USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1088 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: B 120 SER OG : rot 180:sc= 0.748 USER MOD Set 1.2: B 123 THR OG1 : rot 83:sc= 0.842 USER MOD Set 2.1: B 88 CYS SG : rot 105:sc= 0.658 USER MOD Set 2.2: B 133 LYS NZ :NH3+ -160:sc= 0.432 (180deg=0.099) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.214 USER MOD Set 3.2: A 57 THR OG1 : rot 94:sc= 0.193 USER MOD Set 4.1: A 1 MET CE :methyl 173:sc=-0.000451 (180deg=-0.0776) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.58) USER MOD Set 5.1: A 25 GLN : amide:sc= -0.549 K(o=0.35,f=-8.7!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 144:sc= 0.9 (180deg=0) USER MOD Set 6.1: A 7 THR OG1 : rot -81:sc= 0.749 USER MOD Set 6.2: A 45 THR OG1 : rot 180:sc= 0.661 USER MOD Set 7.1: A 4 ASN : amide:sc= 0.0921 X(o=0.19,f=0) USER MOD Set 7.2: A 48 TYR OH : rot 80:sc= 0.0944 USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0674 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 9 SER OG : rot -120:sc= 1.2 USER MOD Single : A 13 MET CE :methyl 147:sc= -0.39 (180deg=-0.518) USER MOD Single : A 14 THR OG1 : rot -30:sc= 0.175 USER MOD Single : A 16 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.33) USER MOD Single : A 17 SER OG : rot 60:sc= 1.02 USER MOD Single : A 21 THR OG1 : rot 76:sc= 0.373 USER MOD Single : A 24 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.12) USER MOD Single : A 30 ASN : amide:sc= -0.011 K(o=-0.011,f=-0.83) USER MOD Single : A 34 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc=-0.00629 (180deg=-0.141) USER MOD Single : A 43 ASN : amide:sc= 0.113 X(o=0.11,f=-0.0026) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.38 K(o=-1.4,f=-8.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 65 MET CE :methyl -114:sc= -0.0265 (180deg=-0.389) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 HIS : no HE2:sc= 0.165 K(o=0.16,f=-4.1!) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl -177:sc= 0 (180deg=-0.0102) USER MOD Single : B 84 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot -62:sc= 1.27 USER MOD Single : B 97 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 98 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.18) USER MOD Single : B 103 LYS NZ :NH3+ -110:sc= 1.04 (180deg=-0.0479) USER MOD Single : B 104 TYR OH : rot 150:sc= 0 USER MOD Single : B 110 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.314) USER MOD Single : B 114 CYS SG : rot -90:sc= 0.899 USER MOD Single : B 117 SER OG : rot 170:sc= 0.226 USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 127 THR OG1 : rot 81:sc= 1.27 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot -70:sc= 1.4 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.748 -5.561 31.098 1.00 0.00 N ATOM 2 CA MET A 1 -5.754 -5.484 29.625 1.00 0.00 C ATOM 3 C MET A 1 -5.972 -6.872 29.034 1.00 0.00 C ATOM 4 O MET A 1 -5.567 -7.867 29.639 1.00 0.00 O ATOM 5 CB MET A 1 -4.458 -4.838 29.112 1.00 0.00 C ATOM 6 CG MET A 1 -4.526 -4.396 27.646 1.00 0.00 C ATOM 7 SD MET A 1 -3.102 -3.438 27.061 1.00 0.00 S ATOM 8 CE MET A 1 -1.748 -4.623 27.293 1.00 0.00 C ATOM 0 H1 MET A 1 -4.937 -5.027 31.470 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.630 -5.155 31.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.672 -6.555 31.393 1.00 0.00 H new ATOM 0 HA MET A 1 -6.579 -4.849 29.301 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.224 -3.973 29.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.638 -5.546 29.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.629 -5.283 27.020 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.427 -3.800 27.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.833 -4.219 26.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.599 -4.801 28.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.998 -5.562 26.799 1.00 0.00 H new ATOM 20 N GLY A 2 -6.610 -6.948 27.862 1.00 0.00 N ATOM 21 CA GLY A 2 -6.885 -8.191 27.128 1.00 0.00 C ATOM 22 C GLY A 2 -6.117 -8.311 25.810 1.00 0.00 C ATOM 23 O GLY A 2 -5.258 -7.484 25.497 1.00 0.00 O ATOM 0 H GLY A 2 -6.961 -6.120 27.381 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -6.634 -9.040 27.763 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.954 -8.252 26.922 1.00 0.00 H new ATOM 27 N VAL A 3 -6.444 -9.347 25.038 1.00 0.00 N ATOM 28 CA VAL A 3 -5.966 -9.579 23.660 1.00 0.00 C ATOM 29 C VAL A 3 -7.051 -10.259 22.826 1.00 0.00 C ATOM 30 O VAL A 3 -7.797 -11.105 23.324 1.00 0.00 O ATOM 31 CB VAL A 3 -4.666 -10.427 23.565 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.421 -9.612 23.944 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.705 -11.727 24.386 1.00 0.00 C ATOM 0 H VAL A 3 -7.074 -10.081 25.361 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.731 -8.588 23.272 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.603 -10.715 22.516 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.535 -10.242 23.864 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.323 -8.762 23.269 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.519 -9.253 24.968 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.762 -12.261 24.267 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.856 -11.488 25.439 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.524 -12.355 24.035 1.00 0.00 H new ATOM 43 N ASN A 4 -7.117 -9.906 21.543 1.00 0.00 N ATOM 44 CA ASN A 4 -7.922 -10.590 20.534 1.00 0.00 C ATOM 45 C ASN A 4 -7.062 -10.872 19.286 1.00 0.00 C ATOM 46 O ASN A 4 -6.143 -10.115 18.970 1.00 0.00 O ATOM 47 CB ASN A 4 -9.183 -9.762 20.244 1.00 0.00 C ATOM 48 CG ASN A 4 -10.375 -10.648 19.909 1.00 0.00 C ATOM 49 OD1 ASN A 4 -10.582 -11.051 18.773 1.00 0.00 O ATOM 50 ND2 ASN A 4 -11.186 -10.995 20.891 1.00 0.00 N ATOM 0 H ASN A 4 -6.597 -9.113 21.167 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.261 -11.561 20.896 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.420 -9.145 21.111 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.989 -9.083 19.413 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.986 -11.599 20.703 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.013 -10.659 21.838 1.00 0.00 H new ATOM 57 N SER A 5 -7.305 -11.996 18.612 1.00 0.00 N ATOM 58 CA SER A 5 -6.268 -12.668 17.811 1.00 0.00 C ATOM 59 C SER A 5 -6.891 -13.298 16.551 1.00 0.00 C ATOM 60 O SER A 5 -7.847 -14.080 16.656 1.00 0.00 O ATOM 61 CB SER A 5 -5.563 -13.718 18.697 1.00 0.00 C ATOM 62 OG SER A 5 -5.065 -13.109 19.883 1.00 0.00 O ATOM 0 H SER A 5 -8.211 -12.465 18.601 1.00 0.00 H new ATOM 0 HA SER A 5 -5.525 -11.947 17.470 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.261 -14.514 18.955 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.744 -14.179 18.145 1.00 0.00 H new ATOM 0 HG SER A 5 -4.622 -13.785 20.437 1.00 0.00 H new ATOM 68 N VAL A 6 -6.414 -12.933 15.351 1.00 0.00 N ATOM 69 CA VAL A 6 -7.193 -13.086 14.098 1.00 0.00 C ATOM 70 C VAL A 6 -6.309 -13.215 12.845 1.00 0.00 C ATOM 71 O VAL A 6 -5.205 -12.671 12.816 1.00 0.00 O ATOM 72 CB VAL A 6 -8.204 -11.911 13.962 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.563 -10.613 13.440 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.409 -12.272 13.083 1.00 0.00 C ATOM 0 H VAL A 6 -5.488 -12.527 15.215 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.739 -14.027 14.167 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.551 -11.730 14.979 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.323 -9.835 13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.779 -10.293 14.126 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.132 -10.791 12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.083 -11.418 13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.064 -12.535 12.083 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.937 -13.120 13.520 1.00 0.00 H new ATOM 84 N THR A 7 -6.814 -13.901 11.804 1.00 0.00 N ATOM 85 CA THR A 7 -6.175 -14.040 10.480 1.00 0.00 C ATOM 86 C THR A 7 -7.090 -13.527 9.365 1.00 0.00 C ATOM 87 O THR A 7 -8.298 -13.761 9.350 1.00 0.00 O ATOM 88 CB THR A 7 -5.748 -15.492 10.207 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.809 -15.894 11.181 1.00 0.00 O ATOM 90 CG2 THR A 7 -5.043 -15.670 8.864 1.00 0.00 C ATOM 0 H THR A 7 -7.707 -14.390 11.862 1.00 0.00 H new ATOM 0 HA THR A 7 -5.275 -13.425 10.491 1.00 0.00 H new ATOM 0 HB THR A 7 -6.666 -16.079 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.922 -15.552 10.941 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.768 -16.717 8.733 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.712 -15.367 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.145 -15.053 8.840 1.00 0.00 H new ATOM 98 N ILE A 8 -6.483 -12.843 8.399 1.00 0.00 N ATOM 99 CA ILE A 8 -7.086 -12.252 7.200 1.00 0.00 C ATOM 100 C ILE A 8 -6.264 -12.712 5.982 1.00 0.00 C ATOM 101 O ILE A 8 -5.049 -12.563 5.974 1.00 0.00 O ATOM 102 CB ILE A 8 -7.081 -10.703 7.366 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.880 -10.274 8.625 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.601 -10.001 6.100 1.00 0.00 C ATOM 105 CD1 ILE A 8 -8.107 -8.762 8.802 1.00 0.00 C ATOM 0 H ILE A 8 -5.478 -12.672 8.434 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.118 -12.570 7.055 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.047 -10.387 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.852 -10.766 8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.358 -10.648 9.506 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.584 -8.921 6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.965 -10.260 5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.623 -10.324 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.676 -8.584 9.715 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.144 -8.255 8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.662 -8.375 7.947 1.00 0.00 H new ATOM 117 N SER A 9 -6.875 -13.243 4.926 1.00 0.00 N ATOM 118 CA SER A 9 -6.183 -13.337 3.634 1.00 0.00 C ATOM 119 C SER A 9 -6.031 -11.927 3.058 1.00 0.00 C ATOM 120 O SER A 9 -7.049 -11.273 2.826 1.00 0.00 O ATOM 121 CB SER A 9 -6.928 -14.212 2.618 1.00 0.00 C ATOM 122 OG SER A 9 -6.067 -14.438 1.510 1.00 0.00 O ATOM 0 H SER A 9 -7.827 -13.609 4.932 1.00 0.00 H new ATOM 0 HA SER A 9 -5.215 -13.805 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.219 -15.159 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.845 -13.720 2.293 1.00 0.00 H new ATOM 0 HG SER A 9 -6.484 -14.088 0.695 1.00 0.00 H new ATOM 128 N VAL A 10 -4.799 -11.467 2.810 1.00 0.00 N ATOM 129 CA VAL A 10 -4.512 -10.293 1.980 1.00 0.00 C ATOM 130 C VAL A 10 -4.133 -10.841 0.603 1.00 0.00 C ATOM 131 O VAL A 10 -2.978 -11.140 0.314 1.00 0.00 O ATOM 132 CB VAL A 10 -3.434 -9.362 2.573 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.173 -8.158 1.647 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.895 -8.821 3.936 1.00 0.00 C ATOM 0 H VAL A 10 -3.960 -11.908 3.187 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.387 -9.646 1.921 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.520 -9.946 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.409 -7.518 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.831 -8.514 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.094 -7.589 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.127 -8.165 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.822 -8.261 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.064 -9.653 4.619 1.00 0.00 H new ATOM 144 N GLU A 11 -5.166 -11.036 -0.207 1.00 0.00 N ATOM 145 CA GLU A 11 -5.171 -11.742 -1.498 1.00 0.00 C ATOM 146 C GLU A 11 -4.111 -11.235 -2.500 1.00 0.00 C ATOM 147 O GLU A 11 -3.583 -12.012 -3.300 1.00 0.00 O ATOM 148 CB GLU A 11 -6.573 -11.577 -2.114 1.00 0.00 C ATOM 149 CG GLU A 11 -7.715 -12.190 -1.285 1.00 0.00 C ATOM 150 CD GLU A 11 -7.844 -13.691 -1.520 1.00 0.00 C ATOM 151 OE1 GLU A 11 -8.462 -14.070 -2.541 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.355 -14.499 -0.695 1.00 0.00 O ATOM 0 H GLU A 11 -6.093 -10.682 0.031 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.920 -12.785 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.772 -10.514 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.576 -12.033 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.537 -12.002 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.654 -11.700 -1.542 1.00 0.00 H new ATOM 159 N GLY A 12 -3.774 -9.940 -2.443 1.00 0.00 N ATOM 160 CA GLY A 12 -2.782 -9.296 -3.320 1.00 0.00 C ATOM 161 C GLY A 12 -1.345 -9.287 -2.781 1.00 0.00 C ATOM 162 O GLY A 12 -0.461 -8.762 -3.459 1.00 0.00 O ATOM 0 H GLY A 12 -4.191 -9.295 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.789 -9.804 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.093 -8.267 -3.500 1.00 0.00 H new ATOM 166 N MET A 13 -1.100 -9.828 -1.580 1.00 0.00 N ATOM 167 CA MET A 13 0.222 -9.862 -0.938 1.00 0.00 C ATOM 168 C MET A 13 1.125 -10.939 -1.552 1.00 0.00 C ATOM 169 O MET A 13 0.701 -12.086 -1.704 1.00 0.00 O ATOM 170 CB MET A 13 0.076 -10.060 0.568 1.00 0.00 C ATOM 171 CG MET A 13 1.414 -9.845 1.291 1.00 0.00 C ATOM 172 SD MET A 13 1.276 -9.641 3.082 1.00 0.00 S ATOM 173 CE MET A 13 0.312 -11.118 3.464 1.00 0.00 C ATOM 0 H MET A 13 -1.830 -10.263 -1.016 1.00 0.00 H new ATOM 0 HA MET A 13 0.705 -8.901 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.667 -9.364 0.958 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.292 -11.066 0.771 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.065 -10.695 1.084 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.900 -8.963 0.874 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.598 -11.495 4.446 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.749 -10.869 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.504 -11.883 2.712 1.00 0.00 H new ATOM 183 N THR A 14 2.379 -10.581 -1.863 1.00 0.00 N ATOM 184 CA THR A 14 3.353 -11.473 -2.523 1.00 0.00 C ATOM 185 C THR A 14 4.821 -11.051 -2.386 1.00 0.00 C ATOM 186 O THR A 14 5.701 -11.875 -2.634 1.00 0.00 O ATOM 187 CB THR A 14 2.923 -11.711 -3.976 1.00 0.00 C ATOM 188 OG1 THR A 14 3.631 -12.791 -4.526 1.00 0.00 O ATOM 189 CG2 THR A 14 3.165 -10.475 -4.821 1.00 0.00 C ATOM 0 H THR A 14 2.753 -9.654 -1.662 1.00 0.00 H new ATOM 0 HA THR A 14 3.330 -12.421 -1.985 1.00 0.00 H new ATOM 0 HB THR A 14 1.857 -11.938 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.515 -12.850 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.852 -10.669 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.591 -9.641 -4.418 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.226 -10.226 -4.806 1.00 0.00 H new ATOM 197 N CYS A 15 5.102 -9.803 -2.003 1.00 0.00 N ATOM 198 CA CYS A 15 6.427 -9.194 -2.033 1.00 0.00 C ATOM 199 C CYS A 15 7.074 -8.977 -0.636 1.00 0.00 C ATOM 200 O CYS A 15 6.414 -8.625 0.350 1.00 0.00 O ATOM 201 CB CYS A 15 6.200 -7.894 -2.804 1.00 0.00 C ATOM 202 SG CYS A 15 7.651 -6.815 -2.821 1.00 0.00 S ATOM 0 H CYS A 15 4.385 -9.169 -1.651 1.00 0.00 H new ATOM 0 HA CYS A 15 7.159 -9.848 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.920 -8.132 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.361 -7.358 -2.361 1.00 0.00 H new ATOM 207 N ASN A 16 8.404 -9.129 -0.593 1.00 0.00 N ATOM 208 CA ASN A 16 9.233 -9.028 0.612 1.00 0.00 C ATOM 209 C ASN A 16 9.468 -7.572 1.103 1.00 0.00 C ATOM 210 O ASN A 16 10.105 -7.364 2.135 1.00 0.00 O ATOM 211 CB ASN A 16 10.537 -9.811 0.370 1.00 0.00 C ATOM 212 CG ASN A 16 11.347 -10.012 1.648 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.821 -10.354 2.699 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.648 -9.792 1.604 1.00 0.00 N ATOM 0 H ASN A 16 8.951 -9.333 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 16 8.691 -9.479 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.298 -10.783 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.145 -9.279 -0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 16 13.213 -9.907 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.088 -9.507 0.729 1.00 0.00 H new ATOM 221 N SER A 17 8.918 -6.553 0.434 1.00 0.00 N ATOM 222 CA SER A 17 8.890 -5.157 0.929 1.00 0.00 C ATOM 223 C SER A 17 7.468 -4.593 1.102 1.00 0.00 C ATOM 224 O SER A 17 7.255 -3.704 1.934 1.00 0.00 O ATOM 225 CB SER A 17 9.783 -4.239 0.079 1.00 0.00 C ATOM 226 OG SER A 17 9.902 -4.654 -1.272 1.00 0.00 O ATOM 0 H SER A 17 8.473 -6.667 -0.477 1.00 0.00 H new ATOM 0 HA SER A 17 9.310 -5.185 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.379 -3.227 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.776 -4.197 0.526 1.00 0.00 H new ATOM 0 HG SER A 17 9.015 -4.670 -1.689 1.00 0.00 H new ATOM 232 N CYS A 18 6.454 -5.188 0.466 1.00 0.00 N ATOM 233 CA CYS A 18 5.069 -5.006 0.860 1.00 0.00 C ATOM 234 C CYS A 18 4.866 -5.428 2.338 1.00 0.00 C ATOM 235 O CYS A 18 4.251 -4.696 3.108 1.00 0.00 O ATOM 236 CB CYS A 18 4.225 -5.801 -0.142 1.00 0.00 C ATOM 237 SG CYS A 18 4.442 -5.079 -1.794 1.00 0.00 S ATOM 0 H CYS A 18 6.579 -5.807 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 18 4.758 -3.962 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.529 -6.848 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.174 -5.775 0.146 1.00 0.00 H new ATOM 242 N VAL A 19 5.463 -6.547 2.767 1.00 0.00 N ATOM 243 CA VAL A 19 5.452 -6.978 4.186 1.00 0.00 C ATOM 244 C VAL A 19 6.073 -5.945 5.150 1.00 0.00 C ATOM 245 O VAL A 19 5.540 -5.740 6.241 1.00 0.00 O ATOM 246 CB VAL A 19 6.110 -8.360 4.406 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.266 -9.462 3.748 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.545 -8.437 3.872 1.00 0.00 C ATOM 0 H VAL A 19 5.968 -7.183 2.149 1.00 0.00 H new ATOM 0 HA VAL A 19 4.392 -7.062 4.427 1.00 0.00 H new ATOM 0 HB VAL A 19 6.156 -8.508 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.741 -10.430 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.269 -9.468 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.189 -9.271 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.949 -9.432 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.545 -8.239 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.162 -7.695 4.378 1.00 0.00 H new ATOM 258 N TRP A 20 7.131 -5.226 4.737 1.00 0.00 N ATOM 259 CA TRP A 20 7.679 -4.096 5.502 1.00 0.00 C ATOM 260 C TRP A 20 6.654 -2.955 5.605 1.00 0.00 C ATOM 261 O TRP A 20 6.422 -2.424 6.695 1.00 0.00 O ATOM 262 CB TRP A 20 8.997 -3.616 4.861 1.00 0.00 C ATOM 263 CG TRP A 20 9.527 -2.326 5.414 1.00 0.00 C ATOM 264 CD1 TRP A 20 10.347 -2.215 6.481 1.00 0.00 C ATOM 265 CD2 TRP A 20 9.241 -0.950 4.994 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.541 -0.882 6.788 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.872 -0.057 5.913 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.497 -0.364 3.947 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.741 1.337 5.822 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.362 1.034 3.842 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.973 1.884 4.780 1.00 0.00 C ATOM 0 H TRP A 20 7.628 -5.412 3.866 1.00 0.00 H new ATOM 0 HA TRP A 20 7.895 -4.429 6.517 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.753 -4.390 4.993 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.843 -3.500 3.788 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.786 -3.045 7.015 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.110 -0.550 7.567 1.00 0.00 H new ATOM 0 HE3 TRP A 20 8.023 -0.999 3.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.224 1.981 6.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.784 1.457 3.034 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.853 2.954 4.700 1.00 0.00 H new ATOM 282 N THR A 21 5.987 -2.638 4.486 1.00 0.00 N ATOM 283 CA THR A 21 4.912 -1.635 4.407 1.00 0.00 C ATOM 284 C THR A 21 3.791 -1.974 5.387 1.00 0.00 C ATOM 285 O THR A 21 3.417 -1.115 6.185 1.00 0.00 O ATOM 286 CB THR A 21 4.391 -1.485 2.969 1.00 0.00 C ATOM 287 OG1 THR A 21 5.483 -1.283 2.097 1.00 0.00 O ATOM 288 CG2 THR A 21 3.447 -0.287 2.844 1.00 0.00 C ATOM 0 H THR A 21 6.184 -3.082 3.589 1.00 0.00 H new ATOM 0 HA THR A 21 5.324 -0.668 4.695 1.00 0.00 H new ATOM 0 HB THR A 21 3.847 -2.394 2.710 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.944 -2.135 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.095 -0.207 1.816 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.595 -0.424 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.978 0.625 3.118 1.00 0.00 H new ATOM 296 N ILE A 22 3.328 -3.233 5.412 1.00 0.00 N ATOM 297 CA ILE A 22 2.341 -3.716 6.399 1.00 0.00 C ATOM 298 C ILE A 22 2.819 -3.442 7.829 1.00 0.00 C ATOM 299 O ILE A 22 2.096 -2.798 8.584 1.00 0.00 O ATOM 300 CB ILE A 22 2.009 -5.226 6.245 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.485 -5.659 4.855 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.978 -5.600 7.330 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.052 -5.240 4.511 1.00 0.00 C ATOM 0 H ILE A 22 3.626 -3.949 4.749 1.00 0.00 H new ATOM 0 HA ILE A 22 1.425 -3.159 6.201 1.00 0.00 H new ATOM 0 HB ILE A 22 2.952 -5.761 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.152 -5.252 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.550 -6.745 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.727 -6.657 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.401 -5.406 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.077 -5.001 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.203 -5.599 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.637 -5.669 5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.025 -4.153 4.535 1.00 0.00 H new ATOM 315 N GLU A 23 4.014 -3.911 8.200 1.00 0.00 N ATOM 316 CA GLU A 23 4.537 -3.818 9.569 1.00 0.00 C ATOM 317 C GLU A 23 4.533 -2.373 10.092 1.00 0.00 C ATOM 318 O GLU A 23 4.198 -2.139 11.257 1.00 0.00 O ATOM 319 CB GLU A 23 5.956 -4.417 9.607 1.00 0.00 C ATOM 320 CG GLU A 23 6.502 -4.588 11.033 1.00 0.00 C ATOM 321 CD GLU A 23 7.929 -5.125 11.024 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.156 -6.281 10.597 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.866 -4.391 11.420 1.00 0.00 O ATOM 0 H GLU A 23 4.654 -4.371 7.552 1.00 0.00 H new ATOM 0 HA GLU A 23 3.882 -4.386 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.948 -5.387 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.630 -3.774 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.476 -3.629 11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.859 -5.269 11.591 1.00 0.00 H new ATOM 330 N GLN A 24 4.886 -1.412 9.230 1.00 0.00 N ATOM 331 CA GLN A 24 4.856 0.016 9.544 1.00 0.00 C ATOM 332 C GLN A 24 3.451 0.642 9.557 1.00 0.00 C ATOM 333 O GLN A 24 3.209 1.505 10.398 1.00 0.00 O ATOM 334 CB GLN A 24 5.809 0.788 8.611 1.00 0.00 C ATOM 335 CG GLN A 24 7.285 0.355 8.706 1.00 0.00 C ATOM 336 CD GLN A 24 7.835 0.361 10.133 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.736 -0.615 10.864 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.394 1.446 10.614 1.00 0.00 N ATOM 0 H GLN A 24 5.205 -1.611 8.282 1.00 0.00 H new ATOM 0 HA GLN A 24 5.204 0.103 10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.472 0.661 7.582 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.740 1.851 8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.388 -0.647 8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.890 1.020 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.489 2.274 10.026 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.733 1.461 11.576 1.00 0.00 H new ATOM 347 N GLN A 25 2.538 0.287 8.638 1.00 0.00 N ATOM 348 CA GLN A 25 1.167 0.839 8.630 1.00 0.00 C ATOM 349 C GLN A 25 0.266 0.254 9.725 1.00 0.00 C ATOM 350 O GLN A 25 -0.550 0.970 10.307 1.00 0.00 O ATOM 351 CB GLN A 25 0.501 0.694 7.246 1.00 0.00 C ATOM 352 CG GLN A 25 1.182 1.474 6.104 1.00 0.00 C ATOM 353 CD GLN A 25 1.763 2.816 6.545 1.00 0.00 C ATOM 354 OE1 GLN A 25 1.060 3.794 6.777 1.00 0.00 O ATOM 355 NE2 GLN A 25 3.059 2.892 6.760 1.00 0.00 N ATOM 0 H GLN A 25 2.722 -0.380 7.889 1.00 0.00 H new ATOM 0 HA GLN A 25 1.281 1.900 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.480 -0.363 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.535 1.025 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.980 0.863 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.457 1.645 5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.655 2.086 6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.467 3.757 7.115 1.00 0.00 H new ATOM 364 N ILE A 26 0.424 -1.033 10.031 1.00 0.00 N ATOM 365 CA ILE A 26 -0.224 -1.693 11.172 1.00 0.00 C ATOM 366 C ILE A 26 0.377 -1.140 12.472 1.00 0.00 C ATOM 367 O ILE A 26 -0.359 -0.639 13.327 1.00 0.00 O ATOM 368 CB ILE A 26 -0.076 -3.225 10.995 1.00 0.00 C ATOM 369 CG1 ILE A 26 -0.845 -3.750 9.755 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.505 -4.023 12.227 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.369 -3.563 9.760 1.00 0.00 C ATOM 0 H ILE A 26 1.015 -1.660 9.486 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.293 -1.486 11.223 1.00 0.00 H new ATOM 0 HB ILE A 26 0.992 -3.382 10.848 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.444 -3.254 8.871 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.633 -4.814 9.648 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.375 -5.088 12.034 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.107 -3.732 13.080 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.553 -3.819 12.446 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.789 -3.971 8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.797 -4.084 10.616 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.605 -2.501 9.827 1.00 0.00 H new ATOM 383 N GLY A 27 1.713 -1.083 12.559 1.00 0.00 N ATOM 384 CA GLY A 27 2.478 -0.454 13.647 1.00 0.00 C ATOM 385 C GLY A 27 2.256 1.053 13.833 1.00 0.00 C ATOM 386 O GLY A 27 2.854 1.636 14.737 1.00 0.00 O ATOM 0 H GLY A 27 2.316 -1.490 11.844 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.227 -0.957 14.581 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.539 -0.627 13.467 1.00 0.00 H new ATOM 390 N LYS A 28 1.390 1.683 13.031 1.00 0.00 N ATOM 391 CA LYS A 28 0.878 3.050 13.206 1.00 0.00 C ATOM 392 C LYS A 28 -0.458 3.100 13.973 1.00 0.00 C ATOM 393 O LYS A 28 -0.852 4.178 14.422 1.00 0.00 O ATOM 394 CB LYS A 28 0.771 3.676 11.803 1.00 0.00 C ATOM 395 CG LYS A 28 0.601 5.202 11.794 1.00 0.00 C ATOM 396 CD LYS A 28 0.478 5.754 10.369 1.00 0.00 C ATOM 397 CE LYS A 28 1.798 5.620 9.600 1.00 0.00 C ATOM 398 NZ LYS A 28 1.699 6.200 8.243 1.00 0.00 N ATOM 0 H LYS A 28 1.007 1.232 12.200 1.00 0.00 H new ATOM 0 HA LYS A 28 1.565 3.624 13.828 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.666 3.420 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.075 3.226 11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.287 5.472 12.366 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.453 5.665 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.310 5.220 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.183 6.803 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.594 6.119 10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.072 4.568 9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.603 6.649 7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.483 5.447 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.942 6.912 8.224 1.00 0.00 H new ATOM 412 N VAL A 29 -1.133 1.963 14.176 1.00 0.00 N ATOM 413 CA VAL A 29 -2.277 1.873 15.094 1.00 0.00 C ATOM 414 C VAL A 29 -1.784 1.332 16.435 1.00 0.00 C ATOM 415 O VAL A 29 -1.542 0.139 16.600 1.00 0.00 O ATOM 416 CB VAL A 29 -3.447 1.031 14.552 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.669 1.195 15.474 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.831 1.442 13.123 1.00 0.00 C ATOM 0 H VAL A 29 -0.905 1.084 13.712 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.685 2.877 15.212 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.126 -0.010 14.529 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.497 0.599 15.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.414 0.858 16.479 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.962 2.244 15.507 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.660 0.824 12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.131 2.490 13.114 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.975 1.304 12.462 1.00 0.00 H new ATOM 428 N ASN A 30 -1.654 2.241 17.396 1.00 0.00 N ATOM 429 CA ASN A 30 -1.131 2.034 18.758 1.00 0.00 C ATOM 430 C ASN A 30 -1.584 0.716 19.436 1.00 0.00 C ATOM 431 O ASN A 30 -0.789 0.050 20.102 1.00 0.00 O ATOM 432 CB ASN A 30 -1.549 3.260 19.590 1.00 0.00 C ATOM 433 CG ASN A 30 -0.738 3.460 20.862 1.00 0.00 C ATOM 434 OD1 ASN A 30 -0.512 2.545 21.645 1.00 0.00 O ATOM 435 ND2 ASN A 30 -0.280 4.671 21.103 1.00 0.00 N ATOM 0 H ASN A 30 -1.928 3.211 17.241 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.048 1.932 18.695 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.458 4.153 18.971 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.602 3.162 19.856 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.266 4.851 21.945 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.471 5.429 20.447 1.00 0.00 H new ATOM 442 N GLY A 31 -2.837 0.291 19.209 1.00 0.00 N ATOM 443 CA GLY A 31 -3.429 -0.930 19.778 1.00 0.00 C ATOM 444 C GLY A 31 -2.924 -2.267 19.224 1.00 0.00 C ATOM 445 O GLY A 31 -3.341 -3.299 19.736 1.00 0.00 O ATOM 0 H GLY A 31 -3.484 0.801 18.608 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.256 -0.921 20.854 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.508 -0.886 19.628 1.00 0.00 H new ATOM 449 N VAL A 32 -2.079 -2.300 18.192 1.00 0.00 N ATOM 450 CA VAL A 32 -1.491 -3.566 17.692 1.00 0.00 C ATOM 451 C VAL A 32 -0.409 -4.100 18.641 1.00 0.00 C ATOM 452 O VAL A 32 0.477 -3.355 19.058 1.00 0.00 O ATOM 453 CB VAL A 32 -0.953 -3.455 16.249 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.088 -2.952 15.340 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.324 -2.613 16.097 1.00 0.00 C ATOM 0 H VAL A 32 -1.780 -1.470 17.679 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.309 -4.286 17.666 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.636 -4.452 15.945 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.724 -2.868 14.316 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.920 -3.656 15.373 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.426 -1.975 15.686 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.625 -2.594 15.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.132 -1.596 16.438 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.122 -3.052 16.695 1.00 0.00 H new ATOM 465 N HIS A 33 -0.462 -5.394 18.976 1.00 0.00 N ATOM 466 CA HIS A 33 0.444 -6.017 19.952 1.00 0.00 C ATOM 467 C HIS A 33 1.462 -6.993 19.315 1.00 0.00 C ATOM 468 O HIS A 33 2.594 -7.074 19.801 1.00 0.00 O ATOM 469 CB HIS A 33 -0.410 -6.689 21.044 1.00 0.00 C ATOM 470 CG HIS A 33 -1.084 -5.740 22.018 1.00 0.00 C ATOM 471 ND1 HIS A 33 -2.049 -6.089 22.937 1.00 0.00 N ATOM 472 CD2 HIS A 33 -0.798 -4.414 22.238 1.00 0.00 C ATOM 473 CE1 HIS A 33 -2.327 -5.012 23.688 1.00 0.00 C ATOM 474 NE2 HIS A 33 -1.586 -3.958 23.303 1.00 0.00 N ATOM 0 H HIS A 33 -1.139 -6.044 18.576 1.00 0.00 H new ATOM 0 HA HIS A 33 1.065 -5.239 20.396 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.178 -7.293 20.561 1.00 0.00 H new ATOM 0 HB3 HIS A 33 0.224 -7.372 21.609 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.085 -3.822 21.683 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.048 -4.994 24.492 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.596 -3.020 23.704 1.00 0.00 H new ATOM 482 N HIS A 34 1.125 -7.690 18.223 1.00 0.00 N ATOM 483 CA HIS A 34 2.082 -8.448 17.393 1.00 0.00 C ATOM 484 C HIS A 34 1.537 -8.635 15.962 1.00 0.00 C ATOM 485 O HIS A 34 0.395 -9.074 15.812 1.00 0.00 O ATOM 486 CB HIS A 34 2.383 -9.810 18.047 1.00 0.00 C ATOM 487 CG HIS A 34 3.496 -10.576 17.371 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.815 -10.606 17.762 1.00 0.00 N ATOM 489 CD2 HIS A 34 3.390 -11.384 16.268 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.490 -11.395 16.912 1.00 0.00 C ATOM 491 NE2 HIS A 34 4.661 -11.904 15.981 1.00 0.00 N ATOM 0 H HIS A 34 0.165 -7.747 17.882 1.00 0.00 H new ATOM 0 HA HIS A 34 3.011 -7.881 17.325 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.647 -9.651 19.093 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.477 -10.417 18.036 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.484 -11.585 15.715 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.550 -11.594 16.967 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.907 -12.539 15.221 1.00 0.00 H new ATOM 499 N ILE A 35 2.333 -8.333 14.924 1.00 0.00 N ATOM 500 CA ILE A 35 1.973 -8.473 13.494 1.00 0.00 C ATOM 501 C ILE A 35 2.758 -9.616 12.834 1.00 0.00 C ATOM 502 O ILE A 35 3.969 -9.764 13.016 1.00 0.00 O ATOM 503 CB ILE A 35 2.105 -7.119 12.723 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.856 -7.208 11.195 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.404 -6.353 13.035 1.00 0.00 C ATOM 506 CD1 ILE A 35 3.056 -7.543 10.293 1.00 0.00 C ATOM 0 H ILE A 35 3.278 -7.972 15.056 1.00 0.00 H new ATOM 0 HA ILE A 35 0.919 -8.745 13.440 1.00 0.00 H new ATOM 0 HB ILE A 35 1.279 -6.531 13.123 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.087 -7.962 11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.445 -6.253 10.866 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.425 -5.425 12.464 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.445 -6.125 14.100 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.263 -6.966 12.762 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.732 -7.571 9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.825 -6.780 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.462 -8.515 10.573 1.00 0.00 H new ATOM 518 N LYS A 36 2.062 -10.414 12.027 1.00 0.00 N ATOM 519 CA LYS A 36 2.609 -11.500 11.205 1.00 0.00 C ATOM 520 C LYS A 36 2.042 -11.432 9.771 1.00 0.00 C ATOM 521 O LYS A 36 0.854 -11.175 9.589 1.00 0.00 O ATOM 522 CB LYS A 36 2.244 -12.813 11.918 1.00 0.00 C ATOM 523 CG LYS A 36 2.727 -14.071 11.191 1.00 0.00 C ATOM 524 CD LYS A 36 2.362 -15.326 11.982 1.00 0.00 C ATOM 525 CE LYS A 36 2.903 -16.574 11.281 1.00 0.00 C ATOM 526 NZ LYS A 36 2.413 -17.790 11.957 1.00 0.00 N ATOM 0 H LYS A 36 1.052 -10.319 11.921 1.00 0.00 H new ATOM 0 HA LYS A 36 3.691 -11.423 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.669 -12.800 12.922 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.161 -12.864 12.031 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.279 -14.118 10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.807 -14.024 11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.772 -15.261 12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.279 -15.398 12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.590 -16.578 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.993 -16.560 11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.787 -18.631 11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.733 -17.790 12.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.374 -17.808 11.929 1.00 0.00 H new ATOM 540 N VAL A 37 2.857 -11.684 8.745 1.00 0.00 N ATOM 541 CA VAL A 37 2.432 -11.659 7.334 1.00 0.00 C ATOM 542 C VAL A 37 3.132 -12.753 6.532 1.00 0.00 C ATOM 543 O VAL A 37 4.326 -12.700 6.255 1.00 0.00 O ATOM 544 CB VAL A 37 2.619 -10.281 6.655 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.418 -9.370 6.936 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.912 -9.544 7.048 1.00 0.00 C ATOM 0 H VAL A 37 3.843 -11.914 8.866 1.00 0.00 H new ATOM 0 HA VAL A 37 1.359 -11.853 7.342 1.00 0.00 H new ATOM 0 HB VAL A 37 2.697 -10.502 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.570 -8.407 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.511 -9.833 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.318 -9.222 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.960 -8.589 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.919 -9.370 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.775 -10.151 6.773 1.00 0.00 H new ATOM 556 N SER A 38 2.349 -13.760 6.157 1.00 0.00 N ATOM 557 CA SER A 38 2.789 -14.932 5.405 1.00 0.00 C ATOM 558 C SER A 38 2.577 -14.693 3.901 1.00 0.00 C ATOM 559 O SER A 38 1.630 -15.205 3.301 1.00 0.00 O ATOM 560 CB SER A 38 2.043 -16.183 5.901 1.00 0.00 C ATOM 561 OG SER A 38 2.176 -16.359 7.308 1.00 0.00 O ATOM 0 H SER A 38 1.353 -13.784 6.376 1.00 0.00 H new ATOM 0 HA SER A 38 3.854 -15.099 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.987 -16.101 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.429 -17.063 5.387 1.00 0.00 H new ATOM 0 HG SER A 38 1.687 -17.162 7.585 1.00 0.00 H new ATOM 567 N LEU A 39 3.445 -13.881 3.284 1.00 0.00 N ATOM 568 CA LEU A 39 3.360 -13.464 1.877 1.00 0.00 C ATOM 569 C LEU A 39 3.275 -14.609 0.854 1.00 0.00 C ATOM 570 O LEU A 39 2.601 -14.456 -0.166 1.00 0.00 O ATOM 571 CB LEU A 39 4.528 -12.511 1.545 1.00 0.00 C ATOM 572 CG LEU A 39 5.935 -13.149 1.451 1.00 0.00 C ATOM 573 CD1 LEU A 39 6.909 -12.151 0.811 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.524 -13.570 2.804 1.00 0.00 C ATOM 0 H LEU A 39 4.252 -13.483 3.765 1.00 0.00 H new ATOM 0 HA LEU A 39 2.405 -12.947 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.311 -12.023 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.558 -11.730 2.305 1.00 0.00 H new ATOM 0 HG LEU A 39 5.810 -14.050 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.900 -12.601 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.560 -11.893 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.960 -11.250 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.510 -14.008 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.611 -12.697 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.870 -14.305 3.273 1.00 0.00 H new ATOM 586 N GLU A 40 3.906 -15.758 1.117 1.00 0.00 N ATOM 587 CA GLU A 40 3.827 -16.920 0.224 1.00 0.00 C ATOM 588 C GLU A 40 2.476 -17.638 0.359 1.00 0.00 C ATOM 589 O GLU A 40 2.081 -18.356 -0.555 1.00 0.00 O ATOM 590 CB GLU A 40 4.968 -17.915 0.504 1.00 0.00 C ATOM 591 CG GLU A 40 6.366 -17.357 0.207 1.00 0.00 C ATOM 592 CD GLU A 40 7.433 -18.413 0.485 1.00 0.00 C ATOM 593 OE1 GLU A 40 7.846 -18.554 1.661 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.851 -19.130 -0.457 1.00 0.00 O ATOM 0 H GLU A 40 4.481 -15.909 1.946 1.00 0.00 H new ATOM 0 HA GLU A 40 3.925 -16.546 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.923 -18.219 1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.810 -18.812 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.423 -17.039 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.550 -16.475 0.821 1.00 0.00 H new ATOM 601 N GLU A 41 1.764 -17.430 1.472 1.00 0.00 N ATOM 602 CA GLU A 41 0.446 -18.019 1.776 1.00 0.00 C ATOM 603 C GLU A 41 -0.719 -17.001 1.668 1.00 0.00 C ATOM 604 O GLU A 41 -1.869 -17.345 1.959 1.00 0.00 O ATOM 605 CB GLU A 41 0.450 -18.636 3.192 1.00 0.00 C ATOM 606 CG GLU A 41 1.530 -19.691 3.473 1.00 0.00 C ATOM 607 CD GLU A 41 1.353 -20.414 4.819 1.00 0.00 C ATOM 608 OE1 GLU A 41 0.495 -20.029 5.651 1.00 0.00 O ATOM 609 OE2 GLU A 41 2.063 -21.416 5.074 1.00 0.00 O ATOM 0 H GLU A 41 2.100 -16.822 2.219 1.00 0.00 H new ATOM 0 HA GLU A 41 0.276 -18.789 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.564 -17.829 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.525 -19.089 3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.522 -20.429 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.508 -19.211 3.455 1.00 0.00 H new ATOM 616 N LYS A 42 -0.427 -15.736 1.326 1.00 0.00 N ATOM 617 CA LYS A 42 -1.326 -14.560 1.267 1.00 0.00 C ATOM 618 C LYS A 42 -1.919 -14.113 2.623 1.00 0.00 C ATOM 619 O LYS A 42 -2.509 -13.033 2.702 1.00 0.00 O ATOM 620 CB LYS A 42 -2.449 -14.755 0.219 1.00 0.00 C ATOM 621 CG LYS A 42 -2.068 -14.344 -1.209 1.00 0.00 C ATOM 622 CD LYS A 42 -0.898 -15.148 -1.791 1.00 0.00 C ATOM 623 CE LYS A 42 -0.787 -14.931 -3.304 1.00 0.00 C ATOM 624 NZ LYS A 42 -1.868 -15.637 -4.035 1.00 0.00 N ATOM 0 H LYS A 42 0.524 -15.482 1.060 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.675 -13.743 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.745 -15.804 0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.321 -14.179 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.937 -14.464 -1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.809 -13.285 -1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.031 -14.848 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.039 -16.208 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.834 -13.864 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.182 -15.286 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.637 -15.672 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.960 -16.606 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.766 -15.129 -3.902 1.00 0.00 H new ATOM 638 N ASN A 43 -1.816 -14.896 3.698 1.00 0.00 N ATOM 639 CA ASN A 43 -2.491 -14.593 4.955 1.00 0.00 C ATOM 640 C ASN A 43 -1.653 -13.709 5.890 1.00 0.00 C ATOM 641 O ASN A 43 -0.454 -13.892 6.075 1.00 0.00 O ATOM 642 CB ASN A 43 -3.058 -15.851 5.621 1.00 0.00 C ATOM 643 CG ASN A 43 -2.011 -16.840 6.103 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.427 -16.678 7.166 1.00 0.00 O ATOM 645 ND2 ASN A 43 -1.761 -17.900 5.362 1.00 0.00 N ATOM 0 H ASN A 43 -1.264 -15.754 3.719 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.357 -13.979 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.673 -15.551 6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.716 -16.355 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.078 -18.590 5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.251 -18.030 4.477 1.00 0.00 H new ATOM 652 N ALA A 44 -2.342 -12.735 6.462 1.00 0.00 N ATOM 653 CA ALA A 44 -1.909 -11.764 7.452 1.00 0.00 C ATOM 654 C ALA A 44 -2.558 -12.124 8.802 1.00 0.00 C ATOM 655 O ALA A 44 -3.773 -12.323 8.860 1.00 0.00 O ATOM 656 CB ALA A 44 -2.368 -10.391 6.925 1.00 0.00 C ATOM 0 H ALA A 44 -3.322 -12.591 6.218 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.830 -11.752 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.071 -9.613 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.906 -10.200 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.453 -10.387 6.817 1.00 0.00 H new ATOM 662 N THR A 45 -1.775 -12.229 9.879 1.00 0.00 N ATOM 663 CA THR A 45 -2.242 -12.628 11.221 1.00 0.00 C ATOM 664 C THR A 45 -1.804 -11.574 12.228 1.00 0.00 C ATOM 665 O THR A 45 -0.735 -10.986 12.091 1.00 0.00 O ATOM 666 CB THR A 45 -1.719 -14.025 11.589 1.00 0.00 C ATOM 667 OG1 THR A 45 -2.125 -14.947 10.604 1.00 0.00 O ATOM 668 CG2 THR A 45 -2.258 -14.551 12.916 1.00 0.00 C ATOM 0 H THR A 45 -0.774 -12.036 9.847 1.00 0.00 H new ATOM 0 HA THR A 45 -3.330 -12.690 11.230 1.00 0.00 H new ATOM 0 HB THR A 45 -0.636 -13.926 11.665 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.792 -15.839 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.846 -15.541 13.109 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.969 -13.874 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.345 -14.614 12.868 1.00 0.00 H new ATOM 676 N ILE A 46 -2.620 -11.299 13.241 1.00 0.00 N ATOM 677 CA ILE A 46 -2.338 -10.234 14.210 1.00 0.00 C ATOM 678 C ILE A 46 -2.983 -10.503 15.574 1.00 0.00 C ATOM 679 O ILE A 46 -4.102 -11.025 15.660 1.00 0.00 O ATOM 680 CB ILE A 46 -2.712 -8.855 13.599 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.019 -7.699 14.347 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.234 -8.645 13.500 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.402 -6.305 13.866 1.00 0.00 C ATOM 0 H ILE A 46 -3.490 -11.801 13.417 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.268 -10.216 14.415 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.337 -8.854 12.576 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.254 -7.779 15.408 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.940 -7.818 14.250 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.439 -7.666 13.067 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.668 -9.420 12.868 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.674 -8.700 14.496 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.865 -5.558 14.451 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.140 -6.199 12.813 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.475 -6.160 13.990 1.00 0.00 H new ATOM 695 N ILE A 47 -2.264 -10.104 16.627 1.00 0.00 N ATOM 696 CA ILE A 47 -2.811 -9.896 17.978 1.00 0.00 C ATOM 697 C ILE A 47 -2.958 -8.393 18.234 1.00 0.00 C ATOM 698 O ILE A 47 -2.000 -7.627 18.073 1.00 0.00 O ATOM 699 CB ILE A 47 -1.944 -10.569 19.070 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.835 -12.090 18.804 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.549 -10.279 20.460 1.00 0.00 C ATOM 702 CD1 ILE A 47 -1.283 -12.913 19.977 1.00 0.00 C ATOM 0 H ILE A 47 -1.264 -9.912 16.567 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.791 -10.371 18.031 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.935 -10.157 19.043 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.823 -12.471 18.545 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.195 -12.247 17.936 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.938 -10.753 21.229 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.574 -9.202 20.629 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.563 -10.677 20.506 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.244 -13.966 19.696 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.280 -12.566 20.225 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.933 -12.793 20.844 1.00 0.00 H new ATOM 714 N TYR A 48 -4.149 -7.988 18.674 1.00 0.00 N ATOM 715 CA TYR A 48 -4.549 -6.600 18.893 1.00 0.00 C ATOM 716 C TYR A 48 -5.293 -6.384 20.227 1.00 0.00 C ATOM 717 O TYR A 48 -5.953 -7.282 20.749 1.00 0.00 O ATOM 718 CB TYR A 48 -5.391 -6.130 17.699 1.00 0.00 C ATOM 719 CG TYR A 48 -6.730 -6.824 17.475 1.00 0.00 C ATOM 720 CD1 TYR A 48 -6.776 -8.018 16.731 1.00 0.00 C ATOM 721 CD2 TYR A 48 -7.935 -6.261 17.953 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.005 -8.643 16.462 1.00 0.00 C ATOM 723 CE2 TYR A 48 -9.175 -6.869 17.664 1.00 0.00 C ATOM 724 CZ TYR A 48 -9.209 -8.064 16.909 1.00 0.00 C ATOM 725 OH TYR A 48 -10.381 -8.689 16.614 1.00 0.00 O ATOM 0 H TYR A 48 -4.894 -8.648 18.897 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.644 -5.998 18.968 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.579 -5.063 17.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.793 -6.250 16.796 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.860 -8.457 16.364 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.906 -5.358 18.544 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.027 -9.571 15.910 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.093 -6.424 18.018 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.520 -9.434 17.235 1.00 0.00 H new ATOM 735 N ASP A 49 -5.200 -5.169 20.773 1.00 0.00 N ATOM 736 CA ASP A 49 -5.966 -4.700 21.931 1.00 0.00 C ATOM 737 C ASP A 49 -7.450 -4.509 21.545 1.00 0.00 C ATOM 738 O ASP A 49 -7.735 -3.667 20.683 1.00 0.00 O ATOM 739 CB ASP A 49 -5.352 -3.370 22.410 1.00 0.00 C ATOM 740 CG ASP A 49 -5.934 -2.805 23.714 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.025 -3.240 24.150 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.287 -1.888 24.272 1.00 0.00 O ATOM 0 H ASP A 49 -4.566 -4.459 20.408 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.923 -5.435 22.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.279 -3.512 22.543 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.480 -2.627 21.623 1.00 0.00 H new ATOM 747 N PRO A 50 -8.406 -5.223 22.176 1.00 0.00 N ATOM 748 CA PRO A 50 -9.828 -5.086 21.866 1.00 0.00 C ATOM 749 C PRO A 50 -10.409 -3.707 22.225 1.00 0.00 C ATOM 750 O PRO A 50 -11.512 -3.392 21.778 1.00 0.00 O ATOM 751 CB PRO A 50 -10.525 -6.225 22.618 1.00 0.00 C ATOM 752 CG PRO A 50 -9.587 -6.517 23.786 1.00 0.00 C ATOM 753 CD PRO A 50 -8.207 -6.250 23.192 1.00 0.00 C ATOM 0 HA PRO A 50 -9.989 -5.154 20.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.515 -5.929 22.964 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.658 -7.101 21.983 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.791 -5.870 24.639 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.684 -7.545 24.135 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.510 -5.912 23.959 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.787 -7.156 22.756 1.00 0.00 H new ATOM 761 N LYS A 51 -9.690 -2.862 22.979 1.00 0.00 N ATOM 762 CA LYS A 51 -10.041 -1.447 23.162 1.00 0.00 C ATOM 763 C LYS A 51 -9.611 -0.592 21.956 1.00 0.00 C ATOM 764 O LYS A 51 -10.443 0.084 21.353 1.00 0.00 O ATOM 765 CB LYS A 51 -9.443 -0.910 24.475 1.00 0.00 C ATOM 766 CG LYS A 51 -9.968 -1.663 25.707 1.00 0.00 C ATOM 767 CD LYS A 51 -9.664 -0.947 27.031 1.00 0.00 C ATOM 768 CE LYS A 51 -8.185 -0.650 27.293 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.394 -1.875 27.554 1.00 0.00 N ATOM 0 H LYS A 51 -8.847 -3.142 23.480 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.127 -1.377 23.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.357 -0.993 24.437 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.679 0.150 24.572 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.046 -1.794 25.612 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.526 -2.659 25.731 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.215 -0.007 27.051 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.045 -1.557 27.850 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.766 -0.128 26.433 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.099 0.022 28.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.401 -1.617 27.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.774 -2.362 28.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.451 -2.507 26.730 1.00 0.00 H new ATOM 783 N LEU A 52 -8.326 -0.631 21.580 1.00 0.00 N ATOM 784 CA LEU A 52 -7.709 0.305 20.621 1.00 0.00 C ATOM 785 C LEU A 52 -7.722 -0.171 19.150 1.00 0.00 C ATOM 786 O LEU A 52 -7.282 0.565 18.266 1.00 0.00 O ATOM 787 CB LEU A 52 -6.276 0.624 21.104 1.00 0.00 C ATOM 788 CG LEU A 52 -6.150 1.762 22.141 1.00 0.00 C ATOM 789 CD1 LEU A 52 -6.961 1.541 23.425 1.00 0.00 C ATOM 790 CD2 LEU A 52 -4.668 1.915 22.511 1.00 0.00 C ATOM 0 H LEU A 52 -7.671 -1.326 21.939 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.322 1.206 20.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.848 -0.282 21.534 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.670 0.882 20.236 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.558 2.659 21.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.815 2.386 24.097 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.019 1.453 23.177 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.626 0.626 23.914 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.556 2.715 23.243 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.301 0.981 22.935 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.093 2.159 21.617 1.00 0.00 H new ATOM 802 N GLN A 53 -8.206 -1.378 18.851 1.00 0.00 N ATOM 803 CA GLN A 53 -8.201 -1.955 17.499 1.00 0.00 C ATOM 804 C GLN A 53 -9.502 -2.716 17.184 1.00 0.00 C ATOM 805 O GLN A 53 -10.280 -3.052 18.087 1.00 0.00 O ATOM 806 CB GLN A 53 -6.967 -2.874 17.361 1.00 0.00 C ATOM 807 CG GLN A 53 -5.790 -2.266 16.578 1.00 0.00 C ATOM 808 CD GLN A 53 -6.044 -2.227 15.070 1.00 0.00 C ATOM 809 OE1 GLN A 53 -7.171 -2.319 14.615 1.00 0.00 O ATOM 810 NE2 GLN A 53 -5.022 -2.094 14.250 1.00 0.00 N ATOM 0 H GLN A 53 -8.620 -1.994 19.550 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.143 -1.145 16.772 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.620 -3.144 18.358 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.273 -3.797 16.869 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.603 -1.254 16.938 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.889 -2.846 16.776 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.076 -2.016 14.623 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.177 -2.069 13.242 1.00 0.00 H new ATOM 819 N THR A 54 -9.721 -2.993 15.888 1.00 0.00 N ATOM 820 CA THR A 54 -10.863 -3.747 15.336 1.00 0.00 C ATOM 821 C THR A 54 -10.469 -4.446 14.024 1.00 0.00 C ATOM 822 O THR A 54 -9.604 -3.933 13.311 1.00 0.00 O ATOM 823 CB THR A 54 -12.089 -2.860 15.060 1.00 0.00 C ATOM 824 OG1 THR A 54 -11.735 -1.802 14.201 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.718 -2.250 16.310 1.00 0.00 C ATOM 0 H THR A 54 -9.077 -2.683 15.160 1.00 0.00 H new ATOM 0 HA THR A 54 -11.132 -4.479 16.097 1.00 0.00 H new ATOM 0 HB THR A 54 -12.826 -3.525 14.610 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.521 -1.243 14.029 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.575 -1.640 16.025 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.045 -3.046 16.978 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.983 -1.627 16.820 1.00 0.00 H new ATOM 833 N PRO A 55 -11.128 -5.560 13.642 1.00 0.00 N ATOM 834 CA PRO A 55 -10.942 -6.192 12.334 1.00 0.00 C ATOM 835 C PRO A 55 -11.200 -5.235 11.162 1.00 0.00 C ATOM 836 O PRO A 55 -10.499 -5.299 10.154 1.00 0.00 O ATOM 837 CB PRO A 55 -11.905 -7.383 12.299 1.00 0.00 C ATOM 838 CG PRO A 55 -12.179 -7.682 13.769 1.00 0.00 C ATOM 839 CD PRO A 55 -12.083 -6.315 14.437 1.00 0.00 C ATOM 0 HA PRO A 55 -9.904 -6.504 12.214 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.823 -7.138 11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.461 -8.240 11.794 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.163 -8.129 13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.449 -8.381 14.179 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.054 -5.820 14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.748 -6.406 15.470 1.00 0.00 H new ATOM 847 N LYS A 56 -12.149 -4.299 11.305 1.00 0.00 N ATOM 848 CA LYS A 56 -12.376 -3.234 10.323 1.00 0.00 C ATOM 849 C LYS A 56 -11.099 -2.405 10.091 1.00 0.00 C ATOM 850 O LYS A 56 -10.639 -2.288 8.956 1.00 0.00 O ATOM 851 CB LYS A 56 -13.571 -2.382 10.792 1.00 0.00 C ATOM 852 CG LYS A 56 -14.034 -1.407 9.696 1.00 0.00 C ATOM 853 CD LYS A 56 -15.358 -0.709 10.039 1.00 0.00 C ATOM 854 CE LYS A 56 -15.287 0.268 11.225 1.00 0.00 C ATOM 855 NZ LYS A 56 -14.476 1.478 10.938 1.00 0.00 N ATOM 0 H LYS A 56 -12.780 -4.261 12.106 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.622 -3.664 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.397 -3.035 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.292 -1.822 11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.262 -0.654 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.148 -1.950 8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.704 -0.166 9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.107 -1.470 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.298 0.572 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.865 -0.248 12.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.467 2.096 11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.502 1.196 10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.890 1.991 10.133 1.00 0.00 H new ATOM 869 N THR A 57 -10.456 -1.927 11.164 1.00 0.00 N ATOM 870 CA THR A 57 -9.194 -1.163 11.129 1.00 0.00 C ATOM 871 C THR A 57 -8.029 -1.972 10.551 1.00 0.00 C ATOM 872 O THR A 57 -7.151 -1.372 9.925 1.00 0.00 O ATOM 873 CB THR A 57 -8.930 -0.620 12.538 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.963 0.298 12.798 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.624 0.143 12.748 1.00 0.00 C ATOM 0 H THR A 57 -10.807 -2.063 12.112 1.00 0.00 H new ATOM 0 HA THR A 57 -9.288 -0.322 10.442 1.00 0.00 H new ATOM 0 HB THR A 57 -8.874 -1.492 13.190 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.694 -0.156 13.267 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.558 0.473 13.785 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.781 -0.509 12.521 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.599 1.011 12.089 1.00 0.00 H new ATOM 883 N LEU A 58 -8.041 -3.313 10.641 1.00 0.00 N ATOM 884 CA LEU A 58 -7.106 -4.169 9.890 1.00 0.00 C ATOM 885 C LEU A 58 -7.375 -4.116 8.378 1.00 0.00 C ATOM 886 O LEU A 58 -6.450 -3.898 7.603 1.00 0.00 O ATOM 887 CB LEU A 58 -7.153 -5.636 10.374 1.00 0.00 C ATOM 888 CG LEU A 58 -6.837 -5.911 11.856 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.942 -7.410 12.142 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.492 -5.315 12.284 1.00 0.00 C ATOM 0 H LEU A 58 -8.693 -3.831 11.231 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.109 -3.773 10.081 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.149 -6.026 10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.452 -6.211 9.769 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.582 -5.402 12.468 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.717 -7.597 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.953 -7.753 11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.231 -7.950 11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.315 -5.536 13.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.694 -5.750 11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.510 -4.235 12.138 1.00 0.00 H new ATOM 902 N GLN A 59 -8.625 -4.298 7.940 1.00 0.00 N ATOM 903 CA GLN A 59 -8.986 -4.268 6.514 1.00 0.00 C ATOM 904 C GLN A 59 -8.743 -2.891 5.873 1.00 0.00 C ATOM 905 O GLN A 59 -8.212 -2.818 4.763 1.00 0.00 O ATOM 906 CB GLN A 59 -10.457 -4.664 6.332 1.00 0.00 C ATOM 907 CG GLN A 59 -10.755 -6.125 6.693 1.00 0.00 C ATOM 908 CD GLN A 59 -12.232 -6.440 6.477 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.062 -6.270 7.359 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.636 -6.844 5.295 1.00 0.00 N ATOM 0 H GLN A 59 -9.416 -4.470 8.561 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.340 -4.986 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.077 -4.014 6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.745 -4.490 5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.143 -6.788 6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.486 -6.311 7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.958 -6.991 4.547 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.628 -7.011 5.125 1.00 0.00 H new ATOM 919 N GLU A 60 -9.087 -1.800 6.562 1.00 0.00 N ATOM 920 CA GLU A 60 -8.909 -0.421 6.079 1.00 0.00 C ATOM 921 C GLU A 60 -7.431 -0.025 5.962 1.00 0.00 C ATOM 922 O GLU A 60 -7.075 0.820 5.141 1.00 0.00 O ATOM 923 CB GLU A 60 -9.620 0.551 7.032 1.00 0.00 C ATOM 924 CG GLU A 60 -11.135 0.332 7.052 1.00 0.00 C ATOM 925 CD GLU A 60 -11.816 0.733 5.748 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.967 1.951 5.485 1.00 0.00 O ATOM 927 OE2 GLU A 60 -12.235 -0.155 4.968 1.00 0.00 O ATOM 0 H GLU A 60 -9.506 -1.848 7.491 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.343 -0.368 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.223 0.426 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.406 1.576 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.341 -0.719 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.568 0.905 7.872 1.00 0.00 H new ATOM 934 N ALA A 61 -6.557 -0.669 6.739 1.00 0.00 N ATOM 935 CA ALA A 61 -5.107 -0.548 6.547 1.00 0.00 C ATOM 936 C ALA A 61 -4.637 -1.133 5.202 1.00 0.00 C ATOM 937 O ALA A 61 -3.690 -0.623 4.618 1.00 0.00 O ATOM 938 CB ALA A 61 -4.360 -1.193 7.721 1.00 0.00 C ATOM 0 H ALA A 61 -6.827 -1.281 7.509 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.871 0.516 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.285 -1.096 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.639 -0.693 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.624 -2.249 7.784 1.00 0.00 H new ATOM 944 N ILE A 62 -5.297 -2.168 4.669 1.00 0.00 N ATOM 945 CA ILE A 62 -4.989 -2.730 3.338 1.00 0.00 C ATOM 946 C ILE A 62 -5.424 -1.773 2.219 1.00 0.00 C ATOM 947 O ILE A 62 -4.791 -1.701 1.168 1.00 0.00 O ATOM 948 CB ILE A 62 -5.637 -4.129 3.176 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.449 -5.065 4.393 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.115 -4.824 1.908 1.00 0.00 C ATOM 951 CD1 ILE A 62 -4.013 -5.190 4.917 1.00 0.00 C ATOM 0 H ILE A 62 -6.063 -2.644 5.146 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.909 -2.850 3.258 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.708 -3.940 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.083 -4.708 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.806 -6.059 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.582 -5.804 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.359 -4.219 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.034 -4.942 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.995 -5.869 5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.370 -5.581 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.652 -4.209 5.226 1.00 0.00 H new ATOM 963 N ASP A 63 -6.500 -1.020 2.444 1.00 0.00 N ATOM 964 CA ASP A 63 -6.999 0.020 1.541 1.00 0.00 C ATOM 965 C ASP A 63 -6.119 1.291 1.489 1.00 0.00 C ATOM 966 O ASP A 63 -6.282 2.103 0.576 1.00 0.00 O ATOM 967 CB ASP A 63 -8.458 0.313 1.920 1.00 0.00 C ATOM 968 CG ASP A 63 -9.104 1.398 1.057 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.214 1.213 -0.178 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.490 2.448 1.615 1.00 0.00 O ATOM 0 H ASP A 63 -7.067 -1.119 3.286 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.949 -0.353 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.040 -0.605 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.500 0.618 2.966 1.00 0.00 H new ATOM 975 N ASP A 64 -5.147 1.453 2.399 1.00 0.00 N ATOM 976 CA ASP A 64 -4.072 2.451 2.249 1.00 0.00 C ATOM 977 C ASP A 64 -3.175 2.133 1.038 1.00 0.00 C ATOM 978 O ASP A 64 -2.630 3.044 0.411 1.00 0.00 O ATOM 979 CB ASP A 64 -3.197 2.517 3.518 1.00 0.00 C ATOM 980 CG ASP A 64 -3.867 3.159 4.743 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.011 3.669 4.660 1.00 0.00 O ATOM 982 OD2 ASP A 64 -3.184 3.265 5.792 1.00 0.00 O ATOM 0 H ASP A 64 -5.082 0.901 3.254 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.554 3.415 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.890 1.505 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.290 3.075 3.286 1.00 0.00 H new ATOM 987 N MET A 65 -3.051 0.848 0.686 1.00 0.00 N ATOM 988 CA MET A 65 -2.262 0.322 -0.435 1.00 0.00 C ATOM 989 C MET A 65 -3.152 0.048 -1.670 1.00 0.00 C ATOM 990 O MET A 65 -4.189 0.696 -1.857 1.00 0.00 O ATOM 991 CB MET A 65 -1.477 -0.906 0.080 1.00 0.00 C ATOM 992 CG MET A 65 -0.305 -0.496 0.983 1.00 0.00 C ATOM 993 SD MET A 65 0.246 -1.802 2.107 1.00 0.00 S ATOM 994 CE MET A 65 -0.936 -1.474 3.435 1.00 0.00 C ATOM 0 H MET A 65 -3.524 0.107 1.203 1.00 0.00 H new ATOM 0 HA MET A 65 -1.539 1.055 -0.792 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.150 -1.562 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.100 -1.478 -0.768 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.534 -0.191 0.357 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.598 0.375 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.402 -1.126 4.319 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.642 -0.709 3.113 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.477 -2.389 3.675 1.00 0.00 H new ATOM 1004 N GLY A 66 -2.725 -0.870 -2.547 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.475 -1.359 -3.711 1.00 0.00 C ATOM 1006 C GLY A 66 -3.613 -2.881 -3.687 1.00 0.00 C ATOM 1007 O GLY A 66 -3.195 -3.553 -4.630 1.00 0.00 O ATOM 0 H GLY A 66 -1.809 -1.311 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.465 -0.903 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.969 -1.053 -4.627 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.194 -3.405 -2.604 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.484 -4.827 -2.389 1.00 0.00 C ATOM 1013 C PHE A 67 -5.920 -5.007 -1.861 1.00 0.00 C ATOM 1014 O PHE A 67 -6.545 -4.046 -1.407 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.454 -5.432 -1.415 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.990 -5.157 -1.727 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.415 -5.610 -2.932 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.194 -4.450 -0.803 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.063 -5.343 -3.215 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.157 -4.184 -1.088 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.722 -4.624 -2.298 1.00 0.00 C ATOM 0 H PHE A 67 -4.488 -2.825 -1.818 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.408 -5.355 -3.340 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.667 -5.056 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.601 -6.512 -1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.014 -6.164 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.624 -4.111 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.373 -5.692 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.761 -3.641 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.757 -4.410 -2.522 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.444 -6.233 -1.894 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.768 -6.607 -1.371 1.00 0.00 C ATOM 1033 C ASP A 68 -7.631 -7.720 -0.314 1.00 0.00 C ATOM 1034 O ASP A 68 -6.608 -8.411 -0.275 1.00 0.00 O ATOM 1035 CB ASP A 68 -8.678 -7.049 -2.531 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.876 -5.964 -3.596 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -9.252 -4.816 -3.251 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -8.687 -6.261 -4.801 1.00 0.00 O ATOM 0 H ASP A 68 -5.944 -7.024 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.223 -5.743 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.251 -7.935 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.650 -7.337 -2.131 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.641 -7.890 0.551 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.544 -8.738 1.742 1.00 0.00 C ATOM 1045 C ALA A 69 -9.870 -9.398 2.170 1.00 0.00 C ATOM 1046 O ALA A 69 -10.956 -8.878 1.914 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.941 -7.904 2.881 1.00 0.00 C ATOM 0 H ALA A 69 -9.550 -7.441 0.442 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.897 -9.579 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.860 -8.518 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.950 -7.554 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.584 -7.047 3.084 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.771 -10.540 2.860 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.910 -11.377 3.292 1.00 0.00 C ATOM 1055 C VAL A 70 -10.615 -11.989 4.664 1.00 0.00 C ATOM 1056 O VAL A 70 -9.564 -12.598 4.852 1.00 0.00 O ATOM 1057 CB VAL A 70 -11.202 -12.518 2.278 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.465 -13.304 2.673 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.374 -12.017 0.833 1.00 0.00 C ATOM 0 H VAL A 70 -8.870 -10.924 3.145 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.788 -10.734 3.347 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.325 -13.165 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.644 -14.095 1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.326 -13.744 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.321 -12.630 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.575 -12.863 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.207 -11.316 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.461 -11.516 0.510 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.517 -11.843 5.639 1.00 0.00 N ATOM 1070 CA ILE A 71 -11.327 -12.383 7.000 1.00 0.00 C ATOM 1071 C ILE A 71 -11.437 -13.919 6.999 1.00 0.00 C ATOM 1072 O ILE A 71 -12.378 -14.478 6.435 1.00 0.00 O ATOM 1073 CB ILE A 71 -12.294 -11.705 8.002 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.954 -10.196 8.104 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -12.207 -12.393 9.381 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.885 -9.374 8.998 1.00 0.00 C ATOM 0 H ILE A 71 -12.400 -11.349 5.513 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.318 -12.146 7.337 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.319 -11.807 7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.935 -10.095 8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.969 -9.769 7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.892 -11.906 10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.478 -13.444 9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.189 -12.316 9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.561 -8.333 9.001 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.904 -9.436 8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.854 -9.767 10.014 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.488 -14.613 7.639 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.298 -16.062 7.469 1.00 0.00 C ATOM 1090 C HIS A 72 -9.871 -16.789 8.769 1.00 0.00 C ATOM 1091 O HIS A 72 -9.116 -17.765 8.747 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.327 -16.287 6.296 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.642 -17.546 5.535 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -8.908 -18.708 5.515 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.738 -17.743 4.740 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -9.537 -19.584 4.715 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -10.669 -19.043 4.223 1.00 0.00 N ATOM 0 H HIS A 72 -9.829 -14.187 8.290 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.259 -16.519 7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.373 -15.434 5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.306 -16.339 6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.519 -17.023 4.545 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.185 -20.582 4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.341 -19.490 3.599 1.00 0.00 H new ATOM 1105 N ASN A 73 -10.345 -16.291 9.917 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.990 -16.764 11.260 1.00 0.00 C ATOM 1107 C ASN A 73 -10.467 -18.192 11.581 1.00 0.00 C ATOM 1108 O ASN A 73 -9.702 -18.922 12.252 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.464 -15.704 12.279 1.00 0.00 C ATOM 1110 CG ASN A 73 -11.959 -15.713 12.560 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -12.768 -15.171 11.816 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -12.364 -16.330 13.638 1.00 0.00 N ATOM 1113 OXT ASN A 73 -11.578 -18.598 11.161 1.00 0.00 O ATOM 0 H ASN A 73 -11.011 -15.519 9.937 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.906 -16.866 11.319 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.931 -15.859 13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.183 -14.717 11.912 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.358 -16.362 13.864 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.686 -16.779 14.254 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 -2.966 17.818 -20.137 1.00 0.00 N ATOM 1122 CA MET B 74 -1.803 18.367 -20.863 1.00 0.00 C ATOM 1123 C MET B 74 -0.466 18.041 -20.188 1.00 0.00 C ATOM 1124 O MET B 74 0.308 17.333 -20.838 1.00 0.00 O ATOM 1125 CB MET B 74 -1.994 19.848 -21.219 1.00 0.00 C ATOM 1126 CG MET B 74 -0.830 20.454 -22.017 1.00 0.00 C ATOM 1127 SD MET B 74 0.596 20.979 -21.029 1.00 0.00 S ATOM 1128 CE MET B 74 1.666 21.629 -22.337 1.00 0.00 C ATOM 0 HA MET B 74 -1.749 17.847 -21.820 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.912 19.957 -21.796 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.126 20.418 -20.299 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.493 19.721 -22.750 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.202 21.314 -22.574 1.00 0.00 H new ATOM 0 HE1 MET B 74 2.594 21.996 -21.899 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.890 20.836 -23.051 1.00 0.00 H new ATOM 0 HE3 MET B 74 1.159 22.446 -22.850 1.00 0.00 H new ATOM 1140 N PRO B 75 -0.139 18.523 -18.965 1.00 0.00 N ATOM 1141 CA PRO B 75 1.183 18.322 -18.376 1.00 0.00 C ATOM 1142 C PRO B 75 1.460 16.847 -18.075 1.00 0.00 C ATOM 1143 O PRO B 75 0.564 16.091 -17.701 1.00 0.00 O ATOM 1144 CB PRO B 75 1.229 19.181 -17.108 1.00 0.00 C ATOM 1145 CG PRO B 75 -0.240 19.287 -16.712 1.00 0.00 C ATOM 1146 CD PRO B 75 -0.947 19.339 -18.064 1.00 0.00 C ATOM 0 HA PRO B 75 1.964 18.621 -19.075 1.00 0.00 H new ATOM 0 HB2 PRO B 75 1.825 18.713 -16.325 1.00 0.00 H new ATOM 0 HB3 PRO B 75 1.667 20.161 -17.300 1.00 0.00 H new ATOM 0 HG2 PRO B 75 -0.563 18.431 -16.119 1.00 0.00 H new ATOM 0 HG3 PRO B 75 -0.436 20.179 -16.118 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -1.963 18.951 -17.990 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -1.023 20.364 -18.427 1.00 0.00 H new ATOM 1154 N LYS B 76 2.722 16.452 -18.232 1.00 0.00 N ATOM 1155 CA LYS B 76 3.217 15.103 -17.956 1.00 0.00 C ATOM 1156 C LYS B 76 4.312 15.144 -16.879 1.00 0.00 C ATOM 1157 O LYS B 76 5.161 16.036 -16.884 1.00 0.00 O ATOM 1158 CB LYS B 76 3.701 14.502 -19.285 1.00 0.00 C ATOM 1159 CG LYS B 76 4.083 13.030 -19.126 1.00 0.00 C ATOM 1160 CD LYS B 76 4.414 12.377 -20.463 1.00 0.00 C ATOM 1161 CE LYS B 76 4.715 10.903 -20.196 1.00 0.00 C ATOM 1162 NZ LYS B 76 4.868 10.158 -21.461 1.00 0.00 N ATOM 0 H LYS B 76 3.452 17.081 -18.565 1.00 0.00 H new ATOM 0 HA LYS B 76 2.429 14.466 -17.553 1.00 0.00 H new ATOM 0 HB2 LYS B 76 2.917 14.597 -20.036 1.00 0.00 H new ATOM 0 HB3 LYS B 76 4.560 15.065 -19.649 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.942 12.949 -18.460 1.00 0.00 H new ATOM 0 HG3 LYS B 76 3.262 12.492 -18.653 1.00 0.00 H new ATOM 0 HD2 LYS B 76 3.578 12.478 -21.155 1.00 0.00 H new ATOM 0 HD3 LYS B 76 5.272 12.865 -20.926 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.627 10.815 -19.605 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.910 10.465 -19.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.072 9.160 -21.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 3.988 10.225 -22.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.652 10.564 -22.011 1.00 0.00 H new ATOM 1176 N HIS B 77 4.311 14.196 -15.947 1.00 0.00 N ATOM 1177 CA HIS B 77 5.004 14.320 -14.660 1.00 0.00 C ATOM 1178 C HIS B 77 5.488 12.959 -14.128 1.00 0.00 C ATOM 1179 O HIS B 77 4.822 11.933 -14.293 1.00 0.00 O ATOM 1180 CB HIS B 77 4.114 15.064 -13.633 1.00 0.00 C ATOM 1181 CG HIS B 77 2.624 15.078 -13.902 1.00 0.00 C ATOM 1182 ND1 HIS B 77 1.812 16.185 -13.928 1.00 0.00 N ATOM 1183 CD2 HIS B 77 1.833 14.007 -14.217 1.00 0.00 C ATOM 1184 CE1 HIS B 77 0.573 15.788 -14.265 1.00 0.00 C ATOM 1185 NE2 HIS B 77 0.534 14.460 -14.465 1.00 0.00 N ATOM 0 H HIS B 77 3.824 13.307 -16.062 1.00 0.00 H new ATOM 0 HA HIS B 77 5.901 14.918 -14.821 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.278 14.615 -12.654 1.00 0.00 H new ATOM 0 HB3 HIS B 77 4.457 16.097 -13.571 1.00 0.00 H new ATOM 0 HD1 HIS B 77 2.099 17.143 -13.726 1.00 0.00 H new ATOM 0 HD2 HIS B 77 2.159 12.979 -14.266 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -0.277 16.448 -14.362 1.00 0.00 H new ATOM 1193 N GLU B 78 6.669 12.948 -13.501 1.00 0.00 N ATOM 1194 CA GLU B 78 7.369 11.724 -13.112 1.00 0.00 C ATOM 1195 C GLU B 78 7.509 11.628 -11.588 1.00 0.00 C ATOM 1196 O GLU B 78 7.890 12.586 -10.920 1.00 0.00 O ATOM 1197 CB GLU B 78 8.734 11.633 -13.820 1.00 0.00 C ATOM 1198 CG GLU B 78 8.585 11.692 -15.354 1.00 0.00 C ATOM 1199 CD GLU B 78 9.815 11.193 -16.116 1.00 0.00 C ATOM 1200 OE1 GLU B 78 10.960 11.316 -15.630 1.00 0.00 O ATOM 1201 OE2 GLU B 78 9.641 10.620 -17.216 1.00 0.00 O ATOM 0 H GLU B 78 7.170 13.800 -13.247 1.00 0.00 H new ATOM 0 HA GLU B 78 6.773 10.870 -13.433 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.373 12.450 -13.485 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.229 10.704 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU B 78 7.721 11.096 -15.648 1.00 0.00 H new ATOM 0 HG3 GLU B 78 8.379 12.721 -15.650 1.00 0.00 H new ATOM 1208 N PHE B 79 7.205 10.454 -11.030 1.00 0.00 N ATOM 1209 CA PHE B 79 7.230 10.184 -9.589 1.00 0.00 C ATOM 1210 C PHE B 79 8.058 8.924 -9.317 1.00 0.00 C ATOM 1211 O PHE B 79 7.956 7.946 -10.062 1.00 0.00 O ATOM 1212 CB PHE B 79 5.791 10.026 -9.060 1.00 0.00 C ATOM 1213 CG PHE B 79 4.891 11.227 -9.299 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.275 11.408 -10.553 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.677 12.172 -8.276 1.00 0.00 C ATOM 1216 CE1 PHE B 79 3.484 12.544 -10.798 1.00 0.00 C ATOM 1217 CE2 PHE B 79 3.874 13.302 -8.518 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.294 13.497 -9.784 1.00 0.00 C ATOM 0 H PHE B 79 6.927 9.643 -11.582 1.00 0.00 H new ATOM 0 HA PHE B 79 7.694 11.021 -9.067 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.340 9.152 -9.529 1.00 0.00 H new ATOM 0 HB3 PHE B 79 5.832 9.827 -7.989 1.00 0.00 H new ATOM 0 HD1 PHE B 79 4.411 10.670 -11.330 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.129 12.029 -7.306 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.023 12.684 -11.765 1.00 0.00 H new ATOM 0 HE2 PHE B 79 3.703 14.021 -7.730 1.00 0.00 H new ATOM 0 HZ PHE B 79 2.702 14.380 -9.977 1.00 0.00 H new ATOM 1228 N SER B 80 8.872 8.938 -8.262 1.00 0.00 N ATOM 1229 CA SER B 80 9.756 7.836 -7.861 1.00 0.00 C ATOM 1230 C SER B 80 9.423 7.309 -6.459 1.00 0.00 C ATOM 1231 O SER B 80 9.024 8.066 -5.573 1.00 0.00 O ATOM 1232 CB SER B 80 11.222 8.282 -7.924 1.00 0.00 C ATOM 1233 OG SER B 80 12.087 7.246 -7.489 1.00 0.00 O ATOM 0 H SER B 80 8.939 9.743 -7.639 1.00 0.00 H new ATOM 0 HA SER B 80 9.596 7.018 -8.564 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.475 8.568 -8.945 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.364 9.165 -7.301 1.00 0.00 H new ATOM 0 HG SER B 80 13.016 7.553 -7.540 1.00 0.00 H new ATOM 1239 N VAL B 81 9.611 6.001 -6.275 1.00 0.00 N ATOM 1240 CA VAL B 81 9.390 5.233 -5.043 1.00 0.00 C ATOM 1241 C VAL B 81 10.227 3.950 -5.137 1.00 0.00 C ATOM 1242 O VAL B 81 10.646 3.580 -6.232 1.00 0.00 O ATOM 1243 CB VAL B 81 7.880 4.938 -4.832 1.00 0.00 C ATOM 1244 CG1 VAL B 81 7.285 4.024 -5.920 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.564 4.354 -3.447 1.00 0.00 C ATOM 0 H VAL B 81 9.945 5.407 -7.034 1.00 0.00 H new ATOM 0 HA VAL B 81 9.705 5.807 -4.171 1.00 0.00 H new ATOM 0 HB VAL B 81 7.405 5.916 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL B 81 6.228 3.856 -5.716 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.395 4.499 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.811 3.069 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.493 4.171 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL B 81 8.103 3.416 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.872 5.060 -2.676 1.00 0.00 H new ATOM 1255 N ASP B 82 10.458 3.256 -4.024 1.00 0.00 N ATOM 1256 CA ASP B 82 11.077 1.933 -3.991 1.00 0.00 C ATOM 1257 C ASP B 82 10.288 0.895 -4.814 1.00 0.00 C ATOM 1258 O ASP B 82 9.351 0.266 -4.316 1.00 0.00 O ATOM 1259 CB ASP B 82 11.242 1.489 -2.527 1.00 0.00 C ATOM 1260 CG ASP B 82 11.720 0.040 -2.406 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.554 -0.399 -3.230 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.313 -0.655 -1.450 1.00 0.00 O ATOM 0 H ASP B 82 10.214 3.607 -3.098 1.00 0.00 H new ATOM 0 HA ASP B 82 12.059 2.000 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP B 82 11.955 2.146 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP B 82 10.290 1.599 -2.007 1.00 0.00 H new ATOM 1267 N MET B 83 10.724 0.695 -6.065 1.00 0.00 N ATOM 1268 CA MET B 83 10.321 -0.425 -6.926 1.00 0.00 C ATOM 1269 C MET B 83 11.457 -1.456 -7.089 1.00 0.00 C ATOM 1270 O MET B 83 11.550 -2.111 -8.130 1.00 0.00 O ATOM 1271 CB MET B 83 9.858 0.080 -8.311 1.00 0.00 C ATOM 1272 CG MET B 83 8.795 1.182 -8.313 1.00 0.00 C ATOM 1273 SD MET B 83 8.310 1.657 -9.993 1.00 0.00 S ATOM 1274 CE MET B 83 7.197 3.027 -9.604 1.00 0.00 C ATOM 0 H MET B 83 11.385 1.325 -6.519 1.00 0.00 H new ATOM 0 HA MET B 83 9.483 -0.921 -6.436 1.00 0.00 H new ATOM 0 HB2 MET B 83 10.731 0.447 -8.850 1.00 0.00 H new ATOM 0 HB3 MET B 83 9.470 -0.770 -8.872 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.917 0.839 -7.766 1.00 0.00 H new ATOM 0 HG3 MET B 83 9.178 2.056 -7.786 1.00 0.00 H new ATOM 0 HE1 MET B 83 6.758 3.412 -10.525 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.404 2.676 -8.943 1.00 0.00 H new ATOM 0 HE3 MET B 83 7.756 3.821 -9.109 1.00 0.00 H new ATOM 1284 N THR B 84 12.249 -1.713 -6.035 1.00 0.00 N ATOM 1285 CA THR B 84 12.783 -3.073 -5.815 1.00 0.00 C ATOM 1286 C THR B 84 11.595 -3.972 -5.477 1.00 0.00 C ATOM 1287 O THR B 84 11.471 -5.068 -6.024 1.00 0.00 O ATOM 1288 CB THR B 84 13.815 -3.100 -4.682 1.00 0.00 C ATOM 1289 OG1 THR B 84 14.854 -2.186 -4.942 1.00 0.00 O ATOM 1290 CG2 THR B 84 14.458 -4.477 -4.513 1.00 0.00 C ATOM 0 H THR B 84 12.529 -1.022 -5.339 1.00 0.00 H new ATOM 0 HA THR B 84 13.297 -3.420 -6.711 1.00 0.00 H new ATOM 0 HB THR B 84 13.273 -2.839 -3.773 1.00 0.00 H new ATOM 0 HG1 THR B 84 15.504 -2.213 -4.209 1.00 0.00 H new ATOM 0 HG21 THR B 84 15.181 -4.443 -3.698 1.00 0.00 H new ATOM 0 HG22 THR B 84 13.687 -5.213 -4.284 1.00 0.00 H new ATOM 0 HG23 THR B 84 14.965 -4.758 -5.436 1.00 0.00 H new ATOM 1298 N CYS B 85 10.684 -3.428 -4.665 1.00 0.00 N ATOM 1299 CA CYS B 85 9.383 -3.949 -4.301 1.00 0.00 C ATOM 1300 C CYS B 85 8.487 -4.262 -5.533 1.00 0.00 C ATOM 1301 O CYS B 85 7.916 -3.362 -6.161 1.00 0.00 O ATOM 1302 CB CYS B 85 8.811 -2.871 -3.361 1.00 0.00 C ATOM 1303 SG CYS B 85 7.432 -3.554 -2.414 1.00 0.00 S ATOM 0 H CYS B 85 10.864 -2.533 -4.211 1.00 0.00 H new ATOM 0 HA CYS B 85 9.438 -4.921 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS B 85 9.588 -2.516 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS B 85 8.476 -2.011 -3.941 1.00 0.00 H new ATOM 1308 N GLY B 86 8.347 -5.552 -5.858 1.00 0.00 N ATOM 1309 CA GLY B 86 7.583 -6.037 -7.014 1.00 0.00 C ATOM 1310 C GLY B 86 6.073 -5.968 -6.797 1.00 0.00 C ATOM 1311 O GLY B 86 5.327 -5.649 -7.723 1.00 0.00 O ATOM 0 H GLY B 86 8.770 -6.304 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY B 86 7.847 -5.447 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY B 86 7.868 -7.067 -7.226 1.00 0.00 H new ATOM 1315 N GLY B 87 5.615 -6.182 -5.558 1.00 0.00 N ATOM 1316 CA GLY B 87 4.201 -6.069 -5.193 1.00 0.00 C ATOM 1317 C GLY B 87 3.720 -4.624 -5.294 1.00 0.00 C ATOM 1318 O GLY B 87 2.663 -4.383 -5.871 1.00 0.00 O ATOM 0 H GLY B 87 6.219 -6.440 -4.778 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.602 -6.701 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY B 87 4.055 -6.434 -4.176 1.00 0.00 H new ATOM 1322 N CYS B 88 4.525 -3.652 -4.850 1.00 0.00 N ATOM 1323 CA CYS B 88 4.265 -2.227 -5.081 1.00 0.00 C ATOM 1324 C CYS B 88 4.309 -1.855 -6.574 1.00 0.00 C ATOM 1325 O CYS B 88 3.420 -1.138 -7.037 1.00 0.00 O ATOM 1326 CB CYS B 88 5.239 -1.393 -4.240 1.00 0.00 C ATOM 1327 SG CYS B 88 4.705 -1.470 -2.504 1.00 0.00 S ATOM 0 H CYS B 88 5.377 -3.832 -4.319 1.00 0.00 H new ATOM 0 HA CYS B 88 3.247 -2.002 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS B 88 6.254 -1.777 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.252 -0.360 -4.588 1.00 0.00 H new ATOM 0 HG CYS B 88 5.499 -2.256 -1.840 1.00 0.00 H new ATOM 1333 N ALA B 89 5.275 -2.381 -7.341 1.00 0.00 N ATOM 1334 CA ALA B 89 5.377 -2.167 -8.792 1.00 0.00 C ATOM 1335 C ALA B 89 4.168 -2.703 -9.586 1.00 0.00 C ATOM 1336 O ALA B 89 3.875 -2.188 -10.668 1.00 0.00 O ATOM 1337 CB ALA B 89 6.683 -2.795 -9.291 1.00 0.00 C ATOM 0 H ALA B 89 6.016 -2.974 -6.967 1.00 0.00 H new ATOM 0 HA ALA B 89 5.378 -1.091 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA B 89 6.772 -2.644 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA B 89 7.528 -2.326 -8.788 1.00 0.00 H new ATOM 0 HB3 ALA B 89 6.679 -3.863 -9.074 1.00 0.00 H new ATOM 1343 N GLU B 90 3.449 -3.708 -9.074 1.00 0.00 N ATOM 1344 CA GLU B 90 2.075 -3.975 -9.504 1.00 0.00 C ATOM 1345 C GLU B 90 1.084 -2.942 -8.932 1.00 0.00 C ATOM 1346 O GLU B 90 0.404 -2.242 -9.686 1.00 0.00 O ATOM 1347 CB GLU B 90 1.657 -5.422 -9.194 1.00 0.00 C ATOM 1348 CG GLU B 90 0.312 -5.794 -9.845 1.00 0.00 C ATOM 1349 CD GLU B 90 0.384 -5.820 -11.376 1.00 0.00 C ATOM 1350 OE1 GLU B 90 0.264 -4.747 -12.009 1.00 0.00 O ATOM 1351 OE2 GLU B 90 0.534 -6.919 -11.958 1.00 0.00 O ATOM 0 H GLU B 90 3.797 -4.349 -8.361 1.00 0.00 H new ATOM 0 HA GLU B 90 2.045 -3.864 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU B 90 2.430 -6.105 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU B 90 1.584 -5.553 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -0.004 -6.773 -9.483 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -0.448 -5.078 -9.533 1.00 0.00 H new ATOM 1358 N ALA B 91 1.001 -2.830 -7.600 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.040 -2.101 -6.870 1.00 0.00 C ATOM 1360 C ALA B 91 -0.181 -0.619 -7.243 1.00 0.00 C ATOM 1361 O ALA B 91 -1.297 -0.098 -7.171 1.00 0.00 O ATOM 1362 CB ALA B 91 0.208 -2.262 -5.366 1.00 0.00 C ATOM 0 H ALA B 91 1.685 -3.262 -6.979 1.00 0.00 H new ATOM 0 HA ALA B 91 -0.992 -2.544 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.560 -1.724 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.173 -3.319 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.188 -1.858 -5.114 1.00 0.00 H new ATOM 1368 N VAL B 92 0.888 0.048 -7.695 1.00 0.00 N ATOM 1369 CA VAL B 92 0.802 1.424 -8.230 1.00 0.00 C ATOM 1370 C VAL B 92 -0.253 1.563 -9.342 1.00 0.00 C ATOM 1371 O VAL B 92 -0.902 2.600 -9.424 1.00 0.00 O ATOM 1372 CB VAL B 92 2.153 1.997 -8.724 1.00 0.00 C ATOM 1373 CG1 VAL B 92 3.072 2.339 -7.543 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.881 1.079 -9.717 1.00 0.00 C ATOM 0 H VAL B 92 1.831 -0.341 -7.703 1.00 0.00 H new ATOM 0 HA VAL B 92 0.492 2.018 -7.371 1.00 0.00 H new ATOM 0 HB VAL B 92 1.908 2.910 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.014 2.739 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.589 3.083 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL B 92 3.267 1.438 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.819 1.543 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL B 92 3.088 0.120 -9.242 1.00 0.00 H new ATOM 0 HG23 VAL B 92 2.253 0.921 -10.594 1.00 0.00 H new ATOM 1384 N SER B 93 -0.515 0.511 -10.130 1.00 0.00 N ATOM 1385 CA SER B 93 -1.634 0.502 -11.088 1.00 0.00 C ATOM 1386 C SER B 93 -2.993 0.637 -10.375 1.00 0.00 C ATOM 1387 O SER B 93 -3.746 1.576 -10.634 1.00 0.00 O ATOM 1388 CB SER B 93 -1.572 -0.753 -11.982 1.00 0.00 C ATOM 1389 OG SER B 93 -1.664 -1.978 -11.264 1.00 0.00 O ATOM 0 H SER B 93 0.034 -0.349 -10.124 1.00 0.00 H new ATOM 0 HA SER B 93 -1.534 1.374 -11.734 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.382 -0.709 -12.710 1.00 0.00 H new ATOM 0 HB3 SER B 93 -0.638 -0.741 -12.543 1.00 0.00 H new ATOM 0 HG SER B 93 -0.902 -2.057 -10.652 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.263 -0.229 -9.388 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.474 -0.180 -8.556 1.00 0.00 C ATOM 1397 C ARG B 94 -4.607 1.162 -7.824 1.00 0.00 C ATOM 1398 O ARG B 94 -5.709 1.702 -7.772 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.497 -1.314 -7.512 1.00 0.00 C ATOM 1400 CG ARG B 94 -4.713 -2.740 -8.042 1.00 0.00 C ATOM 1401 CD ARG B 94 -3.566 -3.272 -8.908 1.00 0.00 C ATOM 1402 NE ARG B 94 -3.542 -4.737 -8.898 1.00 0.00 N ATOM 1403 CZ ARG B 94 -4.256 -5.549 -9.665 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -4.996 -5.122 -10.669 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -4.235 -6.835 -9.418 1.00 0.00 N ATOM 0 H ARG B 94 -2.636 -0.995 -9.141 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.314 -0.303 -9.240 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -3.553 -1.293 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.285 -1.096 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -4.855 -3.412 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -5.634 -2.763 -8.625 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -3.680 -2.913 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -2.616 -2.886 -8.538 1.00 0.00 H new ATOM 0 HE ARG B 94 -2.909 -5.179 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -5.037 -4.126 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -5.528 -5.788 -11.230 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -3.675 -7.197 -8.646 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -4.778 -7.475 -9.998 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.510 1.686 -7.269 1.00 0.00 N ATOM 1420 CA VAL B 95 -3.476 2.934 -6.477 1.00 0.00 C ATOM 1421 C VAL B 95 -3.832 4.163 -7.331 1.00 0.00 C ATOM 1422 O VAL B 95 -4.640 4.982 -6.902 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.100 3.109 -5.785 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -1.875 4.504 -5.180 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -1.927 2.067 -4.664 1.00 0.00 C ATOM 0 H VAL B 95 -2.593 1.247 -7.356 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.238 2.853 -5.702 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.363 2.971 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -0.890 4.544 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -1.936 5.256 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -2.639 4.702 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -0.956 2.203 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -2.716 2.196 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -1.986 1.064 -5.087 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.299 4.276 -8.556 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.681 5.341 -9.498 1.00 0.00 C ATOM 1437 C LEU B 96 -5.155 5.220 -9.909 1.00 0.00 C ATOM 1438 O LEU B 96 -5.883 6.216 -9.916 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.738 5.295 -10.718 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.515 6.232 -10.615 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.664 6.053 -9.348 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -0.633 6.022 -11.852 1.00 0.00 C ATOM 0 H LEU B 96 -2.594 3.636 -8.922 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.577 6.310 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.386 4.272 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.306 5.556 -11.611 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.912 7.246 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.170 6.755 -9.368 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.278 6.244 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.280 5.034 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.236 6.677 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.303 4.984 -11.892 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.205 6.255 -12.750 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.632 3.998 -10.157 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.041 3.742 -10.461 1.00 0.00 C ATOM 1456 C ASN B 97 -8.007 4.063 -9.291 1.00 0.00 C ATOM 1457 O ASN B 97 -9.213 4.148 -9.533 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.206 2.298 -10.972 1.00 0.00 C ATOM 1459 CG ASN B 97 -6.561 2.041 -12.339 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -6.545 2.885 -13.233 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -6.034 0.848 -12.547 1.00 0.00 N ATOM 0 H ASN B 97 -5.052 3.159 -10.153 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.332 4.436 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.772 1.614 -10.243 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.269 2.065 -11.034 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -5.614 0.627 -13.450 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -6.047 0.148 -11.805 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.539 4.314 -8.051 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.416 4.784 -6.957 1.00 0.00 C ATOM 1470 C LYS B 98 -8.905 6.230 -7.152 1.00 0.00 C ATOM 1471 O LYS B 98 -10.032 6.550 -6.753 1.00 0.00 O ATOM 1472 CB LYS B 98 -7.765 4.605 -5.571 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.621 3.125 -5.194 1.00 0.00 C ATOM 1474 CD LYS B 98 -7.330 2.907 -3.703 1.00 0.00 C ATOM 1475 CE LYS B 98 -7.335 1.396 -3.452 1.00 0.00 C ATOM 1476 NZ LYS B 98 -7.103 1.027 -2.038 1.00 0.00 N ATOM 0 H LYS B 98 -6.562 4.200 -7.782 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.298 4.145 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -6.783 5.078 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.367 5.114 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.538 2.598 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -6.817 2.683 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -6.366 3.338 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -8.083 3.401 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.293 0.987 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -6.567 0.931 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -6.737 0.055 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -6.411 1.680 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -7.998 1.087 -1.512 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.101 7.081 -7.809 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.578 8.341 -8.393 1.00 0.00 C ATOM 1492 C LEU B 99 -9.447 8.033 -9.619 1.00 0.00 C ATOM 1493 O LEU B 99 -10.631 8.377 -9.641 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.392 9.256 -8.770 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.538 9.782 -7.597 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -5.391 10.627 -8.171 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.355 10.625 -6.606 1.00 0.00 C ATOM 0 H LEU B 99 -7.105 6.914 -7.949 1.00 0.00 H new ATOM 0 HA LEU B 99 -9.179 8.874 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.740 8.709 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.781 10.112 -9.321 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.155 8.924 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.776 11.008 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.779 10.011 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.803 11.463 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.706 10.970 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.780 11.485 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.159 10.019 -6.190 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.858 7.337 -10.600 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.499 6.926 -11.853 1.00 0.00 C ATOM 1511 C GLY B 100 -9.269 7.910 -13.004 1.00 0.00 C ATOM 1512 O GLY B 100 -9.026 9.101 -12.796 1.00 0.00 O ATOM 0 H GLY B 100 -7.886 7.034 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -9.121 5.945 -12.142 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.571 6.817 -11.686 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.362 7.400 -14.233 1.00 0.00 N ATOM 1517 CA GLY B 101 -9.288 8.162 -15.481 1.00 0.00 C ATOM 1518 C GLY B 101 -7.937 8.835 -15.713 1.00 0.00 C ATOM 1519 O GLY B 101 -7.921 10.038 -15.963 1.00 0.00 O ATOM 0 H GLY B 101 -9.497 6.402 -14.393 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -9.499 7.494 -16.316 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -10.067 8.924 -15.477 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.821 8.106 -15.620 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.459 8.657 -15.822 1.00 0.00 C ATOM 1525 C VAL B 102 -4.652 7.892 -16.885 1.00 0.00 C ATOM 1526 O VAL B 102 -4.904 6.715 -17.141 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.658 8.742 -14.499 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -5.276 9.779 -13.547 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -4.527 7.398 -13.762 1.00 0.00 C ATOM 0 H VAL B 102 -6.827 7.110 -15.401 1.00 0.00 H new ATOM 0 HA VAL B 102 -5.612 9.670 -16.194 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.654 9.048 -14.793 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.695 9.819 -12.626 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -5.269 10.759 -14.023 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -6.303 9.495 -13.316 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -3.954 7.540 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.519 7.021 -13.514 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.015 6.680 -14.403 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.671 8.571 -17.495 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.644 7.982 -18.369 1.00 0.00 C ATOM 1541 C LYS B 103 -1.314 7.811 -17.609 1.00 0.00 C ATOM 1542 O LYS B 103 -0.871 8.741 -16.932 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.443 8.882 -19.608 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.439 8.566 -20.738 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.191 9.409 -22.003 1.00 0.00 C ATOM 1546 CE LYS B 103 -3.594 10.876 -21.800 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.311 11.712 -22.991 1.00 0.00 N ATOM 0 H LYS B 103 -3.566 9.580 -17.391 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.978 6.996 -18.691 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.551 9.926 -19.315 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.426 8.759 -19.980 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -3.370 7.508 -20.992 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.454 8.743 -20.382 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.136 9.356 -22.274 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -3.755 8.989 -22.836 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.658 10.928 -21.568 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -3.060 11.281 -20.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -2.526 12.361 -22.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.049 11.100 -23.790 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.158 12.262 -23.239 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.669 6.644 -17.706 1.00 0.00 N ATOM 1562 CA TYR B 104 0.643 6.376 -17.086 1.00 0.00 C ATOM 1563 C TYR B 104 1.418 5.196 -17.704 1.00 0.00 C ATOM 1564 O TYR B 104 0.820 4.278 -18.272 1.00 0.00 O ATOM 1565 CB TYR B 104 0.505 6.193 -15.563 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.264 4.955 -15.147 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -1.671 4.971 -15.183 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.415 3.790 -14.739 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -2.401 3.821 -14.844 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.311 2.634 -14.393 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.722 2.640 -14.468 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.429 1.506 -14.216 1.00 0.00 O ATOM 0 H TYR B 104 -1.043 5.847 -18.222 1.00 0.00 H new ATOM 0 HA TYR B 104 1.242 7.262 -17.297 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.501 6.152 -15.123 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.009 7.070 -15.148 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -2.191 5.872 -15.473 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.494 3.783 -14.692 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -3.481 3.839 -14.870 1.00 0.00 H new ATOM 0 HE2 TYR B 104 0.210 1.744 -14.071 1.00 0.00 H new ATOM 0 HH TYR B 104 -1.883 0.724 -14.440 1.00 0.00 H new ATOM 1582 N ASP B 105 2.742 5.188 -17.526 1.00 0.00 N ATOM 1583 CA ASP B 105 3.655 4.077 -17.844 1.00 0.00 C ATOM 1584 C ASP B 105 4.716 3.935 -16.733 1.00 0.00 C ATOM 1585 O ASP B 105 5.144 4.939 -16.165 1.00 0.00 O ATOM 1586 CB ASP B 105 4.369 4.327 -19.186 1.00 0.00 C ATOM 1587 CG ASP B 105 3.423 4.644 -20.346 1.00 0.00 C ATOM 1588 OD1 ASP B 105 2.923 3.695 -21.000 1.00 0.00 O ATOM 1589 OD2 ASP B 105 3.190 5.855 -20.596 1.00 0.00 O ATOM 0 H ASP B 105 3.234 5.993 -17.138 1.00 0.00 H new ATOM 0 HA ASP B 105 3.066 3.163 -17.916 1.00 0.00 H new ATOM 0 HB2 ASP B 105 5.068 5.154 -19.065 1.00 0.00 H new ATOM 0 HB3 ASP B 105 4.958 3.446 -19.442 1.00 0.00 H new ATOM 1594 N ILE B 106 5.149 2.711 -16.413 1.00 0.00 N ATOM 1595 CA ILE B 106 6.128 2.416 -15.340 1.00 0.00 C ATOM 1596 C ILE B 106 7.501 2.058 -15.935 1.00 0.00 C ATOM 1597 O ILE B 106 7.586 1.214 -16.833 1.00 0.00 O ATOM 1598 CB ILE B 106 5.606 1.273 -14.427 1.00 0.00 C ATOM 1599 CG1 ILE B 106 4.177 1.556 -13.892 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.576 1.043 -13.246 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.532 0.348 -13.199 1.00 0.00 C ATOM 0 H ILE B 106 4.827 1.874 -16.898 1.00 0.00 H new ATOM 0 HA ILE B 106 6.249 3.312 -14.731 1.00 0.00 H new ATOM 0 HB ILE B 106 5.556 0.371 -15.038 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.219 2.388 -13.189 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.543 1.870 -14.721 1.00 0.00 H new ATOM 0 HG21 ILE B 106 6.197 0.239 -12.615 1.00 0.00 H new ATOM 0 HG22 ILE B 106 7.559 0.770 -13.630 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.657 1.958 -12.659 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.535 0.618 -12.850 1.00 0.00 H new ATOM 0 HD12 ILE B 106 3.458 -0.479 -13.905 1.00 0.00 H new ATOM 0 HD13 ILE B 106 4.144 0.046 -12.349 1.00 0.00 H new ATOM 1613 N ASP B 107 8.574 2.644 -15.398 1.00 0.00 N ATOM 1614 CA ASP B 107 9.979 2.427 -15.775 1.00 0.00 C ATOM 1615 C ASP B 107 10.728 1.676 -14.655 1.00 0.00 C ATOM 1616 O ASP B 107 11.389 2.286 -13.812 1.00 0.00 O ATOM 1617 CB ASP B 107 10.625 3.802 -16.045 1.00 0.00 C ATOM 1618 CG ASP B 107 12.014 3.754 -16.699 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.501 2.660 -17.070 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.603 4.847 -16.878 1.00 0.00 O ATOM 0 H ASP B 107 8.483 3.324 -14.643 1.00 0.00 H new ATOM 0 HA ASP B 107 10.036 1.813 -16.674 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.959 4.379 -16.686 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.704 4.340 -15.101 1.00 0.00 H new ATOM 1625 N LEU B 108 10.593 0.345 -14.612 1.00 0.00 N ATOM 1626 CA LEU B 108 11.052 -0.488 -13.488 1.00 0.00 C ATOM 1627 C LEU B 108 12.565 -0.363 -13.161 1.00 0.00 C ATOM 1628 O LEU B 108 12.877 -0.256 -11.969 1.00 0.00 O ATOM 1629 CB LEU B 108 10.547 -1.931 -13.734 1.00 0.00 C ATOM 1630 CG LEU B 108 10.669 -2.968 -12.595 1.00 0.00 C ATOM 1631 CD1 LEU B 108 12.083 -3.552 -12.461 1.00 0.00 C ATOM 1632 CD2 LEU B 108 10.161 -2.428 -11.251 1.00 0.00 C ATOM 0 H LEU B 108 10.158 -0.192 -15.363 1.00 0.00 H new ATOM 0 HA LEU B 108 10.614 -0.116 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU B 108 9.495 -1.869 -14.012 1.00 0.00 H new ATOM 0 HB3 LEU B 108 11.083 -2.325 -14.598 1.00 0.00 H new ATOM 0 HG LEU B 108 10.015 -3.791 -12.884 1.00 0.00 H new ATOM 0 HD11 LEU B 108 12.103 -4.273 -11.644 1.00 0.00 H new ATOM 0 HD12 LEU B 108 12.361 -4.049 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU B 108 12.790 -2.749 -12.253 1.00 0.00 H new ATOM 0 HD21 LEU B 108 10.269 -3.197 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU B 108 10.742 -1.550 -10.969 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.110 -2.153 -11.343 1.00 0.00 H new ATOM 1644 N PRO B 109 13.508 -0.319 -14.132 1.00 0.00 N ATOM 1645 CA PRO B 109 14.938 -0.137 -13.848 1.00 0.00 C ATOM 1646 C PRO B 109 15.294 1.213 -13.204 1.00 0.00 C ATOM 1647 O PRO B 109 16.265 1.287 -12.452 1.00 0.00 O ATOM 1648 CB PRO B 109 15.657 -0.285 -15.195 1.00 0.00 C ATOM 1649 CG PRO B 109 14.681 -1.091 -16.046 1.00 0.00 C ATOM 1650 CD PRO B 109 13.327 -0.593 -15.552 1.00 0.00 C ATOM 0 HA PRO B 109 15.246 -0.879 -13.112 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.870 0.686 -15.643 1.00 0.00 H new ATOM 0 HB3 PRO B 109 16.611 -0.801 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.819 -0.903 -17.111 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.799 -2.164 -15.894 1.00 0.00 H new ATOM 0 HD2 PRO B 109 13.019 0.304 -16.089 1.00 0.00 H new ATOM 0 HD3 PRO B 109 12.551 -1.342 -15.712 1.00 0.00 H new ATOM 1658 N ASN B 110 14.526 2.274 -13.487 1.00 0.00 N ATOM 1659 CA ASN B 110 14.699 3.604 -12.883 1.00 0.00 C ATOM 1660 C ASN B 110 13.795 3.822 -11.649 1.00 0.00 C ATOM 1661 O ASN B 110 13.980 4.782 -10.900 1.00 0.00 O ATOM 1662 CB ASN B 110 14.413 4.655 -13.966 1.00 0.00 C ATOM 1663 CG ASN B 110 14.898 6.047 -13.571 1.00 0.00 C ATOM 1664 OD1 ASN B 110 14.156 6.868 -13.049 1.00 0.00 O ATOM 1665 ND2 ASN B 110 16.161 6.354 -13.796 1.00 0.00 N ATOM 0 H ASN B 110 13.754 2.232 -14.153 1.00 0.00 H new ATOM 0 HA ASN B 110 15.722 3.695 -12.518 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.897 4.355 -14.896 1.00 0.00 H new ATOM 0 HB3 ASN B 110 13.341 4.689 -14.161 1.00 0.00 H new ATOM 0 HD21 ASN B 110 16.517 7.274 -13.535 1.00 0.00 H new ATOM 0 HD22 ASN B 110 16.782 5.672 -14.231 1.00 0.00 H new ATOM 1672 N LYS B 111 12.804 2.944 -11.446 1.00 0.00 N ATOM 1673 CA LYS B 111 11.853 2.916 -10.326 1.00 0.00 C ATOM 1674 C LYS B 111 10.880 4.121 -10.325 1.00 0.00 C ATOM 1675 O LYS B 111 10.449 4.590 -9.265 1.00 0.00 O ATOM 1676 CB LYS B 111 12.593 2.732 -8.984 1.00 0.00 C ATOM 1677 CG LYS B 111 13.549 1.525 -8.944 1.00 0.00 C ATOM 1678 CD LYS B 111 14.303 1.526 -7.613 1.00 0.00 C ATOM 1679 CE LYS B 111 15.337 0.399 -7.555 1.00 0.00 C ATOM 1680 NZ LYS B 111 16.251 0.587 -6.406 1.00 0.00 N ATOM 0 H LYS B 111 12.634 2.183 -12.104 1.00 0.00 H new ATOM 0 HA LYS B 111 11.213 2.045 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS B 111 13.161 3.637 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.856 2.622 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.988 0.597 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS B 111 14.253 1.575 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS B 111 14.801 2.486 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS B 111 13.595 1.414 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.830 -0.562 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS B 111 15.910 0.376 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 16.945 -0.187 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 16.749 1.495 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.703 0.586 -5.522 1.00 0.00 H new ATOM 1694 N LYS B 112 10.540 4.654 -11.510 1.00 0.00 N ATOM 1695 CA LYS B 112 9.612 5.785 -11.650 1.00 0.00 C ATOM 1696 C LYS B 112 8.319 5.418 -12.400 1.00 0.00 C ATOM 1697 O LYS B 112 8.289 4.465 -13.177 1.00 0.00 O ATOM 1698 CB LYS B 112 10.329 7.003 -12.274 1.00 0.00 C ATOM 1699 CG LYS B 112 10.758 6.805 -13.736 1.00 0.00 C ATOM 1700 CD LYS B 112 11.353 8.088 -14.331 1.00 0.00 C ATOM 1701 CE LYS B 112 11.805 7.843 -15.775 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.401 9.064 -16.362 1.00 0.00 N ATOM 0 H LYS B 112 10.903 4.311 -12.399 1.00 0.00 H new ATOM 0 HA LYS B 112 9.290 6.062 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS B 112 9.668 7.868 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.211 7.235 -11.677 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.493 6.002 -13.794 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.898 6.494 -14.329 1.00 0.00 H new ATOM 0 HD2 LYS B 112 10.612 8.887 -14.305 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.199 8.418 -13.729 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.533 7.032 -15.799 1.00 0.00 H new ATOM 0 HE3 LYS B 112 10.954 7.525 -16.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 12.163 9.115 -17.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.025 9.902 -15.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 13.435 9.034 -16.251 1.00 0.00 H new ATOM 1716 N VAL B 113 7.265 6.207 -12.191 1.00 0.00 N ATOM 1717 CA VAL B 113 6.039 6.201 -13.005 1.00 0.00 C ATOM 1718 C VAL B 113 5.896 7.540 -13.731 1.00 0.00 C ATOM 1719 O VAL B 113 6.027 8.598 -13.120 1.00 0.00 O ATOM 1720 CB VAL B 113 4.783 5.842 -12.174 1.00 0.00 C ATOM 1721 CG1 VAL B 113 4.499 6.802 -11.006 1.00 0.00 C ATOM 1722 CG2 VAL B 113 3.539 5.690 -13.062 1.00 0.00 C ATOM 0 H VAL B 113 7.235 6.888 -11.432 1.00 0.00 H new ATOM 0 HA VAL B 113 6.126 5.413 -13.753 1.00 0.00 H new ATOM 0 HB VAL B 113 5.016 4.878 -11.721 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.603 6.477 -10.478 1.00 0.00 H new ATOM 0 HG12 VAL B 113 5.346 6.800 -10.319 1.00 0.00 H new ATOM 0 HG13 VAL B 113 4.347 7.810 -11.392 1.00 0.00 H new ATOM 0 HG21 VAL B 113 2.678 5.438 -12.442 1.00 0.00 H new ATOM 0 HG22 VAL B 113 3.348 6.627 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL B 113 3.707 4.896 -13.790 1.00 0.00 H new ATOM 1732 N CYS B 114 5.652 7.474 -15.041 1.00 0.00 N ATOM 1733 CA CYS B 114 5.491 8.602 -15.958 1.00 0.00 C ATOM 1734 C CYS B 114 3.989 8.856 -16.187 1.00 0.00 C ATOM 1735 O CYS B 114 3.388 8.303 -17.112 1.00 0.00 O ATOM 1736 CB CYS B 114 6.238 8.247 -17.259 1.00 0.00 C ATOM 1737 SG CYS B 114 8.003 7.909 -16.946 1.00 0.00 S ATOM 0 H CYS B 114 5.556 6.577 -15.518 1.00 0.00 H new ATOM 0 HA CYS B 114 5.910 9.524 -15.555 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.775 7.374 -17.719 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.144 9.068 -17.969 1.00 0.00 H new ATOM 0 HG CYS B 114 8.682 9.012 -17.056 1.00 0.00 H new ATOM 1743 N ILE B 115 3.369 9.644 -15.307 1.00 0.00 N ATOM 1744 CA ILE B 115 1.926 9.969 -15.321 1.00 0.00 C ATOM 1745 C ILE B 115 1.649 11.161 -16.263 1.00 0.00 C ATOM 1746 O ILE B 115 2.510 12.021 -16.453 1.00 0.00 O ATOM 1747 CB ILE B 115 1.415 10.217 -13.869 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.774 9.040 -12.930 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.106 10.485 -13.839 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.360 9.229 -11.462 1.00 0.00 C ATOM 0 H ILE B 115 3.866 10.092 -14.537 1.00 0.00 H new ATOM 0 HA ILE B 115 1.367 9.120 -15.716 1.00 0.00 H new ATOM 0 HB ILE B 115 1.923 11.109 -13.504 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.302 8.134 -13.311 1.00 0.00 H new ATOM 0 HG13 ILE B 115 2.851 8.879 -12.970 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.426 10.653 -12.811 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.332 11.367 -14.438 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.635 9.624 -14.247 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.654 8.352 -10.885 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.852 10.113 -11.056 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.279 9.356 -11.402 1.00 0.00 H new ATOM 1762 N GLU B 116 0.446 11.231 -16.831 1.00 0.00 N ATOM 1763 CA GLU B 116 -0.084 12.382 -17.564 1.00 0.00 C ATOM 1764 C GLU B 116 -1.537 12.635 -17.111 1.00 0.00 C ATOM 1765 O GLU B 116 -2.467 11.956 -17.555 1.00 0.00 O ATOM 1766 CB GLU B 116 0.033 12.102 -19.075 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.277 13.326 -19.945 1.00 0.00 C ATOM 1768 CD GLU B 116 -0.266 12.981 -21.435 1.00 0.00 C ATOM 1769 OE1 GLU B 116 0.644 12.256 -21.909 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -1.170 13.438 -22.169 1.00 0.00 O ATOM 0 H GLU B 116 -0.215 10.455 -16.792 1.00 0.00 H new ATOM 0 HA GLU B 116 0.484 13.288 -17.354 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.042 11.754 -19.296 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.648 11.294 -19.341 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.253 13.728 -19.672 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.457 14.108 -19.747 1.00 0.00 H new ATOM 1777 N SER B 117 -1.749 13.580 -16.188 1.00 0.00 N ATOM 1778 CA SER B 117 -3.056 13.796 -15.545 1.00 0.00 C ATOM 1779 C SER B 117 -3.492 15.270 -15.409 1.00 0.00 C ATOM 1780 O SER B 117 -2.678 16.197 -15.373 1.00 0.00 O ATOM 1781 CB SER B 117 -3.060 13.121 -14.163 1.00 0.00 C ATOM 1782 OG SER B 117 -4.327 13.217 -13.526 1.00 0.00 O ATOM 0 H SER B 117 -1.022 14.218 -15.864 1.00 0.00 H new ATOM 0 HA SER B 117 -3.789 13.346 -16.214 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.788 12.071 -14.272 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.301 13.583 -13.532 1.00 0.00 H new ATOM 0 HG SER B 117 -4.338 12.644 -12.731 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.810 15.479 -15.313 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.469 16.755 -15.014 1.00 0.00 C ATOM 1790 C GLU B 118 -5.554 17.058 -13.505 1.00 0.00 C ATOM 1791 O GLU B 118 -6.041 18.118 -13.111 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.891 16.754 -15.606 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.941 16.468 -17.113 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.368 16.591 -17.640 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -9.235 15.767 -17.256 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -8.638 17.503 -18.457 1.00 0.00 O ATOM 0 H GLU B 118 -5.481 14.723 -15.449 1.00 0.00 H new ATOM 0 HA GLU B 118 -4.857 17.535 -15.466 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -7.490 16.007 -15.085 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -7.353 17.722 -15.415 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.292 17.166 -17.642 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -6.561 15.466 -17.311 1.00 0.00 H new ATOM 1803 N HIS B 119 -5.124 16.135 -12.647 1.00 0.00 N ATOM 1804 CA HIS B 119 -5.033 16.321 -11.193 1.00 0.00 C ATOM 1805 C HIS B 119 -3.656 16.889 -10.796 1.00 0.00 C ATOM 1806 O HIS B 119 -2.696 16.784 -11.563 1.00 0.00 O ATOM 1807 CB HIS B 119 -5.322 14.977 -10.506 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.656 14.364 -10.875 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.827 15.040 -11.135 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -6.930 13.029 -11.021 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.779 14.142 -11.422 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -8.284 12.892 -11.359 1.00 0.00 N ATOM 0 H HIS B 119 -4.820 15.209 -12.949 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.774 17.050 -10.864 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -4.529 14.274 -10.761 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -5.287 15.119 -9.426 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -6.224 12.221 -10.897 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.801 14.387 -11.669 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -8.791 12.022 -11.524 1.00 0.00 H new ATOM 1820 N SER B 120 -3.531 17.518 -9.625 1.00 0.00 N ATOM 1821 CA SER B 120 -2.281 18.193 -9.251 1.00 0.00 C ATOM 1822 C SER B 120 -1.149 17.235 -8.848 1.00 0.00 C ATOM 1823 O SER B 120 -1.388 16.148 -8.320 1.00 0.00 O ATOM 1824 CB SER B 120 -2.523 19.246 -8.159 1.00 0.00 C ATOM 1825 OG SER B 120 -2.839 18.700 -6.886 1.00 0.00 O ATOM 0 H SER B 120 -4.270 17.575 -8.924 1.00 0.00 H new ATOM 0 HA SER B 120 -1.938 18.694 -10.156 1.00 0.00 H new ATOM 0 HB2 SER B 120 -1.632 19.867 -8.065 1.00 0.00 H new ATOM 0 HB3 SER B 120 -3.336 19.900 -8.474 1.00 0.00 H new ATOM 0 HG SER B 120 -2.978 19.427 -6.244 1.00 0.00 H new ATOM 1831 N MET B 121 0.109 17.660 -9.020 1.00 0.00 N ATOM 1832 CA MET B 121 1.278 16.909 -8.544 1.00 0.00 C ATOM 1833 C MET B 121 1.219 16.595 -7.041 1.00 0.00 C ATOM 1834 O MET B 121 1.625 15.513 -6.633 1.00 0.00 O ATOM 1835 CB MET B 121 2.584 17.631 -8.930 1.00 0.00 C ATOM 1836 CG MET B 121 2.860 18.949 -8.182 1.00 0.00 C ATOM 1837 SD MET B 121 1.728 20.323 -8.522 1.00 0.00 S ATOM 1838 CE MET B 121 2.449 21.572 -7.428 1.00 0.00 C ATOM 0 H MET B 121 0.345 18.533 -9.492 1.00 0.00 H new ATOM 0 HA MET B 121 1.262 15.942 -9.047 1.00 0.00 H new ATOM 0 HB2 MET B 121 3.419 16.953 -8.755 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.561 17.839 -10.000 1.00 0.00 H new ATOM 0 HG2 MET B 121 2.837 18.745 -7.111 1.00 0.00 H new ATOM 0 HG3 MET B 121 3.872 19.273 -8.424 1.00 0.00 H new ATOM 0 HE1 MET B 121 1.877 22.497 -7.505 1.00 0.00 H new ATOM 0 HE2 MET B 121 2.423 21.213 -6.399 1.00 0.00 H new ATOM 0 HE3 MET B 121 3.482 21.759 -7.721 1.00 0.00 H new ATOM 1848 N ASP B 122 0.657 17.493 -6.225 1.00 0.00 N ATOM 1849 CA ASP B 122 0.441 17.285 -4.786 1.00 0.00 C ATOM 1850 C ASP B 122 -0.660 16.243 -4.492 1.00 0.00 C ATOM 1851 O ASP B 122 -0.586 15.565 -3.465 1.00 0.00 O ATOM 1852 CB ASP B 122 0.127 18.645 -4.137 1.00 0.00 C ATOM 1853 CG ASP B 122 0.018 18.564 -2.610 1.00 0.00 C ATOM 1854 OD1 ASP B 122 1.068 18.520 -1.924 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.126 18.548 -2.095 1.00 0.00 O ATOM 0 H ASP B 122 0.333 18.403 -6.551 1.00 0.00 H new ATOM 0 HA ASP B 122 1.351 16.871 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.907 19.358 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.809 19.029 -4.544 1.00 0.00 H new ATOM 1860 N THR B 123 -1.647 16.089 -5.394 1.00 0.00 N ATOM 1861 CA THR B 123 -2.665 15.017 -5.378 1.00 0.00 C ATOM 1862 C THR B 123 -2.050 13.679 -5.759 1.00 0.00 C ATOM 1863 O THR B 123 -2.240 12.693 -5.050 1.00 0.00 O ATOM 1864 CB THR B 123 -3.823 15.349 -6.329 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.429 16.532 -5.877 1.00 0.00 O ATOM 1866 CG2 THR B 123 -4.885 14.246 -6.383 1.00 0.00 C ATOM 0 H THR B 123 -1.763 16.727 -6.181 1.00 0.00 H new ATOM 0 HA THR B 123 -3.055 14.946 -4.363 1.00 0.00 H new ATOM 0 HB THR B 123 -3.413 15.453 -7.333 1.00 0.00 H new ATOM 0 HG1 THR B 123 -3.927 17.305 -6.210 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.678 14.538 -7.072 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.429 13.318 -6.727 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.305 14.096 -5.388 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.303 13.632 -6.863 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.630 12.418 -7.335 1.00 0.00 C ATOM 1876 C LEU B 124 0.377 11.915 -6.290 1.00 0.00 C ATOM 1877 O LEU B 124 0.343 10.741 -5.923 1.00 0.00 O ATOM 1878 CB LEU B 124 0.038 12.709 -8.693 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.939 13.040 -9.844 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.141 13.455 -11.088 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.858 11.858 -10.190 1.00 0.00 C ATOM 0 H LEU B 124 -1.146 14.443 -7.461 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.359 11.620 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.727 13.544 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.634 11.843 -8.980 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.575 13.859 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.829 13.689 -11.900 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.461 14.334 -10.858 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.513 12.637 -11.390 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.525 12.142 -11.004 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.253 11.005 -10.497 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.449 11.588 -9.315 1.00 0.00 H new ATOM 1893 N LEU B 125 1.200 12.816 -5.741 1.00 0.00 N ATOM 1894 CA LEU B 125 2.146 12.508 -4.670 1.00 0.00 C ATOM 1895 C LEU B 125 1.432 12.048 -3.393 1.00 0.00 C ATOM 1896 O LEU B 125 1.854 11.057 -2.813 1.00 0.00 O ATOM 1897 CB LEU B 125 3.052 13.735 -4.437 1.00 0.00 C ATOM 1898 CG LEU B 125 4.213 13.518 -3.446 1.00 0.00 C ATOM 1899 CD1 LEU B 125 5.190 12.427 -3.905 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.973 14.837 -3.256 1.00 0.00 C ATOM 0 H LEU B 125 1.225 13.792 -6.035 1.00 0.00 H new ATOM 0 HA LEU B 125 2.772 11.667 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.468 14.046 -5.395 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.436 14.558 -4.074 1.00 0.00 H new ATOM 0 HG LEU B 125 3.777 13.185 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.986 12.318 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.658 11.481 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.621 12.706 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.794 14.686 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.370 15.169 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.295 15.594 -2.862 1.00 0.00 H new ATOM 1912 N ALA B 126 0.341 12.693 -2.962 1.00 0.00 N ATOM 1913 CA ALA B 126 -0.423 12.264 -1.780 1.00 0.00 C ATOM 1914 C ALA B 126 -1.098 10.890 -1.960 1.00 0.00 C ATOM 1915 O ALA B 126 -1.070 10.071 -1.040 1.00 0.00 O ATOM 1916 CB ALA B 126 -1.439 13.357 -1.433 1.00 0.00 C ATOM 0 H ALA B 126 -0.037 13.523 -3.419 1.00 0.00 H new ATOM 0 HA ALA B 126 0.272 12.128 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -2.014 13.054 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -0.913 14.287 -1.218 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.113 13.508 -2.276 1.00 0.00 H new ATOM 1922 N THR B 127 -1.642 10.609 -3.153 1.00 0.00 N ATOM 1923 CA THR B 127 -2.258 9.317 -3.524 1.00 0.00 C ATOM 1924 C THR B 127 -1.257 8.172 -3.379 1.00 0.00 C ATOM 1925 O THR B 127 -1.622 7.111 -2.874 1.00 0.00 O ATOM 1926 CB THR B 127 -2.812 9.386 -4.955 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.734 10.448 -5.015 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.566 8.125 -5.384 1.00 0.00 C ATOM 0 H THR B 127 -1.669 11.291 -3.911 1.00 0.00 H new ATOM 0 HA THR B 127 -3.085 9.120 -2.842 1.00 0.00 H new ATOM 0 HB THR B 127 -1.955 9.510 -5.618 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.252 11.294 -5.125 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.928 8.247 -6.405 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.896 7.267 -5.337 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.412 7.962 -4.716 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.004 8.396 -3.790 1.00 0.00 N ATOM 1937 CA LEU B 128 1.114 7.471 -3.588 1.00 0.00 C ATOM 1938 C LEU B 128 1.585 7.423 -2.123 1.00 0.00 C ATOM 1939 O LEU B 128 1.708 6.334 -1.562 1.00 0.00 O ATOM 1940 CB LEU B 128 2.258 7.861 -4.545 1.00 0.00 C ATOM 1941 CG LEU B 128 1.952 7.675 -6.049 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.069 8.320 -6.884 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.827 6.189 -6.422 1.00 0.00 C ATOM 0 H LEU B 128 0.266 9.246 -4.284 1.00 0.00 H new ATOM 0 HA LEU B 128 0.776 6.460 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.516 8.905 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.138 7.269 -4.294 1.00 0.00 H new ATOM 0 HG LEU B 128 0.998 8.158 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.853 8.189 -7.944 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.127 9.384 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.021 7.846 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.612 6.098 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.762 5.677 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.018 5.737 -5.848 1.00 0.00 H new ATOM 1955 N LYS B 129 1.836 8.563 -1.469 1.00 0.00 N ATOM 1956 CA LYS B 129 2.331 8.624 -0.080 1.00 0.00 C ATOM 1957 C LYS B 129 1.406 7.928 0.930 1.00 0.00 C ATOM 1958 O LYS B 129 1.910 7.321 1.878 1.00 0.00 O ATOM 1959 CB LYS B 129 2.525 10.084 0.358 1.00 0.00 C ATOM 1960 CG LYS B 129 3.794 10.755 -0.191 1.00 0.00 C ATOM 1961 CD LYS B 129 3.999 12.159 0.402 1.00 0.00 C ATOM 1962 CE LYS B 129 2.779 13.073 0.197 1.00 0.00 C ATOM 1963 NZ LYS B 129 2.956 14.393 0.841 1.00 0.00 N ATOM 0 H LYS B 129 1.701 9.482 -1.890 1.00 0.00 H new ATOM 0 HA LYS B 129 3.281 8.090 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS B 129 1.658 10.663 0.040 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.552 10.122 1.447 1.00 0.00 H new ATOM 0 HG2 LYS B 129 4.661 10.134 0.036 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.728 10.825 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS B 129 4.208 12.072 1.468 1.00 0.00 H new ATOM 0 HD3 LYS B 129 4.874 12.619 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS B 129 2.606 13.211 -0.870 1.00 0.00 H new ATOM 0 HE3 LYS B 129 1.891 12.588 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 2.110 14.975 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 3.095 14.264 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 3.787 14.868 0.436 1.00 0.00 H new ATOM 1977 N LYS B 130 0.084 7.949 0.711 1.00 0.00 N ATOM 1978 CA LYS B 130 -0.941 7.297 1.547 1.00 0.00 C ATOM 1979 C LYS B 130 -0.650 5.809 1.850 1.00 0.00 C ATOM 1980 O LYS B 130 -1.030 5.325 2.917 1.00 0.00 O ATOM 1981 CB LYS B 130 -2.296 7.495 0.836 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.495 6.899 1.595 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.830 7.174 0.886 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.254 8.646 0.988 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.558 8.882 0.324 1.00 0.00 N ATOM 0 H LYS B 130 -0.320 8.441 -0.086 1.00 0.00 H new ATOM 0 HA LYS B 130 -0.947 7.762 2.533 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.466 8.562 0.690 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -2.245 7.042 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.357 5.823 1.700 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -3.528 7.316 2.602 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.745 6.895 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.606 6.544 1.321 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -5.321 8.935 2.037 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -4.492 9.278 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -6.815 9.886 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -6.486 8.629 -0.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -7.289 8.297 0.777 1.00 0.00 H new ATOM 1999 N THR B 131 0.070 5.116 0.953 1.00 0.00 N ATOM 2000 CA THR B 131 0.535 3.721 1.092 1.00 0.00 C ATOM 2001 C THR B 131 1.480 3.477 2.272 1.00 0.00 C ATOM 2002 O THR B 131 1.592 2.344 2.728 1.00 0.00 O ATOM 2003 CB THR B 131 1.246 3.272 -0.193 1.00 0.00 C ATOM 2004 OG1 THR B 131 2.389 4.071 -0.386 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.378 3.369 -1.452 1.00 0.00 C ATOM 0 H THR B 131 0.359 5.531 0.067 1.00 0.00 H new ATOM 0 HA THR B 131 -0.368 3.140 1.281 1.00 0.00 H new ATOM 0 HB THR B 131 1.494 2.220 -0.054 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.115 4.980 -0.628 1.00 0.00 H new ATOM 0 HG21 THR B 131 0.952 3.034 -2.316 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.504 2.739 -1.336 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.068 4.403 -1.601 1.00 0.00 H new ATOM 2013 N GLY B 132 2.174 4.516 2.744 1.00 0.00 N ATOM 2014 CA GLY B 132 3.271 4.451 3.720 1.00 0.00 C ATOM 2015 C GLY B 132 4.654 4.238 3.096 1.00 0.00 C ATOM 2016 O GLY B 132 5.653 4.143 3.810 1.00 0.00 O ATOM 0 H GLY B 132 1.979 5.471 2.444 1.00 0.00 H new ATOM 0 HA2 GLY B 132 3.284 5.375 4.298 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.072 3.640 4.420 1.00 0.00 H new ATOM 2020 N LYS B 133 4.747 4.278 1.765 1.00 0.00 N ATOM 2021 CA LYS B 133 6.012 4.268 1.024 1.00 0.00 C ATOM 2022 C LYS B 133 6.670 5.665 1.043 1.00 0.00 C ATOM 2023 O LYS B 133 6.007 6.678 1.300 1.00 0.00 O ATOM 2024 CB LYS B 133 5.757 3.730 -0.399 1.00 0.00 C ATOM 2025 CG LYS B 133 5.116 2.321 -0.477 1.00 0.00 C ATOM 2026 CD LYS B 133 6.053 1.121 -0.253 1.00 0.00 C ATOM 2027 CE LYS B 133 7.013 0.950 -1.436 1.00 0.00 C ATOM 2028 NZ LYS B 133 7.747 -0.343 -1.408 1.00 0.00 N ATOM 0 H LYS B 133 3.928 4.319 1.159 1.00 0.00 H new ATOM 0 HA LYS B 133 6.727 3.600 1.505 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.110 4.433 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS B 133 6.706 3.708 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS B 133 4.316 2.270 0.261 1.00 0.00 H new ATOM 0 HG3 LYS B 133 4.652 2.212 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS B 133 6.623 1.265 0.665 1.00 0.00 H new ATOM 0 HD3 LYS B 133 5.464 0.213 -0.123 1.00 0.00 H new ATOM 0 HE2 LYS B 133 6.450 1.022 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS B 133 7.732 1.769 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 8.597 -0.273 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 8.026 -0.563 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 7.132 -1.099 -1.771 1.00 0.00 H new ATOM 2042 N THR B 134 7.984 5.711 0.798 1.00 0.00 N ATOM 2043 CA THR B 134 8.835 6.914 0.837 1.00 0.00 C ATOM 2044 C THR B 134 8.949 7.477 -0.578 1.00 0.00 C ATOM 2045 O THR B 134 9.823 7.076 -1.346 1.00 0.00 O ATOM 2046 CB THR B 134 10.193 6.550 1.458 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.965 6.013 2.744 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.109 7.762 1.629 1.00 0.00 C ATOM 0 H THR B 134 8.512 4.873 0.555 1.00 0.00 H new ATOM 0 HA THR B 134 8.401 7.694 1.463 1.00 0.00 H new ATOM 0 HB THR B 134 10.678 5.843 0.785 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.822 5.773 3.155 1.00 0.00 H new ATOM 0 HG21 THR B 134 12.053 7.445 2.072 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.298 8.215 0.656 1.00 0.00 H new ATOM 0 HG23 THR B 134 10.629 8.491 2.282 1.00 0.00 H new ATOM 2056 N VAL B 135 8.024 8.356 -0.950 1.00 0.00 N ATOM 2057 CA VAL B 135 7.768 8.785 -2.347 1.00 0.00 C ATOM 2058 C VAL B 135 8.379 10.167 -2.634 1.00 0.00 C ATOM 2059 O VAL B 135 8.451 11.010 -1.741 1.00 0.00 O ATOM 2060 CB VAL B 135 6.249 8.819 -2.668 1.00 0.00 C ATOM 2061 CG1 VAL B 135 5.969 8.912 -4.180 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.507 7.580 -2.136 1.00 0.00 C ATOM 0 H VAL B 135 7.406 8.811 -0.278 1.00 0.00 H new ATOM 0 HA VAL B 135 8.246 8.046 -2.989 1.00 0.00 H new ATOM 0 HB VAL B 135 5.882 9.715 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.893 8.933 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.417 9.823 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.399 8.046 -4.684 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.449 7.654 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.926 6.682 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.620 7.525 -1.053 1.00 0.00 H new ATOM 2072 N SER B 136 8.802 10.422 -3.878 1.00 0.00 N ATOM 2073 CA SER B 136 9.257 11.749 -4.334 1.00 0.00 C ATOM 2074 C SER B 136 8.759 12.114 -5.743 1.00 0.00 C ATOM 2075 O SER B 136 8.741 11.281 -6.652 1.00 0.00 O ATOM 2076 CB SER B 136 10.790 11.835 -4.306 1.00 0.00 C ATOM 2077 OG SER B 136 11.298 11.636 -2.997 1.00 0.00 O ATOM 0 H SER B 136 8.840 9.709 -4.606 1.00 0.00 H new ATOM 0 HA SER B 136 8.824 12.467 -3.637 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.210 11.086 -4.978 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.108 12.810 -4.676 1.00 0.00 H new ATOM 0 HG SER B 136 12.276 11.695 -3.013 1.00 0.00 H new ATOM 2083 N TYR B 137 8.392 13.385 -5.945 1.00 0.00 N ATOM 2084 CA TYR B 137 7.979 13.940 -7.239 1.00 0.00 C ATOM 2085 C TYR B 137 9.191 14.494 -8.010 1.00 0.00 C ATOM 2086 O TYR B 137 9.749 15.532 -7.646 1.00 0.00 O ATOM 2087 CB TYR B 137 6.920 15.028 -6.979 1.00 0.00 C ATOM 2088 CG TYR B 137 6.579 15.917 -8.164 1.00 0.00 C ATOM 2089 CD1 TYR B 137 6.314 15.359 -9.430 1.00 0.00 C ATOM 2090 CD2 TYR B 137 6.545 17.317 -8.003 1.00 0.00 C ATOM 2091 CE1 TYR B 137 6.019 16.193 -10.522 1.00 0.00 C ATOM 2092 CE2 TYR B 137 6.252 18.155 -9.096 1.00 0.00 C ATOM 2093 CZ TYR B 137 5.985 17.593 -10.363 1.00 0.00 C ATOM 2094 OH TYR B 137 5.701 18.390 -11.430 1.00 0.00 O ATOM 0 H TYR B 137 8.374 14.074 -5.193 1.00 0.00 H new ATOM 0 HA TYR B 137 7.546 13.159 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.005 14.544 -6.637 1.00 0.00 H new ATOM 0 HB3 TYR B 137 7.269 15.661 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.338 14.287 -9.562 1.00 0.00 H new ATOM 0 HD2 TYR B 137 6.745 17.750 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR B 137 5.817 15.758 -11.490 1.00 0.00 H new ATOM 0 HE2 TYR B 137 6.232 19.227 -8.965 1.00 0.00 H new ATOM 0 HH TYR B 137 5.717 19.329 -11.150 1.00 0.00 H new ATOM 2104 N LEU B 138 9.582 13.824 -9.100 1.00 0.00 N ATOM 2105 CA LEU B 138 10.730 14.201 -9.933 1.00 0.00 C ATOM 2106 C LEU B 138 10.279 15.026 -11.154 1.00 0.00 C ATOM 2107 O LEU B 138 10.719 14.784 -12.282 1.00 0.00 O ATOM 2108 CB LEU B 138 11.491 12.922 -10.356 1.00 0.00 C ATOM 2109 CG LEU B 138 11.929 11.963 -9.230 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.799 10.854 -9.841 1.00 0.00 C ATOM 2111 CD2 LEU B 138 12.715 12.663 -8.115 1.00 0.00 C ATOM 0 H LEU B 138 9.101 12.989 -9.434 1.00 0.00 H new ATOM 0 HA LEU B 138 11.404 14.835 -9.357 1.00 0.00 H new ATOM 0 HB2 LEU B 138 10.859 12.365 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.381 13.224 -10.909 1.00 0.00 H new ATOM 0 HG LEU B 138 11.025 11.558 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.117 10.167 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU B 138 12.222 10.309 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.676 11.298 -10.312 1.00 0.00 H new ATOM 0 HD21 LEU B 138 12.994 11.934 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU B 138 13.615 13.114 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU B 138 12.095 13.439 -7.665 1.00 0.00 H new ATOM 2123 N GLY B 139 9.495 16.077 -10.907 1.00 0.00 N ATOM 2124 CA GLY B 139 9.196 17.138 -11.870 1.00 0.00 C ATOM 2125 C GLY B 139 8.372 16.730 -13.099 1.00 0.00 C ATOM 2126 O GLY B 139 7.777 15.652 -13.184 1.00 0.00 O ATOM 0 H GLY B 139 9.038 16.217 -10.006 1.00 0.00 H new ATOM 0 HA2 GLY B 139 8.662 17.932 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY B 139 10.139 17.562 -12.216 1.00 0.00 H new ATOM 2130 N LEU B 140 8.329 17.649 -14.065 1.00 0.00 N ATOM 2131 CA LEU B 140 7.689 17.520 -15.358 1.00 0.00 C ATOM 2132 C LEU B 140 8.597 16.815 -16.379 1.00 0.00 C ATOM 2133 O LEU B 140 9.826 16.798 -16.244 1.00 0.00 O ATOM 2134 CB LEU B 140 7.359 18.952 -15.806 1.00 0.00 C ATOM 2135 CG LEU B 140 6.179 19.634 -15.082 1.00 0.00 C ATOM 2136 CD1 LEU B 140 6.089 21.093 -15.543 1.00 0.00 C ATOM 2137 CD2 LEU B 140 4.836 18.942 -15.363 1.00 0.00 C ATOM 0 H LEU B 140 8.772 18.560 -13.949 1.00 0.00 H new ATOM 0 HA LEU B 140 6.793 16.903 -15.289 1.00 0.00 H new ATOM 0 HB2 LEU B 140 8.248 19.568 -15.669 1.00 0.00 H new ATOM 0 HB3 LEU B 140 7.143 18.936 -16.874 1.00 0.00 H new ATOM 0 HG LEU B 140 6.368 19.567 -14.011 1.00 0.00 H new ATOM 0 HD11 LEU B 140 5.258 21.584 -15.037 1.00 0.00 H new ATOM 0 HD12 LEU B 140 7.018 21.609 -15.300 1.00 0.00 H new ATOM 0 HD13 LEU B 140 5.927 21.125 -16.620 1.00 0.00 H new ATOM 0 HD21 LEU B 140 4.040 19.462 -14.830 1.00 0.00 H new ATOM 0 HD22 LEU B 140 4.631 18.966 -16.433 1.00 0.00 H new ATOM 0 HD23 LEU B 140 4.883 17.907 -15.026 1.00 0.00 H new ATOM 2149 N GLU B 141 7.990 16.288 -17.440 1.00 0.00 N ATOM 2150 CA GLU B 141 8.651 15.679 -18.609 1.00 0.00 C ATOM 2151 C GLU B 141 9.112 16.732 -19.627 1.00 0.00 C ATOM 2152 O GLU B 141 10.261 16.651 -20.112 1.00 0.00 O ATOM 2153 CB GLU B 141 7.678 14.648 -19.214 1.00 0.00 C ATOM 2154 CG GLU B 141 8.304 13.631 -20.185 1.00 0.00 C ATOM 2155 CD GLU B 141 8.624 14.175 -21.587 1.00 0.00 C ATOM 2156 OE1 GLU B 141 7.820 14.938 -22.180 1.00 0.00 O ATOM 2157 OE2 GLU B 141 9.686 13.806 -22.151 1.00 0.00 O ATOM 2158 OXT GLU B 141 8.341 17.654 -19.966 1.00 0.00 O ATOM 0 H GLU B 141 6.973 16.269 -17.519 1.00 0.00 H new ATOM 0 HA GLU B 141 9.566 15.174 -18.300 1.00 0.00 H new ATOM 0 HB2 GLU B 141 7.204 14.101 -18.399 1.00 0.00 H new ATOM 0 HB3 GLU B 141 6.888 15.185 -19.739 1.00 0.00 H new ATOM 0 HG2 GLU B 141 9.224 13.249 -19.742 1.00 0.00 H new ATOM 0 HG3 GLU B 141 7.624 12.785 -20.288 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 6.225 -5.176 -3.032 1.00 0.00 CU