750 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.197 1.837 -5.734 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.574 1.385 -6.216 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.827 4.914 -3.641 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.814 4.442 -5.045 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.507 3.273 -3.739 1.00 0.00 H new ATOM 938 N GLU A 57 -7.638 2.289 -10.639 1.00 0.00 N ATOM 939 CA GLU A 57 -7.926 2.890 -11.941 1.00 0.00 C ATOM 940 C GLU A 57 -9.341 2.548 -12.406 1.00 0.00 C ATOM 941 O GLU A 57 -9.980 3.331 -13.110 1.00 0.00 O ATOM 942 CB GLU A 57 -6.914 2.417 -12.983 1.00 0.00 C ATOM 943 CG GLU A 57 -5.613 3.203 -12.971 1.00 0.00 C ATOM 944 CD GLU A 57 -4.845 3.082 -14.272 1.00 0.00 C ATOM 945 OE1 GLU A 57 -4.514 1.942 -14.664 1.00 0.00 O ATOM 946 OE2 GLU A 57 -4.571 4.126 -14.899 1.00 0.00 O ATOM 0 H GLU A 57 -6.980 1.511 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.850 3.972 -11.831 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.694 1.364 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.364 2.491 -13.973 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.830 4.254 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.988 2.851 -12.151 1.00 0.00 H new ATOM 953 N ASN A 58 -9.827 1.375 -12.001 1.00 0.00 N ATOM 954 CA ASN A 58 -11.163 0.930 -12.364 1.00 0.00 C ATOM 955 C ASN A 58 -12.151 1.195 -11.226 1.00 0.00 C ATOM 956 O ASN A 58 -13.352 0.958 -11.374 1.00 0.00 O ATOM 957 CB ASN A 58 -11.148 -0.563 -12.709 1.00 0.00 C ATOM 958 CG ASN A 58 -11.396 -0.817 -14.184 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.536 -0.988 -14.612 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.326 -0.841 -14.972 1.00 0.00 N ATOM 0 H ASN A 58 -9.309 0.717 -11.419 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.485 1.494 -13.239 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.185 -0.989 -12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.909 -1.077 -12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.433 -1.006 -15.973 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.398 -0.694 -14.576 1.00 0.00 H new ATOM 967 N ARG A 59 -11.641 1.683 -10.085 1.00 0.00 N ATOM 968 CA ARG A 59 -12.473 1.970 -8.928 1.00 0.00 C ATOM 969 C ARG A 59 -13.047 0.680 -8.348 1.00 0.00 C ATOM 970 O ARG A 59 -14.238 0.591 -8.043 1.00 0.00 O ATOM 971 CB ARG A 59 -13.586 2.943 -9.307 1.00 0.00 C ATOM 972 CG ARG A 59 -14.175 3.678 -8.115 1.00 0.00 C ATOM 973 CD ARG A 59 -14.809 5.000 -8.525 1.00 0.00 C ATOM 974 NE ARG A 59 -16.258 4.998 -8.328 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.127 4.457 -9.186 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.701 3.860 -10.298 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.429 4.508 -8.929 1.00 0.00 N ATOM 0 H ARG A 59 -10.651 1.885 -9.948 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.857 2.438 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.195 3.672 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.380 2.396 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.924 3.049 -7.634 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.393 3.863 -7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.366 5.810 -7.945 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.586 5.199 -9.573 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.627 5.436 -7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.703 3.813 -10.501 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.373 3.450 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.764 4.960 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.094 4.096 -9.583 1.00 0.00 H new ATOM 991 N ASP A 60 -12.180 -0.317 -8.192 1.00 0.00 N ATOM 992 CA ASP A 60 -12.573 -1.609 -7.639 1.00 0.00 C ATOM 993 C ASP A 60 -12.815 -1.500 -6.135 1.00 0.00 C ATOM 994 O ASP A 60 -13.674 -2.189 -5.581 1.00 0.00 O ATOM 995 CB ASP A 60 -11.481 -2.648 -7.909 1.00 0.00 C ATOM 996 CG ASP A 60 -11.884 -4.046 -7.480 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.591 -4.724 -8.255 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.488 -4.463 -6.371 1.00 0.00 O ATOM 0 H ASP A 60 -11.193 -0.253 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.499 -1.922 -8.122 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.245 -2.653 -8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.572 -2.359 -7.382 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.042 -0.634 -5.483 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.153 -0.427 -4.041 1.00 0.00 C ATOM 1005 C TYR A 61 -13.451 0.296 -3.680 1.00 0.00 C ATOM 1006 O TYR A 61 -14.256 -0.215 -2.902 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.948 0.367 -3.532 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.638 -0.384 -3.647 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.323 -1.407 -2.762 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.717 -0.070 -4.640 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.129 -2.094 -2.860 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.520 -0.754 -4.746 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.231 -1.765 -3.853 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.039 -2.448 -3.956 1.00 0.00 O ATOM 0 H TYR A 61 -11.328 -0.061 -5.934 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.170 -1.405 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.874 1.299 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.114 0.635 -2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.024 -1.670 -1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.940 0.721 -5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.900 -2.885 -2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.815 -0.498 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.135 -3.336 -3.552 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.644 1.489 -4.251 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.843 2.294 -3.995 1.00 0.00 C ATOM 1026 C ARG A 62 -14.947 2.716 -2.523 1.00 0.00 C ATOM 1027 O ARG A 62 -16.009 3.156 -2.073 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.106 1.527 -4.412 1.00 0.00 C ATOM 1029 CG ARG A 62 -15.989 0.865 -5.775 1.00 0.00 C ATOM 1030 CD ARG A 62 -17.340 0.395 -6.296 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.205 -0.393 -7.523 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.237 -0.832 -8.252 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.488 -0.562 -7.889 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.015 -1.547 -9.351 1.00 0.00 N ATOM 0 H ARG A 62 -12.982 1.920 -4.896 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.758 3.200 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.323 0.765 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.952 2.214 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.551 1.568 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.310 0.015 -5.709 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.836 -0.204 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.977 1.259 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.264 -0.622 -7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.668 -0.015 -7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.267 -0.902 -8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.059 -1.760 -9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.801 -1.883 -9.908 1.00 0.00 H new ATOM 1048 N ASP A 63 -13.842 2.590 -1.779 1.00 0.00 N ATOM 1049 CA ASP A 63 -13.813 2.964 -0.366 1.00 0.00 C ATOM 1050 C ASP A 63 -12.396 2.866 0.198 1.00 0.00 C ATOM 1051 O ASP A 63 -11.540 2.182 -0.367 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.754 2.071 0.450 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.225 2.742 1.725 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.907 3.784 1.630 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -14.905 2.231 2.819 1.00 0.00 O ATOM 0 H ASP A 63 -12.956 2.231 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.149 3.998 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.618 1.806 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.243 1.141 0.699 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.159 3.546 1.323 1.00 0.00 N ATOM 1061 CA ALA A 64 -10.850 3.529 1.975 1.00 0.00 C ATOM 1062 C ALA A 64 -10.665 2.253 2.791 1.00 0.00 C ATOM 1063 O ALA A 64 -9.570 1.690 2.837 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.674 4.754 2.861 1.00 0.00 C ATOM 0 H ALA A 64 -12.858 4.115 1.800 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.087 3.552 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.694 4.721 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.753 5.656 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.449 4.763 3.628 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.745 1.800 3.431 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.706 0.585 4.242 1.00 0.00 C ATOM 1072 C GLN A 65 -11.295 -0.622 3.397 1.00 0.00 C ATOM 1073 O GLN A 65 -10.567 -1.497 3.868 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.069 0.333 4.895 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.248 1.048 6.228 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.398 2.551 6.074 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.507 3.063 5.926 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -12.278 3.267 6.108 1.00 0.00 N ATOM 0 H GLN A 65 -12.656 2.257 3.402 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.961 0.725 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.855 0.654 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.197 -0.739 5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.128 0.650 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.390 0.837 6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.379 2.802 6.233 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.318 4.281 6.009 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.755 -0.661 2.144 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.421 -1.763 1.240 1.00 0.00 C ATOM 1089 C GLU A 66 -9.935 -1.747 0.878 1.00 0.00 C ATOM 1090 O GLU A 66 -9.288 -2.794 0.839 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.268 -1.687 -0.033 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.576 -2.456 0.062 1.00 0.00 C ATOM 1093 CD GLU A 66 -14.732 -1.584 0.515 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -14.834 -1.317 1.731 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -15.534 -1.169 -0.346 1.00 0.00 O ATOM 0 H GLU A 66 -12.356 0.054 1.735 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.639 -2.697 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.485 -0.642 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.687 -2.075 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.811 -2.888 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.456 -3.285 0.759 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.401 -0.554 0.616 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.990 -0.402 0.261 1.00 0.00 C ATOM 1104 C PHE A 67 -7.084 -0.781 1.432 1.00 0.00 C ATOM 1105 O PHE A 67 -6.049 -1.422 1.243 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.703 1.039 -0.173 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.345 1.226 -0.795 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.237 1.497 -0.007 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.180 1.134 -2.167 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -3.991 1.670 -0.578 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.937 1.306 -2.742 1.00 0.00 C ATOM 1112 CZ PHE A 67 -3.841 1.574 -1.947 1.00 0.00 C ATOM 0 H PHE A 67 -9.924 0.321 0.643 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.779 -1.076 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.465 1.353 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.789 1.694 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.349 1.574 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.034 0.925 -2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.135 1.880 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.822 1.231 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.868 1.708 -2.395 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.482 -0.378 2.642 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.710 -0.671 3.849 1.00 0.00 C ATOM 1124 C ALA A 68 -6.451 -2.167 3.995 1.00 0.00 C ATOM 1125 O ALA A 68 -5.324 -2.584 4.263 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.428 -0.142 5.081 1.00 0.00 C ATOM 0 H ALA A 68 -8.336 0.153 2.810 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.747 -0.169 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.840 -0.369 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.553 0.937 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.407 -0.615 5.163 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.501 -2.970 3.813 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.385 -4.423 3.922 1.00 0.00 C ATOM 1134 C ALA A 69 -6.357 -4.971 2.931 1.00 0.00 C ATOM 1135 O ALA A 69 -5.605 -5.892 3.252 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.737 -5.087 3.702 1.00 0.00 C ATOM 0 H ALA A 69 -8.439 -2.638 3.590 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.042 -4.655 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.629 -6.168 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.443 -4.732 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.108 -4.836 2.708 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.330 -4.396 1.726 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.395 -4.825 0.686 1.00 0.00 C ATOM 1144 C ASP A 70 -3.951 -4.499 1.070 1.00 0.00 C ATOM 1145 O ASP A 70 -3.045 -5.299 0.838 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.743 -4.161 -0.653 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.803 -4.925 -1.429 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.782 -5.388 -0.806 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.658 -5.053 -2.663 1.00 0.00 O ATOM 0 H ASP A 70 -6.946 -3.632 1.448 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.485 -5.906 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.094 -3.146 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.841 -4.082 -1.260 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.742 -3.322 1.659 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.406 -2.899 2.071 1.00 0.00 C ATOM 1156 C VAL A 71 -1.913 -3.718 3.264 1.00 0.00 C ATOM 1157 O VAL A 71 -0.775 -4.189 3.274 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.368 -1.402 2.439 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.943 -0.963 2.737 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.971 -0.557 1.325 1.00 0.00 C ATOM 0 H VAL A 71 -4.479 -2.647 1.861 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.749 -3.067 1.218 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.967 -1.254 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.935 0.096 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.551 -1.543 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.320 -1.127 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.934 0.496 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.404 -0.708 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.008 -0.853 1.164 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.778 -3.885 4.265 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.432 -4.650 5.462 1.00 0.00 C ATOM 1172 C ARG A 72 -2.076 -6.096 5.106 1.00 0.00 C ATOM 1173 O ARG A 72 -1.202 -6.700 5.732 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.590 -4.623 6.465 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.143 -4.645 7.920 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.600 -5.915 8.623 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.227 -5.932 10.038 1.00 0.00 N ATOM 1178 CZ ARG A 72 -3.262 -7.026 10.807 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -3.658 -8.195 10.306 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -2.902 -6.952 12.084 1.00 0.00 N ATOM 0 H ARG A 72 -3.723 -3.501 4.270 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.558 -4.186 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.188 -3.728 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.238 -5.480 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.057 -4.571 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.546 -3.775 8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.682 -6.007 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.164 -6.781 8.124 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.922 -5.057 10.464 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.938 -8.262 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.681 -9.023 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.599 -6.061 12.478 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.929 -7.786 12.671 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.755 -6.643 4.095 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.511 -8.014 3.648 1.00 0.00 C ATOM 1196 C LEU A 73 -1.099 -8.166 3.085 1.00 0.00 C ATOM 1197 O LEU A 73 -0.399 -9.132 3.397 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.541 -8.414 2.585 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.398 -9.837 2.036 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.762 -10.413 1.688 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -2.484 -9.852 0.817 1.00 0.00 C ATOM 0 H LEU A 73 -3.480 -6.155 3.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.609 -8.673 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.539 -8.305 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.471 -7.713 1.753 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.948 -10.460 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.642 -11.424 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.385 -10.440 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.239 -9.788 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.395 -10.871 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.904 -9.214 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.498 -9.481 1.097 1.00 0.00 H new ATOM 1213 N MET A 74 -0.686 -7.207 2.254 1.00 0.00 N ATOM 1214 CA MET A 74 0.644 -7.233 1.645 1.00 0.00 C ATOM 1215 C MET A 74 1.734 -7.209 2.713 1.00 0.00 C ATOM 1216 O MET A 74 2.702 -7.968 2.639 1.00 0.00 O ATOM 1217 CB MET A 74 0.821 -6.045 0.693 1.00 0.00 C ATOM 1218 CG MET A 74 1.731 -6.338 -0.492 1.00 0.00 C ATOM 1219 SD MET A 74 1.302 -5.372 -1.954 1.00 0.00 S ATOM 1220 CE MET A 74 2.813 -4.443 -2.206 1.00 0.00 C ATOM 0 H MET A 74 -1.254 -6.403 1.988 1.00 0.00 H new ATOM 0 HA MET A 74 0.735 -8.159 1.078 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.157 -5.740 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.227 -5.201 1.251 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.763 -6.128 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.676 -7.399 -0.734 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.702 -3.798 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.016 -3.833 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.641 -5.133 -2.368 1.00 0.00 H new ATOM 1230 N PHE A 75 1.569 -6.337 3.709 1.00 0.00 N ATOM 1231 CA PHE A 75 2.539 -6.220 4.796 1.00 0.00 C ATOM 1232 C PHE A 75 2.625 -7.521 5.593 1.00 0.00 C ATOM 1233 O PHE A 75 3.715 -7.948 5.978 1.00 0.00 O ATOM 1234 CB PHE A 75 2.171 -5.059 5.727 1.00 0.00 C ATOM 1235 CG PHE A 75 2.493 -3.706 5.156 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.773 -3.414 4.709 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.517 -2.726 5.064 1.00 0.00 C ATOM 1238 CE1 PHE A 75 4.072 -2.173 4.183 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.812 -1.483 4.538 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.091 -1.206 4.097 1.00 0.00 C ATOM 0 H PHE A 75 0.774 -5.703 3.784 1.00 0.00 H new ATOM 0 HA PHE A 75 3.514 -6.020 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.105 -5.106 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.700 -5.181 6.672 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.545 -4.166 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.515 -2.936 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.073 -1.959 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.042 -0.728 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.323 -0.235 3.686 1.00 0.00 H new ATOM 1250 N SER A 76 1.472 -8.152 5.828 1.00 0.00 N ATOM 1251 CA SER A 76 1.424 -9.410 6.572 1.00 0.00 C ATOM 1252 C SER A 76 2.096 -10.535 5.786 1.00 0.00 C ATOM 1253 O SER A 76 2.762 -11.394 6.366 1.00 0.00 O ATOM 1254 CB SER A 76 -0.023 -9.797 6.896 1.00 0.00 C ATOM 1255 OG SER A 76 -0.089 -10.590 8.069 1.00 0.00 O ATOM 0 H SER A 76 0.563 -7.813 5.514 1.00 0.00 H new ATOM 0 HA SER A 76 1.967 -9.262 7.506 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.623 -8.896 7.028 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.452 -10.346 6.058 1.00 0.00 H new ATOM 0 HG SER A 76 -1.023 -10.822 8.255 1.00 0.00 H new ATOM 1261 N ASN A 77 1.914 -10.526 4.463 1.00 0.00 N ATOM 1262 CA ASN A 77 2.501 -11.549 3.599 1.00 0.00 C ATOM 1263 C ASN A 77 4.027 -11.484 3.616 1.00 0.00 C ATOM 1264 O ASN A 77 4.697 -12.517 3.649 1.00 0.00 O ATOM 1265 CB ASN A 77 1.989 -11.399 2.163 1.00 0.00 C ATOM 1266 CG ASN A 77 0.727 -12.207 1.907 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.408 -13.135 2.650 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.003 -11.862 0.847 1.00 0.00 N ATOM 0 H ASN A 77 1.365 -9.822 3.969 1.00 0.00 H new ATOM 0 HA ASN A 77 2.196 -12.521 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.790 -10.347 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.767 -11.716 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.851 -12.373 0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.302 -11.086 0.256 1.00 0.00 H new ATOM 1275 N CYS A 78 4.571 -10.265 3.592 1.00 0.00 N ATOM 1276 CA CYS A 78 6.022 -10.069 3.606 1.00 0.00 C ATOM 1277 C CYS A 78 6.647 -10.660 4.871 1.00 0.00 C ATOM 1278 O CYS A 78 7.704 -11.289 4.811 1.00 0.00 O ATOM 1279 CB CYS A 78 6.361 -8.579 3.504 1.00 0.00 C ATOM 1280 SG CYS A 78 6.509 -7.971 1.806 1.00 0.00 S ATOM 0 H CYS A 78 4.030 -9.401 3.563 1.00 0.00 H new ATOM 0 HA CYS A 78 6.437 -10.589 2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.590 -8.006 4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.299 -8.394 4.028 1.00 0.00 H new ATOM 0 HG CYS A 78 6.795 -6.703 1.823 1.00 0.00 H new ATOM 1286 N TYR A 79 5.987 -10.458 6.013 1.00 0.00 N ATOM 1287 CA TYR A 79 6.481 -10.977 7.288 1.00 0.00 C ATOM 1288 C TYR A 79 6.476 -12.506 7.301 1.00 0.00 C ATOM 1289 O TYR A 79 7.394 -13.131 7.834 1.00 0.00 O ATOM 1290 CB TYR A 79 5.635 -10.443 8.448 1.00 0.00 C ATOM 1291 CG TYR A 79 6.431 -9.699 9.500 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.022 -8.473 9.218 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.581 -10.221 10.780 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.739 -7.789 10.182 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.298 -9.543 11.747 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.874 -8.327 11.444 1.00 0.00 C ATOM 1297 OH TYR A 79 8.584 -7.645 12.407 1.00 0.00 O ATOM 0 H TYR A 79 5.111 -9.940 6.080 1.00 0.00 H new ATOM 0 HA TYR A 79 7.509 -10.636 7.410 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.869 -9.778 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.118 -11.278 8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.919 -8.048 8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.130 -11.172 11.022 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.192 -6.837 9.947 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.407 -9.963 12.736 1.00 0.00 H new ATOM 0 HH TYR A 79 8.583 -8.160 13.241 1.00 0.00 H new ATOM 1307 N LYS A 80 5.438 -13.103 6.712 1.00 0.00 N ATOM 1308 CA LYS A 80 5.320 -14.560 6.658 1.00 0.00 C ATOM 1309 C LYS A 80 6.362 -15.169 5.715 1.00 0.00 C ATOM 1310 O LYS A 80 6.848 -16.276 5.954 1.00 0.00 O ATOM 1311 CB LYS A 80 3.912 -14.973 6.213 1.00 0.00 C ATOM 1312 CG LYS A 80 2.803 -14.474 7.130 1.00 0.00 C ATOM 1313 CD LYS A 80 2.558 -15.431 8.287 1.00 0.00 C ATOM 1314 CE LYS A 80 1.449 -14.930 9.202 1.00 0.00 C ATOM 1315 NZ LYS A 80 1.983 -14.196 10.386 1.00 0.00 N ATOM 0 H LYS A 80 4.670 -12.601 6.267 1.00 0.00 H new ATOM 0 HA LYS A 80 5.502 -14.941 7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.735 -14.595 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.863 -16.061 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.068 -13.491 7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.884 -14.352 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.293 -16.414 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.477 -15.553 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.785 -14.274 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.850 -15.775 9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.193 -13.874 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.596 -14.828 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.533 -13.373 10.066 1.00 0.00 H new ATOM 1329 N TYR A 81 6.696 -14.448 4.642 1.00 0.00 N ATOM 1330 CA TYR A 81 7.675 -14.930 3.667 1.00 0.00 C ATOM 1331 C TYR A 81 9.095 -14.885 4.234 1.00 0.00 C ATOM 1332 O TYR A 81 9.715 -15.930 4.439 1.00 0.00 O ATOM 1333 CB TYR A 81 7.592 -14.112 2.373 1.00 0.00 C ATOM 1334 CG TYR A 81 8.566 -14.557 1.299 1.00 0.00 C ATOM 1335 CD1 TYR A 81 8.659 -15.893 0.925 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.389 -13.638 0.658 1.00 0.00 C ATOM 1337 CE1 TYR A 81 9.545 -16.300 -0.055 1.00 0.00 C ATOM 1338 CE2 TYR A 81 10.277 -14.038 -0.323 1.00 0.00 C ATOM 1339 CZ TYR A 81 10.350 -15.369 -0.676 1.00 0.00 C ATOM 1340 OH TYR A 81 11.233 -15.771 -1.654 1.00 0.00 O ATOM 0 H TYR A 81 6.304 -13.531 4.427 1.00 0.00 H new ATOM 0 HA TYR A 81 7.436 -15.969 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.578 -14.177 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.777 -13.063 2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 81 8.029 -16.625 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.334 -12.595 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.606 -17.342 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.910 -13.312 -0.811 1.00 0.00 H new ATOM 0 HH TYR A 81 11.724 -14.993 -1.991 1.00 0.00 H new ATOM 1350 N ASN A 82 9.607 -13.678 4.483 1.00 0.00 N ATOM 1351 CA ASN A 82 10.957 -13.520 5.024 1.00 0.00 C ATOM 1352 C ASN A 82 10.916 -13.039 6.476 1.00 0.00 C ATOM 1353 O ASN A 82 10.389 -11.964 6.769 1.00 0.00 O ATOM 1354 CB ASN A 82 11.788 -12.555 4.165 1.00 0.00 C ATOM 1355 CG ASN A 82 11.016 -11.315 3.743 1.00 0.00 C ATOM 1356 OD1 ASN A 82 10.959 -10.321 4.622 1.00 0.00 O flip ATOM 1357 ND2 ASN A 82 10.474 -11.255 2.640 1.00 0.00 N flip ATOM 0 H ASN A 82 9.111 -12.802 4.320 1.00 0.00 H new ATOM 0 HA ASN A 82 11.436 -14.499 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.673 -12.252 4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.137 -13.079 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.543 -12.042 1.995 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.956 -10.418 2.371 1.00 0.00 H new ATOM 1364 N PRO A 83 11.480 -13.837 7.406 1.00 0.00 N ATOM 1365 CA PRO A 83 11.514 -13.498 8.836 1.00 0.00 C ATOM 1366 C PRO A 83 12.232 -12.173 9.095 1.00 0.00 C ATOM 1367 O PRO A 83 13.196 -11.836 8.401 1.00 0.00 O ATOM 1368 CB PRO A 83 12.285 -14.664 9.469 1.00 0.00 C ATOM 1369 CG PRO A 83 12.177 -15.779 8.486 1.00 0.00 C ATOM 1370 CD PRO A 83 12.130 -15.131 7.134 1.00 0.00 C ATOM 0 HA PRO A 83 10.513 -13.367 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.326 -14.397 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.857 -14.944 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.029 -16.454 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.281 -16.373 8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.128 -15.001 6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.560 -15.727 6.421 1.00 0.00 H new ATOM 1378 N PRO A 84 11.761 -11.394 10.092 1.00 0.00 N ATOM 1379 CA PRO A 84 12.352 -10.095 10.429 1.00 0.00 C ATOM 1380 C PRO A 84 13.813 -10.195 10.847 1.00 0.00 C ATOM 1381 O PRO A 84 14.136 -10.706 11.921 1.00 0.00 O ATOM 1382 CB PRO A 84 11.495 -9.577 11.583 1.00 0.00 C ATOM 1383 CG PRO A 84 10.770 -10.768 12.111 1.00 0.00 C ATOM 1384 CD PRO A 84 10.608 -11.712 10.953 1.00 0.00 C ATOM 0 HA PRO A 84 12.357 -9.432 9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.113 -9.120 12.356 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.797 -8.813 11.240 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.331 -11.237 12.919 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.800 -10.483 12.519 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.623 -12.753 11.277 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.663 -11.553 10.434 1.00 0.00 H new ATOM 1392 N ASP A 85 14.683 -9.690 9.979 1.00 0.00 N ATOM 1393 CA ASP A 85 16.130 -9.691 10.212 1.00 0.00 C ATOM 1394 C ASP A 85 16.878 -9.147 8.989 1.00 0.00 C ATOM 1395 O ASP A 85 17.888 -9.712 8.562 1.00 0.00 O ATOM 1396 CB ASP A 85 16.623 -11.110 10.540 1.00 0.00 C ATOM 1397 CG ASP A 85 17.326 -11.191 11.883 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.275 -10.409 12.107 1.00 0.00 O ATOM 1399 OD2 ASP A 85 16.930 -12.040 12.709 1.00 0.00 O ATOM 0 H ASP A 85 14.409 -9.267 9.092 1.00 0.00 H new ATOM 0 HA ASP A 85 16.335 -9.041 11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.775 -11.795 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.304 -11.443 9.757 1.00 0.00 H new ATOM 1404 N HIS A 86 16.368 -8.049 8.424 1.00 0.00 N ATOM 1405 CA HIS A 86 16.978 -7.434 7.247 1.00 0.00 C ATOM 1406 C HIS A 86 16.347 -6.074 6.949 1.00 0.00 C ATOM 1407 O HIS A 86 15.448 -5.625 7.665 1.00 0.00 O ATOM 1408 CB HIS A 86 16.814 -8.352 6.028 1.00 0.00 C ATOM 1409 CG HIS A 86 18.098 -8.712 5.338 1.00 0.00 C ATOM 1410 ND1 HIS A 86 19.267 -7.985 5.467 1.00 0.00 N ATOM 1411 CD2 HIS A 86 18.386 -9.733 4.496 1.00 0.00 C ATOM 1412 CE1 HIS A 86 20.213 -8.545 4.733 1.00 0.00 C ATOM 1413 NE2 HIS A 86 19.704 -9.607 4.135 1.00 0.00 N ATOM 0 H HIS A 86 15.534 -7.570 8.764 1.00 0.00 H new ATOM 0 HA HIS A 86 18.038 -7.288 7.455 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.318 -9.269 6.345 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.155 -7.865 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.704 -10.504 4.169 1.00 0.00 H new ATOM 0 HE1 HIS A 86 21.230 -8.194 4.638 1.00 0.00 H new ATOM 0 HE2 HIS A 86 20.209 -10.232 3.507 1.00 0.00 H new ATOM 1422 N ASP A 87 16.814 -5.429 5.879 1.00 0.00 N ATOM 1423 CA ASP A 87 16.289 -4.127 5.477 1.00 0.00 C ATOM 1424 C ASP A 87 14.915 -4.266 4.819 1.00 0.00 C ATOM 1425 O ASP A 87 14.077 -3.373 4.934 1.00 0.00 O ATOM 1426 CB ASP A 87 17.257 -3.428 4.517 1.00 0.00 C ATOM 1427 CG ASP A 87 17.064 -1.921 4.489 1.00 0.00 C ATOM 1428 OD1 ASP A 87 16.987 -1.309 5.576 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.993 -1.354 3.379 1.00 0.00 O ATOM 0 H ASP A 87 17.555 -5.788 5.277 1.00 0.00 H new ATOM 0 HA ASP A 87 16.182 -3.521 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.282 -3.654 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.118 -3.827 3.512 1.00 0.00 H new ATOM 1434 N VAL A 88 14.691 -5.389 4.130 1.00 0.00 N ATOM 1435 CA VAL A 88 13.415 -5.637 3.457 1.00 0.00 C ATOM 1436 C VAL A 88 12.254 -5.626 4.452 1.00 0.00 C ATOM 1437 O VAL A 88 11.232 -4.979 4.215 1.00 0.00 O ATOM 1438 CB VAL A 88 13.419 -6.985 2.698 1.00 0.00 C ATOM 1439 CG1 VAL A 88 12.117 -7.172 1.930 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.616 -7.072 1.758 1.00 0.00 C ATOM 0 H VAL A 88 15.375 -6.138 4.024 1.00 0.00 H new ATOM 0 HA VAL A 88 13.281 -4.830 2.737 1.00 0.00 H new ATOM 0 HB VAL A 88 13.503 -7.788 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.139 -8.126 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.279 -7.162 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.000 -6.362 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.599 -8.028 1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.569 -6.260 1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.538 -6.990 2.334 1.00 0.00 H new ATOM 1450 N VAL A 89 12.415 -6.344 5.564 1.00 0.00 N ATOM 1451 CA VAL A 89 11.376 -6.410 6.590 1.00 0.00 C ATOM 1452 C VAL A 89 11.106 -5.026 7.182 1.00 0.00 C ATOM 1453 O VAL A 89 9.955 -4.599 7.286 1.00 0.00 O ATOM 1454 CB VAL A 89 11.759 -7.380 7.729 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.602 -7.544 8.703 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.193 -8.731 7.172 1.00 0.00 C ATOM 0 H VAL A 89 13.253 -6.886 5.776 1.00 0.00 H new ATOM 0 HA VAL A 89 10.474 -6.781 6.103 1.00 0.00 H new ATOM 0 HB VAL A 89 12.604 -6.953 8.269 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.891 -8.231 9.498 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.349 -6.575 9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.736 -7.943 8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.457 -9.396 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.375 -9.169 6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.058 -8.596 6.522 1.00 0.00 H new ATOM 1466 N ALA A 90 12.179 -4.331 7.562 1.00 0.00 N ATOM 1467 CA ALA A 90 12.070 -2.992 8.136 1.00 0.00 C ATOM 1468 C ALA A 90 11.497 -2.000 7.120 1.00 0.00 C ATOM 1469 O ALA A 90 10.820 -1.042 7.493 1.00 0.00 O ATOM 1470 CB ALA A 90 13.432 -2.519 8.629 1.00 0.00 C ATOM 0 H ALA A 90 13.136 -4.676 7.482 1.00 0.00 H new ATOM 0 HA ALA A 90 11.384 -3.040 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.338 -1.520 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.801 -3.205 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.132 -2.493 7.794 1.00 0.00 H new ATOM 1476 N MET A 91 11.771 -2.244 5.835 1.00 0.00 N ATOM 1477 CA MET A 91 11.287 -1.381 4.758 1.00 0.00 C ATOM 1478 C MET A 91 9.756 -1.334 4.738 1.00 0.00 C ATOM 1479 O MET A 91 9.163 -0.259 4.640 1.00 0.00 O ATOM 1480 CB MET A 91 11.818 -1.880 3.406 1.00 0.00 C ATOM 1481 CG MET A 91 11.643 -0.886 2.270 1.00 0.00 C ATOM 1482 SD MET A 91 12.687 -1.262 0.850 1.00 0.00 S ATOM 1483 CE MET A 91 13.923 0.028 0.987 1.00 0.00 C ATOM 0 H MET A 91 12.328 -3.037 5.516 1.00 0.00 H new ATOM 0 HA MET A 91 11.656 -0.371 4.937 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.877 -2.117 3.508 1.00 0.00 H new ATOM 0 HB3 MET A 91 11.307 -2.807 3.146 1.00 0.00 H new ATOM 0 HG2 MET A 91 10.599 -0.879 1.957 1.00 0.00 H new ATOM 0 HG3 MET A 91 11.874 0.116 2.631 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.644 -0.071 0.175 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.440 1.003 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.439 -0.062 1.943 1.00 0.00 H new ATOM 1493 N ALA A 92 9.124 -2.504 4.841 1.00 0.00 N ATOM 1494 CA ALA A 92 7.664 -2.593 4.842 1.00 0.00 C ATOM 1495 C ALA A 92 7.081 -1.980 6.112 1.00 0.00 C ATOM 1496 O ALA A 92 6.152 -1.173 6.050 1.00 0.00 O ATOM 1497 CB ALA A 92 7.219 -4.043 4.694 1.00 0.00 C ATOM 0 H ALA A 92 9.600 -3.402 4.925 1.00 0.00 H new ATOM 0 HA ALA A 92 7.288 -2.026 3.990 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.130 -4.091 4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.598 -4.446 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.610 -4.630 5.525 1.00 0.00 H new ATOM 1503 N ARG A 93 7.636 -2.361 7.264 1.00 0.00 N ATOM 1504 CA ARG A 93 7.173 -1.840 8.549 1.00 0.00 C ATOM 1505 C ARG A 93 7.281 -0.314 8.593 1.00 0.00 C ATOM 1506 O ARG A 93 6.412 0.358 9.149 1.00 0.00 O ATOM 1507 CB ARG A 93 7.972 -2.459 9.702 1.00 0.00 C ATOM 1508 CG ARG A 93 7.136 -2.744 10.942 1.00 0.00 C ATOM 1509 CD ARG A 93 8.002 -2.868 12.188 1.00 0.00 C ATOM 1510 NE ARG A 93 7.283 -3.495 13.299 1.00 0.00 N ATOM 1511 CZ ARG A 93 7.677 -3.434 14.576 1.00 0.00 C ATOM 1512 NH1 ARG A 93 8.787 -2.780 14.912 1.00 0.00 N ATOM 1513 NH2 ARG A 93 6.959 -4.032 15.521 1.00 0.00 N ATOM 0 H ARG A 93 8.405 -3.027 7.332 1.00 0.00 H new ATOM 0 HA ARG A 93 6.124 -2.114 8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.426 -3.389 9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.786 -1.786 9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.409 -1.944 11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.572 -3.666 10.797 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.890 -3.455 11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.344 -1.878 12.491 1.00 0.00 H new ATOM 0 HE ARG A 93 6.429 -4.010 13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.345 -2.320 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.079 -2.739 15.888 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.108 -4.537 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.259 -3.986 16.495 1.00 0.00 H new ATOM 1527 N LYS A 94 8.348 0.228 7.998 1.00 0.00 N ATOM 1528 CA LYS A 94 8.560 1.674 7.967 1.00 0.00 C ATOM 1529 C LYS A 94 7.456 2.375 7.169 1.00 0.00 C ATOM 1530 O LYS A 94 6.984 3.442 7.562 1.00 0.00 O ATOM 1531 CB LYS A 94 9.933 1.999 7.366 1.00 0.00 C ATOM 1532 CG LYS A 94 11.075 1.940 8.373 1.00 0.00 C ATOM 1533 CD LYS A 94 12.427 2.143 7.703 1.00 0.00 C ATOM 1534 CE LYS A 94 13.572 1.942 8.686 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.755 1.298 8.045 1.00 0.00 N ATOM 0 H LYS A 94 9.076 -0.314 7.533 1.00 0.00 H new ATOM 0 HA LYS A 94 8.526 2.042 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.139 1.300 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.900 2.996 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.928 2.705 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.062 0.976 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.532 1.444 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.479 3.147 7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.865 2.906 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.231 1.326 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.511 1.180 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.483 0.367 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.098 1.897 7.267 1.00 0.00 H new ATOM 1549 N LEU A 95 7.045 1.769 6.052 1.00 0.00 N ATOM 1550 CA LEU A 95 5.992 2.342 5.211 1.00 0.00 C ATOM 1551 C LEU A 95 4.641 2.316 5.929 1.00 0.00 C ATOM 1552 O LEU A 95 3.861 3.265 5.828 1.00 0.00 O ATOM 1553 CB LEU A 95 5.893 1.589 3.879 1.00 0.00 C ATOM 1554 CG LEU A 95 5.080 2.294 2.786 1.00 0.00 C ATOM 1555 CD1 LEU A 95 5.879 3.435 2.169 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.650 1.298 1.715 1.00 0.00 C ATOM 0 H LEU A 95 7.424 0.886 5.710 1.00 0.00 H new ATOM 0 HA LEU A 95 6.256 3.380 5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.901 1.415 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.449 0.611 4.065 1.00 0.00 H new ATOM 0 HG LEU A 95 4.185 2.716 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.283 3.921 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.133 4.161 2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.794 3.041 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.074 1.815 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.533 0.846 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.035 0.520 2.167 1.00 0.00 H new ATOM 1568 N GLN A 96 4.371 1.227 6.656 1.00 0.00 N ATOM 1569 CA GLN A 96 3.113 1.085 7.392 1.00 0.00 C ATOM 1570 C GLN A 96 2.900 2.252 8.357 1.00 0.00 C ATOM 1571 O GLN A 96 1.784 2.755 8.493 1.00 0.00 O ATOM 1572 CB GLN A 96 3.088 -0.235 8.171 1.00 0.00 C ATOM 1573 CG GLN A 96 1.730 -0.917 8.163 1.00 0.00 C ATOM 1574 CD GLN A 96 1.680 -2.138 9.063 1.00 0.00 C ATOM 1575 OE1 GLN A 96 1.722 -3.273 8.590 1.00 0.00 O ATOM 1576 NE2 GLN A 96 1.588 -1.909 10.368 1.00 0.00 N ATOM 0 H GLN A 96 5.005 0.434 6.750 1.00 0.00 H new ATOM 0 HA GLN A 96 2.305 1.086 6.661 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.829 -0.913 7.746 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.384 -0.045 9.203 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.969 -0.205 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.483 -1.212 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.556 -0.951 10.717 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.549 -2.691 11.022 1.00 0.00 H new ATOM 1585 N ASP A 97 3.975 2.675 9.027 1.00 0.00 N ATOM 1586 CA ASP A 97 3.903 3.779 9.984 1.00 0.00 C ATOM 1587 C ASP A 97 3.380 5.054 9.327 1.00 0.00 C ATOM 1588 O ASP A 97 2.563 5.770 9.909 1.00 0.00 O ATOM 1589 CB ASP A 97 5.281 4.046 10.599 1.00 0.00 C ATOM 1590 CG ASP A 97 5.542 3.201 11.830 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.799 3.350 12.824 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.492 2.390 11.801 1.00 0.00 O ATOM 0 H ASP A 97 4.905 2.269 8.924 1.00 0.00 H new ATOM 0 HA ASP A 97 3.206 3.486 10.770 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.052 3.846 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.359 5.101 10.863 1.00 0.00 H new ATOM 1597 N VAL A 98 3.848 5.331 8.111 1.00 0.00 N ATOM 1598 CA VAL A 98 3.419 6.522 7.385 1.00 0.00 C ATOM 1599 C VAL A 98 1.920 6.471 7.090 1.00 0.00 C ATOM 1600 O VAL A 98 1.215 7.469 7.256 1.00 0.00 O ATOM 1601 CB VAL A 98 4.192 6.703 6.060 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.858 8.048 5.431 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.694 6.571 6.283 1.00 0.00 C ATOM 0 H VAL A 98 4.521 4.750 7.611 1.00 0.00 H new ATOM 0 HA VAL A 98 3.636 7.374 8.029 1.00 0.00 H new ATOM 0 HB VAL A 98 3.884 5.914 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.410 8.161 4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.788 8.099 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.136 8.849 6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.216 6.702 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.025 7.333 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.917 5.583 6.686 1.00 0.00 H new ATOM 1613 N PHE A 99 1.438 5.305 6.661 1.00 0.00 N ATOM 1614 CA PHE A 99 0.021 5.128 6.353 1.00 0.00 C ATOM 1615 C PHE A 99 -0.820 5.164 7.629 1.00 0.00 C ATOM 1616 O PHE A 99 -1.896 5.766 7.653 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.206 3.809 5.609 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.206 3.914 4.491 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -2.566 3.866 4.752 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -0.783 4.060 3.179 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -3.485 3.962 3.726 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -1.698 4.157 2.149 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.051 4.108 2.423 1.00 0.00 C ATOM 0 H PHE A 99 2.008 4.471 6.519 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.291 5.951 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.744 3.462 5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.545 3.054 6.319 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.911 3.752 5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.274 4.098 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.542 3.923 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.356 4.271 1.131 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.769 4.184 1.619 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.321 4.521 8.688 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.025 4.484 9.971 1.00 0.00 C ATOM 1635 C GLU A 100 -1.248 5.892 10.516 1.00 0.00 C ATOM 1636 O GLU A 100 -2.330 6.207 11.011 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.250 3.650 10.996 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.909 2.315 11.315 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.112 1.127 10.807 1.00 0.00 C ATOM 1640 OE1 GLU A 100 1.068 0.991 11.191 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -0.673 0.328 10.029 1.00 0.00 O ATOM 0 H GLU A 100 0.567 4.020 8.682 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.995 4.018 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.756 3.469 10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.147 4.224 11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.036 2.227 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.906 2.293 10.874 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.219 6.737 10.425 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.314 8.111 10.914 1.00 0.00 C ATOM 1650 C PHE A 101 -1.426 8.875 10.193 1.00 0.00 C ATOM 1651 O PHE A 101 -2.152 9.654 10.810 1.00 0.00 O ATOM 1652 CB PHE A 101 1.021 8.838 10.731 1.00 0.00 C ATOM 1653 CG PHE A 101 1.826 8.953 11.997 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.603 9.996 12.883 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.803 8.018 12.301 1.00 0.00 C ATOM 1656 CE1 PHE A 101 2.340 10.104 14.047 1.00 0.00 C ATOM 1657 CE2 PHE A 101 3.543 8.122 13.464 1.00 0.00 C ATOM 1658 CZ PHE A 101 3.311 9.166 14.338 1.00 0.00 C ATOM 0 H PHE A 101 0.685 6.494 10.019 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.555 8.072 11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.612 8.311 9.982 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.830 9.838 10.341 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.845 10.732 12.661 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.988 7.199 11.622 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.157 10.921 14.729 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.302 7.387 13.689 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.888 9.249 15.247 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.565 8.638 8.887 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.601 9.301 8.095 1.00 0.00 C ATOM 1670 C ARG A 102 -3.977 8.701 8.388 1.00 0.00 C ATOM 1671 O ARG A 102 -4.982 9.412 8.383 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.293 9.190 6.597 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.651 10.437 6.006 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.179 10.538 6.373 1.00 0.00 C ATOM 1675 NE ARG A 102 0.389 11.833 6.003 1.00 0.00 N ATOM 1676 CZ ARG A 102 0.172 12.966 6.680 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -0.613 12.970 7.757 1.00 0.00 N ATOM 1678 NH2 ARG A 102 0.737 14.099 6.278 1.00 0.00 N ATOM 0 H ARG A 102 -0.976 7.995 8.358 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.612 10.354 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.630 8.340 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.218 8.980 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.756 10.421 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.177 11.322 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.061 10.383 7.446 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.375 9.743 5.874 1.00 0.00 H new ATOM 0 HE ARG A 102 0.987 11.875 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.053 12.105 8.070 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.774 13.838 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.337 14.105 5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.571 14.963 6.794 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.016 7.391 8.644 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.272 6.701 8.942 1.00 0.00 C ATOM 1694 C TYR A 103 -5.907 7.206 10.247 1.00 0.00 C ATOM 1695 O TYR A 103 -7.092 6.976 10.488 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.050 5.188 9.024 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.114 4.378 8.308 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -7.446 4.442 8.703 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -5.787 3.554 7.239 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -8.419 3.708 8.055 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -6.756 2.816 6.584 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.071 2.897 6.996 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.042 2.164 6.349 1.00 0.00 O ATOM 0 H TYR A 103 -3.193 6.788 8.651 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.960 6.920 8.126 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.075 4.949 8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.022 4.890 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -7.724 5.077 9.531 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -4.759 3.488 6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -9.448 3.769 8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.485 2.180 5.754 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.075 2.426 5.405 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.122 7.889 11.088 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.634 8.412 12.356 1.00 0.00 C ATOM 1715 C ALA A 104 -6.532 9.628 12.130 1.00 0.00 C ATOM 1716 O ALA A 104 -7.673 9.658 12.591 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.486 8.763 13.293 1.00 0.00 C ATOM 0 H ALA A 104 -4.137 8.090 10.914 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.236 7.632 12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.886 9.150 14.230 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.893 7.870 13.493 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.855 9.520 12.828 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.011 10.629 11.415 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.773 11.848 11.124 1.00 0.00 C ATOM 1725 C LYS A 105 -7.716 11.655 9.927 1.00 0.00 C ATOM 1726 O LYS A 105 -8.561 12.509 9.657 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.821 13.023 10.857 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.743 14.020 12.005 1.00 0.00 C ATOM 1729 CD LYS A 105 -6.785 15.123 11.869 1.00 0.00 C ATOM 1730 CE LYS A 105 -7.139 15.731 13.220 1.00 0.00 C ATOM 1731 NZ LYS A 105 -5.948 16.304 13.913 1.00 0.00 N ATOM 0 H LYS A 105 -5.067 10.620 11.028 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.383 12.070 12.000 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.823 12.633 10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.145 13.544 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.888 13.498 12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.747 14.462 12.035 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.407 15.902 11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.684 14.719 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.886 16.513 13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.592 14.967 13.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.256 16.823 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.306 15.535 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.451 16.953 13.270 1.00 0.00 H new ATOM 1745 N MET A 106 -7.565 10.534 9.211 1.00 0.00 N ATOM 1746 CA MET A 106 -8.400 10.236 8.043 1.00 0.00 C ATOM 1747 C MET A 106 -9.894 10.256 8.386 1.00 0.00 C ATOM 1748 O MET A 106 -10.658 11.025 7.798 1.00 0.00 O ATOM 1749 CB MET A 106 -8.026 8.872 7.450 1.00 0.00 C ATOM 1750 CG MET A 106 -7.671 8.925 5.975 1.00 0.00 C ATOM 1751 SD MET A 106 -7.083 7.339 5.347 1.00 0.00 S ATOM 1752 CE MET A 106 -8.625 6.446 5.168 1.00 0.00 C ATOM 0 H MET A 106 -6.870 9.817 9.422 1.00 0.00 H new ATOM 0 HA MET A 106 -8.213 11.018 7.307 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.180 8.464 8.004 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.860 8.184 7.590 1.00 0.00 H new ATOM 0 HG2 MET A 106 -8.547 9.235 5.405 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.903 9.682 5.817 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.617 5.573 5.820 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.456 7.096 5.442 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.742 6.125 4.133 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.336 9.408 9.338 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.746 9.340 9.741 1.00 0.00 C ATOM 1764 C PRO A 107 -12.265 10.678 10.261 1.00 0.00 C ATOM 1765 O PRO A 107 -11.730 11.225 11.227 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.760 8.285 10.856 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.345 8.177 11.308 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.510 8.454 10.094 1.00 0.00 C ATOM 0 HA PRO A 107 -12.394 9.090 8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.413 8.586 11.675 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.130 7.328 10.488 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.132 8.893 12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.136 7.185 11.709 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.542 8.879 10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.315 7.547 9.522 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.312 11.192 9.608 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.930 12.466 9.981 1.00 0.00 C ATOM 1778 C ASP A 108 -12.996 13.644 9.709 1.00 0.00 C ATOM 1779 O ASP A 108 -11.775 13.520 9.816 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.349 12.469 11.456 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.126 11.229 11.853 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -16.348 11.188 11.597 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -14.514 10.299 12.419 1.00 0.00 O ATOM 0 H ASP A 108 -13.753 10.737 8.808 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.820 12.580 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.459 12.549 12.081 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.958 13.351 11.653 1.00 0.00 H new TER 1788 ASP A 108