USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=39 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 93 SER OG : rot 180:sc= 0.874 USER MOD Set 1.2: B 104 TYR OH : rot 162:sc= 1.01 USER MOD Set 2.1: A 21 THR OG1 : rot 73:sc= 1.49 USER MOD Set 2.2: B 88 CYS SG : rot 50:sc= -0.449 USER MOD Set 2.3: B 133 LYS NZ :NH3+ 139:sc= 1.06 (180deg=-0.423) USER MOD Set 3.1: B 77 HIS : no HE2:sc= 0.571 K(o=2.5,f=-4.9!) USER MOD Set 3.2: B 117 SER OG : rot -97:sc= 1.89 USER MOD Set 4.1: A 54 THR OG1 : rot -170:sc= 0.115 USER MOD Set 4.2: A 57 THR OG1 : rot 77:sc= 0.0875 USER MOD Set 5.1: A 14 THR OG1 : rot -34:sc= 0.97 USER MOD Set 5.2: A 42 LYS NZ :NH3+ 160:sc= 0.143 (180deg=0) USER MOD Set 6.1: A 17 SER OG : rot 101:sc= 1.27 USER MOD Set 6.2: B 84 THR OG1 : rot 51:sc= 1.22 USER MOD Set 7.1: A 4 ASN : amide:sc= 0 K(o=-0.15,f=-1.4) USER MOD Set 7.2: A 48 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= 0.26 (180deg=0.124) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 171:sc= -0.261 (180deg=-0.358) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 25 GLN : amide:sc= 1 K(o=1,f=-0.013) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 33 HIS : no HD1:sc=-0.00833 X(o=-0.0083,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0281) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.0228 K(o=-0.023,f=-0.82) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0.736 (180deg=0.735) USER MOD Single : A 53 GLN : amide:sc= -3.93! K(o=-3.9!,f=-2.5) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.7!) USER MOD Single : A 65 MET CE :methyl 171:sc= -0.0403 (180deg=-0.185) USER MOD Single : A 72 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1.2) USER MOD Single : A 73 ASN : amide:sc=-0.00972 X(o=-0.0097,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ -116:sc= 0.757 (180deg=-1.01!) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 83 MET CE :methyl -165:sc=-0.00556 (180deg=-0.417) USER MOD Single : B 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 LYS NZ :NH3+ -140:sc= 0.45 (180deg=-0.0506) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= -0.0405 K(o=-0.041,f=-0.76) USER MOD Single : B 111 LYS NZ :NH3+ 172:sc= 0.381 (180deg=0.303) USER MOD Single : B 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 114 CYS SG : rot 180:sc= 0 USER MOD Single : B 119 HIS : no HD1:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl -175:sc= 0 (180deg=-0.0148) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 150:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.14) USER MOD Single : B 131 THR OG1 : rot 81:sc= 1.18 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 -8.858 -7.344 29.445 1.00 0.00 N ATOM 2 CA MET A 1 -8.527 -7.124 28.023 1.00 0.00 C ATOM 3 C MET A 1 -7.112 -6.583 27.860 1.00 0.00 C ATOM 4 O MET A 1 -6.569 -5.959 28.771 1.00 0.00 O ATOM 5 CB MET A 1 -9.576 -6.273 27.280 1.00 0.00 C ATOM 6 CG MET A 1 -9.390 -4.754 27.372 1.00 0.00 C ATOM 7 SD MET A 1 -9.329 -4.055 29.040 1.00 0.00 S ATOM 8 CE MET A 1 -11.064 -4.210 29.535 1.00 0.00 C ATOM 0 H1 MET A 1 -9.645 -8.020 29.518 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.027 -7.726 29.940 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.135 -6.441 29.881 1.00 0.00 H new ATOM 0 HA MET A 1 -8.558 -8.101 27.541 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.568 -6.558 26.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.562 -6.524 27.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.467 -4.490 26.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.206 -4.276 26.830 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.190 -3.820 30.545 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.691 -3.643 28.846 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.357 -5.260 29.512 1.00 0.00 H new ATOM 20 N GLY A 2 -6.519 -6.787 26.685 1.00 0.00 N ATOM 21 CA GLY A 2 -5.163 -6.331 26.350 1.00 0.00 C ATOM 22 C GLY A 2 -4.610 -6.943 25.068 1.00 0.00 C ATOM 23 O GLY A 2 -3.904 -6.255 24.335 1.00 0.00 O ATOM 0 H GLY A 2 -6.974 -7.284 25.920 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.168 -5.246 26.251 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.494 -6.573 27.176 1.00 0.00 H new ATOM 27 N VAL A 3 -4.965 -8.195 24.771 1.00 0.00 N ATOM 28 CA VAL A 3 -4.651 -8.870 23.500 1.00 0.00 C ATOM 29 C VAL A 3 -5.823 -9.708 22.973 1.00 0.00 C ATOM 30 O VAL A 3 -6.445 -10.475 23.710 1.00 0.00 O ATOM 31 CB VAL A 3 -3.382 -9.755 23.587 1.00 0.00 C ATOM 32 CG1 VAL A 3 -2.103 -8.905 23.628 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.351 -10.754 24.752 1.00 0.00 C ATOM 0 H VAL A 3 -5.490 -8.784 25.418 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.457 -8.062 22.795 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.424 -10.348 22.673 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.233 -9.559 23.689 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.039 -8.300 22.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.128 -8.252 24.501 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.421 -11.322 24.720 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.414 -10.214 25.697 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.196 -11.437 24.668 1.00 0.00 H new ATOM 43 N ASN A 4 -6.084 -9.574 21.670 1.00 0.00 N ATOM 44 CA ASN A 4 -6.957 -10.434 20.866 1.00 0.00 C ATOM 45 C ASN A 4 -6.258 -10.790 19.535 1.00 0.00 C ATOM 46 O ASN A 4 -5.675 -9.932 18.871 1.00 0.00 O ATOM 47 CB ASN A 4 -8.305 -9.724 20.637 1.00 0.00 C ATOM 48 CG ASN A 4 -9.367 -10.613 19.988 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.191 -11.807 19.781 1.00 0.00 O ATOM 50 ND2 ASN A 4 -10.518 -10.064 19.652 1.00 0.00 N ATOM 0 H ASN A 4 -5.670 -8.823 21.118 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.155 -11.367 21.393 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.682 -9.362 21.594 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.142 -8.849 20.007 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.249 -10.633 19.225 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.677 -9.070 19.819 1.00 0.00 H new ATOM 57 N SER A 5 -6.283 -12.065 19.153 1.00 0.00 N ATOM 58 CA SER A 5 -5.562 -12.624 18.001 1.00 0.00 C ATOM 59 C SER A 5 -6.503 -12.867 16.810 1.00 0.00 C ATOM 60 O SER A 5 -7.530 -13.535 16.967 1.00 0.00 O ATOM 61 CB SER A 5 -4.915 -13.961 18.402 1.00 0.00 C ATOM 62 OG SER A 5 -4.046 -13.805 19.511 1.00 0.00 O ATOM 0 H SER A 5 -6.826 -12.768 19.654 1.00 0.00 H new ATOM 0 HA SER A 5 -4.802 -11.903 17.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.693 -14.684 18.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.359 -14.365 17.556 1.00 0.00 H new ATOM 0 HG SER A 5 -3.652 -14.672 19.742 1.00 0.00 H new ATOM 68 N VAL A 6 -6.154 -12.380 15.613 1.00 0.00 N ATOM 69 CA VAL A 6 -6.941 -12.580 14.380 1.00 0.00 C ATOM 70 C VAL A 6 -6.043 -12.910 13.184 1.00 0.00 C ATOM 71 O VAL A 6 -4.914 -12.423 13.082 1.00 0.00 O ATOM 72 CB VAL A 6 -7.859 -11.365 14.098 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.087 -10.091 13.733 1.00 0.00 C ATOM 74 CG2 VAL A 6 -8.899 -11.644 12.999 1.00 0.00 C ATOM 0 H VAL A 6 -5.308 -11.829 15.467 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.587 -13.444 14.537 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.375 -11.199 15.044 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.791 -9.279 13.548 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.426 -9.818 14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.495 -10.269 12.835 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.513 -10.757 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.388 -11.897 12.070 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.534 -12.477 13.302 1.00 0.00 H new ATOM 84 N THR A 7 -6.571 -13.743 12.281 1.00 0.00 N ATOM 85 CA THR A 7 -5.924 -14.147 11.026 1.00 0.00 C ATOM 86 C THR A 7 -6.724 -13.604 9.854 1.00 0.00 C ATOM 87 O THR A 7 -7.950 -13.650 9.841 1.00 0.00 O ATOM 88 CB THR A 7 -5.806 -15.673 10.929 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.145 -16.145 12.077 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.973 -16.114 9.723 1.00 0.00 C ATOM 0 H THR A 7 -7.489 -14.169 12.406 1.00 0.00 H new ATOM 0 HA THR A 7 -4.915 -13.736 11.003 1.00 0.00 H new ATOM 0 HB THR A 7 -6.815 -16.073 10.830 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.064 -17.120 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.918 -17.202 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.440 -15.752 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.967 -15.702 9.805 1.00 0.00 H new ATOM 98 N ILE A 8 -6.027 -13.094 8.849 1.00 0.00 N ATOM 99 CA ILE A 8 -6.588 -12.546 7.615 1.00 0.00 C ATOM 100 C ILE A 8 -5.889 -13.206 6.420 1.00 0.00 C ATOM 101 O ILE A 8 -4.707 -12.993 6.150 1.00 0.00 O ATOM 102 CB ILE A 8 -6.501 -10.996 7.625 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.143 -10.438 8.923 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.179 -10.409 6.374 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.354 -8.921 8.976 1.00 0.00 C ATOM 0 H ILE A 8 -5.008 -13.047 8.869 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.650 -12.775 7.530 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.452 -10.699 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.109 -10.923 9.063 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.516 -10.726 9.767 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.108 -9.322 6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.681 -10.785 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.228 -10.704 6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.808 -8.650 9.929 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.393 -8.416 8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.011 -8.616 8.161 1.00 0.00 H new ATOM 117 N SER A 9 -6.624 -14.019 5.675 1.00 0.00 N ATOM 118 CA SER A 9 -6.226 -14.508 4.357 1.00 0.00 C ATOM 119 C SER A 9 -6.141 -13.305 3.403 1.00 0.00 C ATOM 120 O SER A 9 -7.144 -12.880 2.828 1.00 0.00 O ATOM 121 CB SER A 9 -7.240 -15.552 3.860 1.00 0.00 C ATOM 122 OG SER A 9 -7.396 -16.614 4.792 1.00 0.00 O ATOM 0 H SER A 9 -7.535 -14.367 5.974 1.00 0.00 H new ATOM 0 HA SER A 9 -5.252 -14.995 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.204 -15.072 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.910 -15.953 2.902 1.00 0.00 H new ATOM 0 HG SER A 9 -8.048 -17.259 4.447 1.00 0.00 H new ATOM 128 N VAL A 10 -4.957 -12.696 3.290 1.00 0.00 N ATOM 129 CA VAL A 10 -4.634 -11.580 2.394 1.00 0.00 C ATOM 130 C VAL A 10 -4.448 -12.075 0.949 1.00 0.00 C ATOM 131 O VAL A 10 -3.360 -12.053 0.378 1.00 0.00 O ATOM 132 CB VAL A 10 -3.432 -10.763 2.910 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.848 -9.897 4.112 1.00 0.00 C ATOM 134 CG2 VAL A 10 -2.215 -11.620 3.280 1.00 0.00 C ATOM 0 H VAL A 10 -4.155 -12.983 3.851 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.480 -10.893 2.386 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.123 -10.128 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.989 -9.327 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.639 -9.211 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.211 -10.539 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.410 -10.976 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.490 -12.322 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.878 -12.172 2.402 1.00 0.00 H new ATOM 144 N GLU A 11 -5.554 -12.558 0.387 1.00 0.00 N ATOM 145 CA GLU A 11 -5.678 -13.197 -0.932 1.00 0.00 C ATOM 146 C GLU A 11 -4.953 -12.485 -2.091 1.00 0.00 C ATOM 147 O GLU A 11 -4.469 -13.170 -2.997 1.00 0.00 O ATOM 148 CB GLU A 11 -7.172 -13.307 -1.290 1.00 0.00 C ATOM 149 CG GLU A 11 -7.952 -14.317 -0.434 1.00 0.00 C ATOM 150 CD GLU A 11 -7.408 -15.738 -0.571 1.00 0.00 C ATOM 151 OE1 GLU A 11 -7.074 -16.162 -1.703 1.00 0.00 O ATOM 152 OE2 GLU A 11 -7.296 -16.454 0.448 1.00 0.00 O ATOM 0 H GLU A 11 -6.451 -12.513 0.870 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.190 -14.166 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.633 -12.325 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.263 -13.590 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.908 -14.013 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.002 -14.303 -0.726 1.00 0.00 H new ATOM 159 N GLY A 12 -4.870 -11.147 -2.079 1.00 0.00 N ATOM 160 CA GLY A 12 -4.284 -10.325 -3.157 1.00 0.00 C ATOM 161 C GLY A 12 -2.816 -9.923 -2.958 1.00 0.00 C ATOM 162 O GLY A 12 -2.244 -9.270 -3.825 1.00 0.00 O ATOM 0 H GLY A 12 -5.217 -10.588 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.368 -10.874 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.880 -9.418 -3.263 1.00 0.00 H new ATOM 166 N MET A 13 -2.208 -10.295 -1.829 1.00 0.00 N ATOM 167 CA MET A 13 -0.799 -10.050 -1.470 1.00 0.00 C ATOM 168 C MET A 13 0.072 -11.264 -1.840 1.00 0.00 C ATOM 169 O MET A 13 -0.408 -12.393 -1.720 1.00 0.00 O ATOM 170 CB MET A 13 -0.733 -9.738 0.027 1.00 0.00 C ATOM 171 CG MET A 13 0.607 -9.118 0.440 1.00 0.00 C ATOM 172 SD MET A 13 0.874 -9.130 2.226 1.00 0.00 S ATOM 173 CE MET A 13 1.274 -10.886 2.406 1.00 0.00 C ATOM 0 H MET A 13 -2.707 -10.802 -1.098 1.00 0.00 H new ATOM 0 HA MET A 13 -0.407 -9.200 -2.029 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.541 -9.055 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.895 -10.655 0.593 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.417 -9.662 -0.046 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.651 -8.090 0.079 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.630 -11.076 3.418 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.382 -11.484 2.217 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.051 -11.157 1.691 1.00 0.00 H new ATOM 183 N THR A 14 1.305 -11.069 -2.336 1.00 0.00 N ATOM 184 CA THR A 14 2.189 -12.153 -2.826 1.00 0.00 C ATOM 185 C THR A 14 3.696 -11.838 -2.871 1.00 0.00 C ATOM 186 O THR A 14 4.452 -12.722 -3.284 1.00 0.00 O ATOM 187 CB THR A 14 1.660 -12.683 -4.163 1.00 0.00 C ATOM 188 OG1 THR A 14 2.303 -13.891 -4.475 1.00 0.00 O ATOM 189 CG2 THR A 14 1.908 -11.689 -5.280 1.00 0.00 C ATOM 0 H THR A 14 1.727 -10.143 -2.411 1.00 0.00 H new ATOM 0 HA THR A 14 2.140 -12.935 -2.069 1.00 0.00 H new ATOM 0 HB THR A 14 0.586 -12.840 -4.067 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.227 -13.863 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.523 -12.091 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.401 -10.751 -5.052 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.979 -11.509 -5.376 1.00 0.00 H new ATOM 197 N CYS A 15 4.130 -10.628 -2.496 1.00 0.00 N ATOM 198 CA CYS A 15 5.441 -10.081 -2.851 1.00 0.00 C ATOM 199 C CYS A 15 6.200 -9.357 -1.682 1.00 0.00 C ATOM 200 O CYS A 15 5.723 -9.241 -0.546 1.00 0.00 O ATOM 201 CB CYS A 15 5.130 -9.259 -4.121 1.00 0.00 C ATOM 202 SG CYS A 15 6.567 -8.467 -4.885 1.00 0.00 S ATOM 0 H CYS A 15 3.569 -9.993 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 15 6.195 -10.842 -3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.661 -9.914 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.400 -8.490 -3.869 1.00 0.00 H new ATOM 207 N ASN A 16 7.438 -8.937 -1.975 1.00 0.00 N ATOM 208 CA ASN A 16 8.537 -8.690 -1.030 1.00 0.00 C ATOM 209 C ASN A 16 8.457 -7.359 -0.260 1.00 0.00 C ATOM 210 O ASN A 16 8.636 -7.336 0.959 1.00 0.00 O ATOM 211 CB ASN A 16 9.858 -8.743 -1.819 1.00 0.00 C ATOM 212 CG ASN A 16 11.076 -8.648 -0.905 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.704 -7.601 -0.767 1.00 0.00 O ATOM 214 ND2 ASN A 16 11.441 -9.738 -0.262 1.00 0.00 N ATOM 0 H ASN A 16 7.717 -8.749 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 16 8.469 -9.463 -0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.903 -9.672 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.882 -7.926 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.251 -9.718 0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.913 -10.602 -0.383 1.00 0.00 H new ATOM 221 N SER A 17 8.199 -6.238 -0.937 1.00 0.00 N ATOM 222 CA SER A 17 8.035 -4.938 -0.256 1.00 0.00 C ATOM 223 C SER A 17 6.607 -4.768 0.285 1.00 0.00 C ATOM 224 O SER A 17 6.352 -3.945 1.167 1.00 0.00 O ATOM 225 CB SER A 17 8.386 -3.748 -1.165 1.00 0.00 C ATOM 226 OG SER A 17 9.393 -4.039 -2.120 1.00 0.00 O ATOM 0 H SER A 17 8.098 -6.197 -1.951 1.00 0.00 H new ATOM 0 HA SER A 17 8.738 -4.943 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.486 -3.423 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.715 -2.914 -0.546 1.00 0.00 H new ATOM 0 HG SER A 17 8.979 -4.203 -2.993 1.00 0.00 H new ATOM 232 N CYS A 18 5.669 -5.572 -0.213 1.00 0.00 N ATOM 233 CA CYS A 18 4.279 -5.593 0.172 1.00 0.00 C ATOM 234 C CYS A 18 4.140 -6.011 1.657 1.00 0.00 C ATOM 235 O CYS A 18 3.509 -5.304 2.443 1.00 0.00 O ATOM 236 CB CYS A 18 3.597 -6.533 -0.840 1.00 0.00 C ATOM 237 SG CYS A 18 4.138 -6.197 -2.548 1.00 0.00 S ATOM 0 H CYS A 18 5.881 -6.260 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 18 3.793 -4.618 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.823 -7.568 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.515 -6.417 -0.772 1.00 0.00 H new ATOM 242 N VAL A 19 4.823 -7.085 2.067 1.00 0.00 N ATOM 243 CA VAL A 19 4.899 -7.503 3.485 1.00 0.00 C ATOM 244 C VAL A 19 5.550 -6.444 4.390 1.00 0.00 C ATOM 245 O VAL A 19 5.024 -6.161 5.469 1.00 0.00 O ATOM 246 CB VAL A 19 5.591 -8.871 3.688 1.00 0.00 C ATOM 247 CG1 VAL A 19 4.648 -9.989 3.233 1.00 0.00 C ATOM 248 CG2 VAL A 19 6.943 -9.018 2.981 1.00 0.00 C ATOM 0 H VAL A 19 5.340 -7.693 1.432 1.00 0.00 H new ATOM 0 HA VAL A 19 3.858 -7.613 3.788 1.00 0.00 H new ATOM 0 HB VAL A 19 5.808 -8.941 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.133 -10.955 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.731 -9.954 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.408 -9.855 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.352 -10.008 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.808 -8.891 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.632 -8.259 3.352 1.00 0.00 H new ATOM 258 N TRP A 20 6.616 -5.774 3.928 1.00 0.00 N ATOM 259 CA TRP A 20 7.209 -4.629 4.633 1.00 0.00 C ATOM 260 C TRP A 20 6.195 -3.483 4.803 1.00 0.00 C ATOM 261 O TRP A 20 6.128 -2.858 5.864 1.00 0.00 O ATOM 262 CB TRP A 20 8.459 -4.159 3.871 1.00 0.00 C ATOM 263 CG TRP A 20 9.130 -2.949 4.443 1.00 0.00 C ATOM 264 CD1 TRP A 20 10.154 -2.973 5.321 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.853 -1.531 4.196 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.514 -1.683 5.658 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.755 -0.753 4.982 1.00 0.00 C ATOM 268 CE3 TRP A 20 7.934 -0.822 3.387 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.749 0.650 4.967 1.00 0.00 C ATOM 270 CZ3 TRP A 20 7.915 0.587 3.371 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.820 1.323 4.156 1.00 0.00 C ATOM 0 H TRP A 20 7.090 -6.010 3.057 1.00 0.00 H new ATOM 0 HA TRP A 20 7.498 -4.943 5.636 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.179 -4.977 3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.179 -3.947 2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.622 -3.868 5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.250 -1.448 6.324 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.236 -1.370 2.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.450 1.206 5.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.199 1.106 2.751 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.801 2.403 4.136 1.00 0.00 H new ATOM 282 N THR A 21 5.355 -3.260 3.782 1.00 0.00 N ATOM 283 CA THR A 21 4.279 -2.260 3.786 1.00 0.00 C ATOM 284 C THR A 21 3.224 -2.597 4.836 1.00 0.00 C ATOM 285 O THR A 21 2.850 -1.705 5.590 1.00 0.00 O ATOM 286 CB THR A 21 3.657 -2.090 2.394 1.00 0.00 C ATOM 287 OG1 THR A 21 4.675 -1.840 1.449 1.00 0.00 O ATOM 288 CG2 THR A 21 2.698 -0.902 2.368 1.00 0.00 C ATOM 0 H THR A 21 5.407 -3.784 2.908 1.00 0.00 H new ATOM 0 HA THR A 21 4.721 -1.301 4.055 1.00 0.00 H new ATOM 0 HB THR A 21 3.116 -3.006 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.179 -2.664 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.270 -0.802 1.371 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.899 -1.064 3.092 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.240 0.009 2.623 1.00 0.00 H new ATOM 296 N ILE A 22 2.801 -3.863 4.967 1.00 0.00 N ATOM 297 CA ILE A 22 1.902 -4.281 6.069 1.00 0.00 C ATOM 298 C ILE A 22 2.517 -3.952 7.436 1.00 0.00 C ATOM 299 O ILE A 22 1.830 -3.419 8.305 1.00 0.00 O ATOM 300 CB ILE A 22 1.533 -5.788 6.018 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.031 -6.311 4.654 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.477 -6.079 7.106 1.00 0.00 C ATOM 303 CD1 ILE A 22 -0.196 -5.607 4.067 1.00 0.00 C ATOM 0 H ILE A 22 3.062 -4.616 4.331 1.00 0.00 H new ATOM 0 HA ILE A 22 0.982 -3.714 5.932 1.00 0.00 H new ATOM 0 HB ILE A 22 2.465 -6.324 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.847 -6.232 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.800 -7.371 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.209 -7.135 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.886 -5.832 8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.411 -5.475 6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.453 -6.061 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.036 -5.708 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.027 -4.550 3.919 1.00 0.00 H new ATOM 315 N GLU A 23 3.806 -4.240 7.616 1.00 0.00 N ATOM 316 CA GLU A 23 4.522 -4.045 8.876 1.00 0.00 C ATOM 317 C GLU A 23 4.616 -2.554 9.272 1.00 0.00 C ATOM 318 O GLU A 23 4.461 -2.228 10.450 1.00 0.00 O ATOM 319 CB GLU A 23 5.901 -4.717 8.751 1.00 0.00 C ATOM 320 CG GLU A 23 6.552 -5.050 10.098 1.00 0.00 C ATOM 321 CD GLU A 23 7.999 -5.495 9.901 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.867 -4.615 9.693 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.303 -6.709 9.941 1.00 0.00 O ATOM 0 H GLU A 23 4.393 -4.623 6.875 1.00 0.00 H new ATOM 0 HA GLU A 23 3.968 -4.513 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.796 -5.635 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.565 -4.060 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.520 -4.176 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.988 -5.839 10.595 1.00 0.00 H new ATOM 330 N GLN A 24 4.805 -1.640 8.311 1.00 0.00 N ATOM 331 CA GLN A 24 4.700 -0.190 8.543 1.00 0.00 C ATOM 332 C GLN A 24 3.249 0.271 8.770 1.00 0.00 C ATOM 333 O GLN A 24 3.012 1.129 9.619 1.00 0.00 O ATOM 334 CB GLN A 24 5.307 0.593 7.362 1.00 0.00 C ATOM 335 CG GLN A 24 6.838 0.517 7.234 1.00 0.00 C ATOM 336 CD GLN A 24 7.577 1.144 8.420 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.628 2.360 8.587 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.152 0.344 9.291 1.00 0.00 N ATOM 0 H GLN A 24 5.036 -1.884 7.348 1.00 0.00 H new ATOM 0 HA GLN A 24 5.261 0.018 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.864 0.223 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.019 1.640 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.136 -0.527 7.140 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.144 1.020 6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.113 -0.667 9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.637 0.734 10.099 1.00 0.00 H new ATOM 347 N GLN A 25 2.274 -0.265 8.026 1.00 0.00 N ATOM 348 CA GLN A 25 0.866 0.144 8.108 1.00 0.00 C ATOM 349 C GLN A 25 0.214 -0.255 9.430 1.00 0.00 C ATOM 350 O GLN A 25 -0.474 0.554 10.050 1.00 0.00 O ATOM 351 CB GLN A 25 0.077 -0.510 6.962 1.00 0.00 C ATOM 352 CG GLN A 25 0.233 0.242 5.635 1.00 0.00 C ATOM 353 CD GLN A 25 -0.639 1.493 5.604 1.00 0.00 C ATOM 354 OE1 GLN A 25 -0.157 2.621 5.642 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.944 1.340 5.595 1.00 0.00 N ATOM 0 H GLN A 25 2.442 -1.003 7.342 1.00 0.00 H new ATOM 0 HA GLN A 25 0.845 1.231 8.035 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.414 -1.539 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.979 -0.552 7.230 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.277 0.520 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.038 -0.414 4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.348 0.404 5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.554 2.157 5.620 1.00 0.00 H new ATOM 364 N ILE A 26 0.401 -1.505 9.856 1.00 0.00 N ATOM 365 CA ILE A 26 -0.172 -2.012 11.106 1.00 0.00 C ATOM 366 C ILE A 26 0.528 -1.361 12.303 1.00 0.00 C ATOM 367 O ILE A 26 -0.155 -0.867 13.202 1.00 0.00 O ATOM 368 CB ILE A 26 -0.122 -3.558 11.097 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.017 -4.172 9.989 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.499 -4.154 12.458 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.531 -3.951 10.145 1.00 0.00 C ATOM 0 H ILE A 26 0.953 -2.194 9.346 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.223 -1.739 11.198 1.00 0.00 H new ATOM 0 HB ILE A 26 0.914 -3.818 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.707 -3.759 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.829 -5.245 9.951 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.450 -5.242 12.405 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.197 -3.796 13.217 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.512 -3.849 12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.055 -4.423 9.314 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.868 -4.391 11.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.744 -2.882 10.148 1.00 0.00 H new ATOM 383 N GLY A 27 1.861 -1.238 12.267 1.00 0.00 N ATOM 384 CA GLY A 27 2.664 -0.620 13.334 1.00 0.00 C ATOM 385 C GLY A 27 2.347 0.854 13.617 1.00 0.00 C ATOM 386 O GLY A 27 2.743 1.379 14.657 1.00 0.00 O ATOM 0 H GLY A 27 2.423 -1.570 11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.519 -1.189 14.252 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.718 -0.704 13.069 1.00 0.00 H new ATOM 390 N LYS A 28 1.586 1.530 12.747 1.00 0.00 N ATOM 391 CA LYS A 28 1.052 2.869 13.007 1.00 0.00 C ATOM 392 C LYS A 28 -0.204 2.846 13.891 1.00 0.00 C ATOM 393 O LYS A 28 -0.462 3.834 14.582 1.00 0.00 O ATOM 394 CB LYS A 28 0.800 3.559 11.651 1.00 0.00 C ATOM 395 CG LYS A 28 0.385 5.041 11.742 1.00 0.00 C ATOM 396 CD LYS A 28 1.397 5.967 12.433 1.00 0.00 C ATOM 397 CE LYS A 28 2.703 6.050 11.635 1.00 0.00 C ATOM 398 NZ LYS A 28 3.657 7.010 12.232 1.00 0.00 N ATOM 0 H LYS A 28 1.322 1.158 11.835 1.00 0.00 H new ATOM 0 HA LYS A 28 1.784 3.441 13.578 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.706 3.487 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.021 3.011 11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.207 5.414 10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.563 5.103 12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.969 6.964 12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.604 5.599 13.438 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.163 5.063 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.483 6.347 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.526 7.036 11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.229 7.957 12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.888 6.713 13.202 1.00 0.00 H new ATOM 412 N VAL A 29 -0.954 1.741 13.938 1.00 0.00 N ATOM 413 CA VAL A 29 -2.206 1.673 14.703 1.00 0.00 C ATOM 414 C VAL A 29 -1.893 1.384 16.174 1.00 0.00 C ATOM 415 O VAL A 29 -1.654 0.248 16.572 1.00 0.00 O ATOM 416 CB VAL A 29 -3.223 0.659 14.141 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.591 0.900 14.803 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.398 0.743 12.614 1.00 0.00 C ATOM 0 H VAL A 29 -0.715 0.876 13.453 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.689 2.646 14.611 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.831 -0.333 14.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.316 0.187 14.411 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.501 0.770 15.882 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.926 1.914 14.586 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.128 0.001 12.290 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.748 1.739 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.442 0.549 12.127 1.00 0.00 H new ATOM 428 N ASN A 30 -1.905 2.455 16.964 1.00 0.00 N ATOM 429 CA ASN A 30 -1.611 2.543 18.410 1.00 0.00 C ATOM 430 C ASN A 30 -1.836 1.255 19.244 1.00 0.00 C ATOM 431 O ASN A 30 -0.962 0.858 20.019 1.00 0.00 O ATOM 432 CB ASN A 30 -2.462 3.694 18.984 1.00 0.00 C ATOM 433 CG ASN A 30 -2.022 4.100 20.388 1.00 0.00 C ATOM 434 OD1 ASN A 30 -2.400 3.493 21.384 1.00 0.00 O ATOM 435 ND2 ASN A 30 -1.214 5.134 20.497 1.00 0.00 N ATOM 0 H ASN A 30 -2.141 3.371 16.583 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.538 2.715 18.492 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.395 4.557 18.322 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.509 3.391 19.008 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.896 5.438 21.417 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.906 5.631 19.661 1.00 0.00 H new ATOM 442 N GLY A 31 -2.985 0.583 19.074 1.00 0.00 N ATOM 443 CA GLY A 31 -3.408 -0.568 19.882 1.00 0.00 C ATOM 444 C GLY A 31 -2.709 -1.899 19.584 1.00 0.00 C ATOM 445 O GLY A 31 -2.852 -2.822 20.382 1.00 0.00 O ATOM 0 H GLY A 31 -3.662 0.832 18.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.249 -0.326 20.933 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.481 -0.706 19.746 1.00 0.00 H new ATOM 449 N VAL A 32 -1.944 -2.031 18.497 1.00 0.00 N ATOM 450 CA VAL A 32 -1.270 -3.300 18.124 1.00 0.00 C ATOM 451 C VAL A 32 -0.348 -3.858 19.217 1.00 0.00 C ATOM 452 O VAL A 32 0.240 -3.109 19.998 1.00 0.00 O ATOM 453 CB VAL A 32 -0.480 -3.214 16.803 1.00 0.00 C ATOM 454 CG1 VAL A 32 -1.450 -2.934 15.652 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.682 -2.206 16.835 1.00 0.00 C ATOM 0 H VAL A 32 -1.768 -1.267 17.844 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.102 -3.991 17.990 1.00 0.00 H new ATOM 0 HB VAL A 32 0.002 -4.179 16.648 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.895 -2.872 14.716 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.181 -3.740 15.588 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.965 -1.990 15.832 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.188 -2.204 15.870 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.293 -1.209 17.043 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.389 -2.490 17.615 1.00 0.00 H new ATOM 465 N HIS A 33 -0.212 -5.184 19.246 1.00 0.00 N ATOM 466 CA HIS A 33 0.742 -5.915 20.087 1.00 0.00 C ATOM 467 C HIS A 33 1.802 -6.656 19.240 1.00 0.00 C ATOM 468 O HIS A 33 2.987 -6.600 19.574 1.00 0.00 O ATOM 469 CB HIS A 33 -0.062 -6.884 20.970 1.00 0.00 C ATOM 470 CG HIS A 33 0.765 -7.620 21.996 1.00 0.00 C ATOM 471 ND1 HIS A 33 0.951 -7.242 23.305 1.00 0.00 N ATOM 472 CD2 HIS A 33 1.448 -8.795 21.816 1.00 0.00 C ATOM 473 CE1 HIS A 33 1.745 -8.149 23.892 1.00 0.00 C ATOM 474 NE2 HIS A 33 2.091 -9.120 23.020 1.00 0.00 N ATOM 0 H HIS A 33 -0.781 -5.801 18.666 1.00 0.00 H new ATOM 0 HA HIS A 33 1.299 -5.217 20.712 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.844 -6.325 21.484 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.559 -7.613 20.330 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.485 -9.372 20.904 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.065 -8.108 24.923 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.694 -9.923 23.199 1.00 0.00 H new ATOM 482 N HIS A 34 1.424 -7.330 18.143 1.00 0.00 N ATOM 483 CA HIS A 34 2.377 -7.954 17.207 1.00 0.00 C ATOM 484 C HIS A 34 1.774 -8.163 15.803 1.00 0.00 C ATOM 485 O HIS A 34 0.610 -8.557 15.693 1.00 0.00 O ATOM 486 CB HIS A 34 2.879 -9.295 17.773 1.00 0.00 C ATOM 487 CG HIS A 34 3.979 -9.918 16.942 1.00 0.00 C ATOM 488 ND1 HIS A 34 3.845 -10.926 16.013 1.00 0.00 N ATOM 489 CD2 HIS A 34 5.303 -9.572 16.962 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.059 -11.183 15.499 1.00 0.00 C ATOM 491 NE2 HIS A 34 5.988 -10.370 16.036 1.00 0.00 N ATOM 0 H HIS A 34 0.448 -7.459 17.878 1.00 0.00 H new ATOM 0 HA HIS A 34 3.216 -7.266 17.098 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.243 -9.140 18.789 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.042 -9.991 17.837 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.746 -8.811 17.587 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.262 -11.939 14.756 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.983 -10.341 15.815 1.00 0.00 H new ATOM 499 N ILE A 35 2.564 -7.967 14.736 1.00 0.00 N ATOM 500 CA ILE A 35 2.210 -8.304 13.340 1.00 0.00 C ATOM 501 C ILE A 35 3.159 -9.349 12.744 1.00 0.00 C ATOM 502 O ILE A 35 4.377 -9.218 12.829 1.00 0.00 O ATOM 503 CB ILE A 35 2.113 -7.023 12.459 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.764 -7.299 10.974 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.311 -6.064 12.593 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.928 -7.559 10.000 1.00 0.00 C ATOM 0 H ILE A 35 3.495 -7.558 14.818 1.00 0.00 H new ATOM 0 HA ILE A 35 1.221 -8.761 13.353 1.00 0.00 H new ATOM 0 HB ILE A 35 1.258 -6.497 12.884 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.100 -8.163 10.941 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.197 -6.447 10.599 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.160 -5.200 11.945 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.397 -5.731 13.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.225 -6.581 12.301 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.533 -7.736 9.000 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.588 -6.691 9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.489 -8.434 10.329 1.00 0.00 H new ATOM 518 N LYS A 36 2.592 -10.362 12.083 1.00 0.00 N ATOM 519 CA LYS A 36 3.305 -11.311 11.217 1.00 0.00 C ATOM 520 C LYS A 36 2.592 -11.462 9.855 1.00 0.00 C ATOM 521 O LYS A 36 1.362 -11.425 9.799 1.00 0.00 O ATOM 522 CB LYS A 36 3.390 -12.656 11.959 1.00 0.00 C ATOM 523 CG LYS A 36 4.144 -13.725 11.159 1.00 0.00 C ATOM 524 CD LYS A 36 4.266 -15.022 11.963 1.00 0.00 C ATOM 525 CE LYS A 36 5.019 -16.081 11.155 1.00 0.00 C ATOM 526 NZ LYS A 36 4.231 -16.599 10.011 1.00 0.00 N ATOM 0 H LYS A 36 1.591 -10.552 12.136 1.00 0.00 H new ATOM 0 HA LYS A 36 4.309 -10.944 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.887 -12.507 12.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.383 -13.012 12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.622 -13.920 10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.137 -13.358 10.900 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.790 -14.829 12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.274 -15.391 12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.951 -15.654 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.286 -16.910 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.754 -17.371 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.316 -16.956 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.070 -15.834 9.326 1.00 0.00 H new ATOM 540 N VAL A 37 3.334 -11.680 8.767 1.00 0.00 N ATOM 541 CA VAL A 37 2.788 -11.910 7.414 1.00 0.00 C ATOM 542 C VAL A 37 3.571 -12.975 6.635 1.00 0.00 C ATOM 543 O VAL A 37 4.799 -12.979 6.621 1.00 0.00 O ATOM 544 CB VAL A 37 2.711 -10.604 6.583 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.448 -9.806 6.922 1.00 0.00 C ATOM 546 CG2 VAL A 37 3.936 -9.689 6.751 1.00 0.00 C ATOM 0 H VAL A 37 4.353 -11.703 8.795 1.00 0.00 H new ATOM 0 HA VAL A 37 1.775 -12.281 7.570 1.00 0.00 H new ATOM 0 HB VAL A 37 2.685 -10.932 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.421 -8.895 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.567 -10.409 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.456 -9.545 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.810 -8.796 6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.034 -9.401 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.833 -10.221 6.435 1.00 0.00 H new ATOM 556 N SER A 38 2.838 -13.872 5.969 1.00 0.00 N ATOM 557 CA SER A 38 3.357 -14.909 5.064 1.00 0.00 C ATOM 558 C SER A 38 2.906 -14.631 3.618 1.00 0.00 C ATOM 559 O SER A 38 1.721 -14.779 3.295 1.00 0.00 O ATOM 560 CB SER A 38 2.842 -16.292 5.495 1.00 0.00 C ATOM 561 OG SER A 38 3.206 -16.612 6.828 1.00 0.00 O ATOM 0 H SER A 38 1.821 -13.899 6.047 1.00 0.00 H new ATOM 0 HA SER A 38 4.446 -14.893 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.756 -16.318 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.238 -17.051 4.821 1.00 0.00 H new ATOM 0 HG SER A 38 2.856 -17.498 7.059 1.00 0.00 H new ATOM 567 N LEU A 39 3.834 -14.227 2.742 1.00 0.00 N ATOM 568 CA LEU A 39 3.539 -13.835 1.352 1.00 0.00 C ATOM 569 C LEU A 39 3.299 -15.021 0.416 1.00 0.00 C ATOM 570 O LEU A 39 2.527 -14.904 -0.529 1.00 0.00 O ATOM 571 CB LEU A 39 4.659 -12.911 0.828 1.00 0.00 C ATOM 572 CG LEU A 39 6.055 -13.558 0.652 1.00 0.00 C ATOM 573 CD1 LEU A 39 6.330 -13.955 -0.805 1.00 0.00 C ATOM 574 CD2 LEU A 39 7.156 -12.596 1.123 1.00 0.00 C ATOM 0 H LEU A 39 4.824 -14.161 2.978 1.00 0.00 H new ATOM 0 HA LEU A 39 2.594 -13.291 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.346 -12.505 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.756 -12.069 1.513 1.00 0.00 H new ATOM 0 HG LEU A 39 6.061 -14.462 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.320 -14.404 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.580 -14.674 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.285 -13.069 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.131 -13.066 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.114 -11.679 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.006 -12.359 2.176 1.00 0.00 H new ATOM 586 N GLU A 40 3.938 -16.156 0.692 1.00 0.00 N ATOM 587 CA GLU A 40 3.870 -17.369 -0.125 1.00 0.00 C ATOM 588 C GLU A 40 2.713 -18.283 0.295 1.00 0.00 C ATOM 589 O GLU A 40 2.140 -18.963 -0.552 1.00 0.00 O ATOM 590 CB GLU A 40 5.223 -18.110 -0.108 1.00 0.00 C ATOM 591 CG GLU A 40 5.685 -18.742 1.216 1.00 0.00 C ATOM 592 CD GLU A 40 5.982 -17.706 2.293 1.00 0.00 C ATOM 593 OE1 GLU A 40 5.038 -17.292 3.003 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.146 -17.261 2.433 1.00 0.00 O ATOM 0 H GLU A 40 4.534 -16.262 1.513 1.00 0.00 H new ATOM 0 HA GLU A 40 3.664 -17.067 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.180 -18.900 -0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.992 -17.407 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.914 -19.423 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.579 -19.339 1.036 1.00 0.00 H new ATOM 601 N GLU A 41 2.324 -18.258 1.575 1.00 0.00 N ATOM 602 CA GLU A 41 1.099 -18.912 2.060 1.00 0.00 C ATOM 603 C GLU A 41 -0.157 -18.021 1.937 1.00 0.00 C ATOM 604 O GLU A 41 -1.271 -18.533 2.055 1.00 0.00 O ATOM 605 CB GLU A 41 1.286 -19.383 3.511 1.00 0.00 C ATOM 606 CG GLU A 41 2.292 -20.539 3.624 1.00 0.00 C ATOM 607 CD GLU A 41 2.343 -21.114 5.038 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.313 -21.649 5.516 1.00 0.00 O ATOM 609 OE2 GLU A 41 3.411 -21.035 5.694 1.00 0.00 O ATOM 0 H GLU A 41 2.851 -17.782 2.308 1.00 0.00 H new ATOM 0 HA GLU A 41 0.928 -19.774 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.627 -18.547 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.324 -19.700 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.020 -21.327 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.283 -20.186 3.340 1.00 0.00 H new ATOM 616 N LYS A 42 0.002 -16.710 1.698 1.00 0.00 N ATOM 617 CA LYS A 42 -1.071 -15.714 1.500 1.00 0.00 C ATOM 618 C LYS A 42 -1.944 -15.520 2.765 1.00 0.00 C ATOM 619 O LYS A 42 -3.179 -15.491 2.704 1.00 0.00 O ATOM 620 CB LYS A 42 -1.893 -15.996 0.213 1.00 0.00 C ATOM 621 CG LYS A 42 -1.178 -15.625 -1.096 1.00 0.00 C ATOM 622 CD LYS A 42 -0.173 -16.650 -1.639 1.00 0.00 C ATOM 623 CE LYS A 42 0.693 -16.045 -2.755 1.00 0.00 C ATOM 624 NZ LYS A 42 -0.044 -15.796 -4.021 1.00 0.00 N ATOM 0 H LYS A 42 0.930 -16.291 1.634 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.588 -14.750 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.148 -17.055 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.831 -15.444 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.935 -15.450 -1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.655 -14.681 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.467 -17.000 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.708 -17.519 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.118 -15.105 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.528 -16.716 -2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.476 -15.101 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.133 -16.686 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.992 -15.426 -3.804 1.00 0.00 H new ATOM 638 N ASN A 43 -1.308 -15.347 3.932 1.00 0.00 N ATOM 639 CA ASN A 43 -2.000 -15.074 5.201 1.00 0.00 C ATOM 640 C ASN A 43 -1.231 -14.119 6.134 1.00 0.00 C ATOM 641 O ASN A 43 -0.002 -14.119 6.196 1.00 0.00 O ATOM 642 CB ASN A 43 -2.448 -16.374 5.903 1.00 0.00 C ATOM 643 CG ASN A 43 -1.325 -17.224 6.496 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.614 -16.817 7.408 1.00 0.00 O ATOM 645 ND2 ASN A 43 -1.167 -18.450 6.036 1.00 0.00 N ATOM 0 H ASN A 43 -0.293 -15.393 4.023 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.907 -14.530 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.143 -16.114 6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.000 -16.982 5.186 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.454 -19.058 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.758 -18.790 5.277 1.00 0.00 H new ATOM 652 N ALA A 44 -1.993 -13.284 6.840 1.00 0.00 N ATOM 653 CA ALA A 44 -1.549 -12.238 7.753 1.00 0.00 C ATOM 654 C ALA A 44 -2.095 -12.528 9.161 1.00 0.00 C ATOM 655 O ALA A 44 -3.293 -12.781 9.307 1.00 0.00 O ATOM 656 CB ALA A 44 -2.091 -10.914 7.187 1.00 0.00 C ATOM 0 H ALA A 44 -3.010 -13.326 6.783 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.463 -12.189 7.837 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.788 -10.091 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.691 -10.755 6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.179 -10.957 7.140 1.00 0.00 H new ATOM 662 N THR A 45 -1.239 -12.496 10.187 1.00 0.00 N ATOM 663 CA THR A 45 -1.542 -13.014 11.532 1.00 0.00 C ATOM 664 C THR A 45 -1.112 -11.998 12.576 1.00 0.00 C ATOM 665 O THR A 45 0.061 -11.636 12.662 1.00 0.00 O ATOM 666 CB THR A 45 -0.821 -14.346 11.753 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.016 -15.191 10.645 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.372 -15.073 12.974 1.00 0.00 C ATOM 0 H THR A 45 -0.301 -12.104 10.109 1.00 0.00 H new ATOM 0 HA THR A 45 -2.615 -13.182 11.623 1.00 0.00 H new ATOM 0 HB THR A 45 0.236 -14.120 11.895 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.550 -16.040 10.795 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.841 -16.016 13.106 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.235 -14.452 13.859 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.434 -15.272 12.831 1.00 0.00 H new ATOM 676 N ILE A 46 -2.056 -11.491 13.361 1.00 0.00 N ATOM 677 CA ILE A 46 -1.880 -10.217 14.077 1.00 0.00 C ATOM 678 C ILE A 46 -2.584 -10.229 15.440 1.00 0.00 C ATOM 679 O ILE A 46 -3.634 -10.864 15.605 1.00 0.00 O ATOM 680 CB ILE A 46 -2.294 -9.079 13.101 1.00 0.00 C ATOM 681 CG1 ILE A 46 -1.749 -7.673 13.420 1.00 0.00 C ATOM 682 CG2 ILE A 46 -3.801 -9.047 12.818 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.528 -6.801 14.409 1.00 0.00 C ATOM 0 H ILE A 46 -2.958 -11.940 13.523 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.840 -10.043 14.355 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.781 -9.364 12.182 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.736 -7.788 13.805 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.673 -7.125 12.481 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.025 -8.231 12.131 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.107 -9.993 12.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.343 -8.894 13.751 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.020 -5.844 14.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.536 -6.632 14.029 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.584 -7.306 15.374 1.00 0.00 H new ATOM 695 N ILE A 47 -1.972 -9.575 16.429 1.00 0.00 N ATOM 696 CA ILE A 47 -2.534 -9.357 17.773 1.00 0.00 C ATOM 697 C ILE A 47 -2.669 -7.856 18.053 1.00 0.00 C ATOM 698 O ILE A 47 -1.709 -7.102 17.869 1.00 0.00 O ATOM 699 CB ILE A 47 -1.678 -10.026 18.876 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.422 -11.524 18.600 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.366 -9.849 20.244 1.00 0.00 C ATOM 702 CD1 ILE A 47 -0.752 -12.255 19.774 1.00 0.00 C ATOM 0 H ILE A 47 -1.043 -9.168 16.318 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.520 -9.822 17.793 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.706 -9.533 18.880 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.370 -12.011 18.372 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.793 -11.621 17.715 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.762 -10.321 21.019 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.472 -8.787 20.463 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.351 -10.314 20.219 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.602 -13.302 19.512 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.212 -11.793 19.988 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.390 -12.189 20.655 1.00 0.00 H new ATOM 714 N TYR A 48 -3.837 -7.449 18.552 1.00 0.00 N ATOM 715 CA TYR A 48 -4.218 -6.066 18.859 1.00 0.00 C ATOM 716 C TYR A 48 -4.966 -5.946 20.206 1.00 0.00 C ATOM 717 O TYR A 48 -5.619 -6.892 20.643 1.00 0.00 O ATOM 718 CB TYR A 48 -5.088 -5.539 17.701 1.00 0.00 C ATOM 719 CG TYR A 48 -6.424 -6.253 17.531 1.00 0.00 C ATOM 720 CD1 TYR A 48 -6.511 -7.479 16.836 1.00 0.00 C ATOM 721 CD2 TYR A 48 -7.584 -5.703 18.112 1.00 0.00 C ATOM 722 CE1 TYR A 48 -7.738 -8.171 16.750 1.00 0.00 C ATOM 723 CE2 TYR A 48 -8.811 -6.382 18.017 1.00 0.00 C ATOM 724 CZ TYR A 48 -8.892 -7.621 17.348 1.00 0.00 C ATOM 725 OH TYR A 48 -10.090 -8.266 17.309 1.00 0.00 O ATOM 0 H TYR A 48 -4.584 -8.110 18.765 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.314 -5.466 18.961 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.277 -4.477 17.861 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.524 -5.626 16.772 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.630 -7.891 16.366 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.530 -4.758 18.631 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.794 -9.116 16.230 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.698 -5.952 18.459 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.765 -7.731 17.776 1.00 0.00 H new ATOM 735 N ASP A 49 -4.899 -4.778 20.853 1.00 0.00 N ATOM 736 CA ASP A 49 -5.681 -4.442 22.052 1.00 0.00 C ATOM 737 C ASP A 49 -7.131 -4.093 21.639 1.00 0.00 C ATOM 738 O ASP A 49 -7.332 -3.143 20.874 1.00 0.00 O ATOM 739 CB ASP A 49 -4.994 -3.283 22.800 1.00 0.00 C ATOM 740 CG ASP A 49 -5.561 -2.991 24.197 1.00 0.00 C ATOM 741 OD1 ASP A 49 -6.800 -2.941 24.373 1.00 0.00 O ATOM 742 OD2 ASP A 49 -4.745 -2.759 25.124 1.00 0.00 O ATOM 0 H ASP A 49 -4.286 -4.021 20.552 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.727 -5.294 22.731 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.932 -3.509 22.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.075 -2.380 22.195 1.00 0.00 H new ATOM 747 N PRO A 50 -8.149 -4.850 22.093 1.00 0.00 N ATOM 748 CA PRO A 50 -9.492 -4.792 21.517 1.00 0.00 C ATOM 749 C PRO A 50 -10.367 -3.636 22.028 1.00 0.00 C ATOM 750 O PRO A 50 -11.543 -3.559 21.668 1.00 0.00 O ATOM 751 CB PRO A 50 -10.097 -6.158 21.829 1.00 0.00 C ATOM 752 CG PRO A 50 -9.472 -6.512 23.170 1.00 0.00 C ATOM 753 CD PRO A 50 -8.051 -5.973 23.019 1.00 0.00 C ATOM 0 HA PRO A 50 -9.438 -4.582 20.449 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.184 -6.113 21.890 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.851 -6.893 21.063 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.999 -6.043 24.001 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.482 -7.587 23.352 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.650 -5.653 23.981 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.380 -6.741 22.633 1.00 0.00 H new ATOM 761 N LYS A 51 -9.832 -2.732 22.856 1.00 0.00 N ATOM 762 CA LYS A 51 -10.528 -1.496 23.255 1.00 0.00 C ATOM 763 C LYS A 51 -10.651 -0.489 22.094 1.00 0.00 C ATOM 764 O LYS A 51 -11.745 -0.001 21.791 1.00 0.00 O ATOM 765 CB LYS A 51 -9.782 -0.830 24.426 1.00 0.00 C ATOM 766 CG LYS A 51 -9.758 -1.671 25.710 1.00 0.00 C ATOM 767 CD LYS A 51 -9.227 -0.867 26.907 1.00 0.00 C ATOM 768 CE LYS A 51 -7.807 -0.309 26.721 1.00 0.00 C ATOM 769 NZ LYS A 51 -6.760 -1.353 26.741 1.00 0.00 N ATOM 0 H LYS A 51 -8.905 -2.833 23.270 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.536 -1.780 23.558 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.756 -0.624 24.120 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.249 0.131 24.642 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.764 -2.029 25.929 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.133 -2.551 25.557 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.907 -0.038 27.102 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.240 -1.504 27.791 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.757 0.228 25.774 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.603 0.415 27.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.826 -0.910 26.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.794 -1.862 27.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.922 -2.022 25.962 1.00 0.00 H new ATOM 783 N LEU A 52 -9.518 -0.166 21.457 1.00 0.00 N ATOM 784 CA LEU A 52 -9.337 0.943 20.501 1.00 0.00 C ATOM 785 C LEU A 52 -9.096 0.501 19.046 1.00 0.00 C ATOM 786 O LEU A 52 -8.689 1.307 18.209 1.00 0.00 O ATOM 787 CB LEU A 52 -8.273 1.924 21.020 1.00 0.00 C ATOM 788 CG LEU A 52 -6.799 1.494 20.915 1.00 0.00 C ATOM 789 CD1 LEU A 52 -5.958 2.628 21.492 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.532 0.202 21.688 1.00 0.00 C ATOM 0 H LEU A 52 -8.658 -0.695 21.599 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.290 1.469 20.448 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.389 2.863 20.479 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.489 2.131 22.068 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.545 1.299 19.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.902 2.363 21.437 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.134 3.539 20.920 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.236 2.794 22.533 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.481 -0.070 21.590 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.772 0.352 22.741 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.153 -0.598 21.285 1.00 0.00 H new ATOM 802 N GLN A 53 -9.304 -0.783 18.745 1.00 0.00 N ATOM 803 CA GLN A 53 -8.924 -1.404 17.481 1.00 0.00 C ATOM 804 C GLN A 53 -9.754 -2.676 17.248 1.00 0.00 C ATOM 805 O GLN A 53 -10.192 -3.324 18.204 1.00 0.00 O ATOM 806 CB GLN A 53 -7.407 -1.667 17.533 1.00 0.00 C ATOM 807 CG GLN A 53 -6.800 -2.171 16.218 1.00 0.00 C ATOM 808 CD GLN A 53 -5.271 -2.104 16.213 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.610 -1.723 17.166 1.00 0.00 O ATOM 810 NE2 GLN A 53 -4.637 -2.445 15.117 1.00 0.00 N ATOM 0 H GLN A 53 -9.752 -1.432 19.391 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.133 -0.754 16.631 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.902 -0.745 17.821 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.205 -2.399 18.315 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.116 -3.200 16.047 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.189 -1.577 15.391 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.161 -2.767 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.619 -2.388 15.078 1.00 0.00 H new ATOM 819 N THR A 54 -9.989 -3.017 15.975 1.00 0.00 N ATOM 820 CA THR A 54 -10.825 -4.146 15.531 1.00 0.00 C ATOM 821 C THR A 54 -10.212 -4.819 14.294 1.00 0.00 C ATOM 822 O THR A 54 -9.335 -4.225 13.654 1.00 0.00 O ATOM 823 CB THR A 54 -12.246 -3.659 15.193 1.00 0.00 C ATOM 824 OG1 THR A 54 -12.156 -2.658 14.208 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.999 -3.100 16.399 1.00 0.00 C ATOM 0 H THR A 54 -9.588 -2.497 15.195 1.00 0.00 H new ATOM 0 HA THR A 54 -10.874 -4.870 16.344 1.00 0.00 H new ATOM 0 HB THR A 54 -12.808 -4.524 14.842 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.030 -2.229 14.097 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.992 -2.775 16.089 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.091 -3.874 17.161 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.451 -2.251 16.808 1.00 0.00 H new ATOM 833 N PRO A 55 -10.690 -6.015 13.892 1.00 0.00 N ATOM 834 CA PRO A 55 -10.409 -6.594 12.583 1.00 0.00 C ATOM 835 C PRO A 55 -10.788 -5.643 11.446 1.00 0.00 C ATOM 836 O PRO A 55 -10.060 -5.563 10.464 1.00 0.00 O ATOM 837 CB PRO A 55 -11.204 -7.900 12.517 1.00 0.00 C ATOM 838 CG PRO A 55 -11.401 -8.265 13.983 1.00 0.00 C ATOM 839 CD PRO A 55 -11.576 -6.897 14.627 1.00 0.00 C ATOM 0 HA PRO A 55 -9.342 -6.778 12.459 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.157 -7.766 12.004 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.659 -8.676 11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.274 -8.901 14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.543 -8.801 14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.611 -6.560 14.561 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.316 -6.924 15.685 1.00 0.00 H new ATOM 847 N LYS A 56 -11.857 -4.850 11.589 1.00 0.00 N ATOM 848 CA LYS A 56 -12.213 -3.813 10.614 1.00 0.00 C ATOM 849 C LYS A 56 -11.090 -2.772 10.415 1.00 0.00 C ATOM 850 O LYS A 56 -10.794 -2.411 9.273 1.00 0.00 O ATOM 851 CB LYS A 56 -13.551 -3.184 11.039 1.00 0.00 C ATOM 852 CG LYS A 56 -14.027 -2.025 10.158 1.00 0.00 C ATOM 853 CD LYS A 56 -14.299 -2.442 8.707 1.00 0.00 C ATOM 854 CE LYS A 56 -14.820 -1.259 7.885 1.00 0.00 C ATOM 855 NZ LYS A 56 -13.750 -0.289 7.561 1.00 0.00 N ATOM 0 H LYS A 56 -12.497 -4.909 12.381 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.334 -4.268 9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.317 -3.960 11.039 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.459 -2.827 12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.937 -1.603 10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.274 -1.237 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.384 -2.827 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.028 -3.252 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.265 -1.629 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.611 -0.754 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.148 0.494 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.342 0.085 8.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.007 -0.763 7.009 1.00 0.00 H new ATOM 869 N THR A 57 -10.398 -2.354 11.486 1.00 0.00 N ATOM 870 CA THR A 57 -9.216 -1.465 11.422 1.00 0.00 C ATOM 871 C THR A 57 -8.059 -2.110 10.659 1.00 0.00 C ATOM 872 O THR A 57 -7.390 -1.433 9.878 1.00 0.00 O ATOM 873 CB THR A 57 -8.769 -1.073 12.835 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.874 -0.578 13.549 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.691 0.009 12.838 1.00 0.00 C ATOM 0 H THR A 57 -10.644 -2.626 12.438 1.00 0.00 H new ATOM 0 HA THR A 57 -9.509 -0.568 10.877 1.00 0.00 H new ATOM 0 HB THR A 57 -8.354 -1.970 13.294 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.440 -1.325 13.836 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.415 0.245 13.866 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.814 -0.350 12.300 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.074 0.905 12.350 1.00 0.00 H new ATOM 883 N LEU A 58 -7.849 -3.418 10.843 1.00 0.00 N ATOM 884 CA LEU A 58 -6.835 -4.206 10.127 1.00 0.00 C ATOM 885 C LEU A 58 -7.191 -4.363 8.644 1.00 0.00 C ATOM 886 O LEU A 58 -6.325 -4.171 7.796 1.00 0.00 O ATOM 887 CB LEU A 58 -6.699 -5.587 10.800 1.00 0.00 C ATOM 888 CG LEU A 58 -5.829 -5.689 12.072 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.716 -4.427 12.932 1.00 0.00 C ATOM 890 CD2 LEU A 58 -6.377 -6.813 12.958 1.00 0.00 C ATOM 0 H LEU A 58 -8.390 -3.972 11.507 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.883 -3.678 10.177 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.700 -5.937 11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.295 -6.280 10.062 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.823 -5.875 11.697 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.079 -4.629 13.793 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.281 -3.621 12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.707 -4.131 13.275 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.770 -6.894 13.860 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.408 -6.590 13.233 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.344 -7.756 12.412 1.00 0.00 H new ATOM 902 N GLN A 59 -8.453 -4.662 8.324 1.00 0.00 N ATOM 903 CA GLN A 59 -8.963 -4.717 6.951 1.00 0.00 C ATOM 904 C GLN A 59 -8.757 -3.369 6.243 1.00 0.00 C ATOM 905 O GLN A 59 -8.251 -3.343 5.124 1.00 0.00 O ATOM 906 CB GLN A 59 -10.459 -5.084 6.955 1.00 0.00 C ATOM 907 CG GLN A 59 -10.737 -6.539 7.359 1.00 0.00 C ATOM 908 CD GLN A 59 -12.236 -6.844 7.395 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.011 -6.275 8.158 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.713 -7.733 6.556 1.00 0.00 N ATOM 0 H GLN A 59 -9.162 -4.877 9.025 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.409 -5.483 6.409 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.985 -4.419 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.870 -4.907 5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.246 -7.211 6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.303 -6.733 8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.085 -8.217 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.712 -7.940 6.546 1.00 0.00 H new ATOM 919 N GLU A 60 -9.086 -2.247 6.892 1.00 0.00 N ATOM 920 CA GLU A 60 -8.900 -0.910 6.332 1.00 0.00 C ATOM 921 C GLU A 60 -7.416 -0.505 6.219 1.00 0.00 C ATOM 922 O GLU A 60 -7.070 0.280 5.338 1.00 0.00 O ATOM 923 CB GLU A 60 -9.727 0.087 7.158 1.00 0.00 C ATOM 924 CG GLU A 60 -9.676 1.497 6.561 1.00 0.00 C ATOM 925 CD GLU A 60 -10.906 2.321 6.921 1.00 0.00 C ATOM 926 OE1 GLU A 60 -10.943 2.927 8.021 1.00 0.00 O ATOM 927 OE2 GLU A 60 -11.844 2.369 6.090 1.00 0.00 O ATOM 0 H GLU A 60 -9.492 -2.244 7.828 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.260 -0.906 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.762 -0.251 7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.352 0.111 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.782 2.008 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.592 1.427 5.476 1.00 0.00 H new ATOM 934 N ALA A 61 -6.509 -1.070 7.027 1.00 0.00 N ATOM 935 CA ALA A 61 -5.065 -0.867 6.856 1.00 0.00 C ATOM 936 C ALA A 61 -4.513 -1.505 5.567 1.00 0.00 C ATOM 937 O ALA A 61 -3.459 -1.082 5.091 1.00 0.00 O ATOM 938 CB ALA A 61 -4.326 -1.372 8.101 1.00 0.00 C ATOM 0 H ALA A 61 -6.753 -1.675 7.811 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.891 0.203 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.254 -1.221 7.974 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.669 -0.820 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.529 -2.434 8.239 1.00 0.00 H new ATOM 944 N ILE A 62 -5.210 -2.493 4.990 1.00 0.00 N ATOM 945 CA ILE A 62 -4.943 -3.017 3.636 1.00 0.00 C ATOM 946 C ILE A 62 -5.368 -2.023 2.540 1.00 0.00 C ATOM 947 O ILE A 62 -4.730 -1.946 1.489 1.00 0.00 O ATOM 948 CB ILE A 62 -5.652 -4.384 3.425 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.538 -5.380 4.605 1.00 0.00 C ATOM 950 CG2 ILE A 62 -5.145 -5.070 2.148 1.00 0.00 C ATOM 951 CD1 ILE A 62 -4.117 -5.615 5.133 1.00 0.00 C ATOM 0 H ILE A 62 -5.988 -2.961 5.455 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.866 -3.160 3.554 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.708 -4.126 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.157 -5.017 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.954 -6.338 4.291 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.655 -6.025 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.348 -4.433 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.071 -5.240 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.148 -6.328 5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.493 -6.013 4.333 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.699 -4.672 5.485 1.00 0.00 H new ATOM 963 N ASP A 63 -6.461 -1.290 2.757 1.00 0.00 N ATOM 964 CA ASP A 63 -7.143 -0.456 1.753 1.00 0.00 C ATOM 965 C ASP A 63 -6.391 0.830 1.363 1.00 0.00 C ATOM 966 O ASP A 63 -6.689 1.451 0.342 1.00 0.00 O ATOM 967 CB ASP A 63 -8.546 -0.118 2.277 1.00 0.00 C ATOM 968 CG ASP A 63 -9.432 0.433 1.165 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.818 -0.372 0.282 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.739 1.646 1.176 1.00 0.00 O ATOM 0 H ASP A 63 -6.916 -1.256 3.669 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.188 -1.040 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.004 -1.012 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.470 0.614 3.081 1.00 0.00 H new ATOM 975 N ASP A 64 -5.394 1.225 2.154 1.00 0.00 N ATOM 976 CA ASP A 64 -4.425 2.262 1.789 1.00 0.00 C ATOM 977 C ASP A 64 -3.630 1.875 0.520 1.00 0.00 C ATOM 978 O ASP A 64 -3.294 2.746 -0.285 1.00 0.00 O ATOM 979 CB ASP A 64 -3.498 2.484 2.989 1.00 0.00 C ATOM 980 CG ASP A 64 -4.076 3.429 4.046 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.316 4.619 3.737 1.00 0.00 O ATOM 982 OD2 ASP A 64 -4.288 2.971 5.197 1.00 0.00 O ATOM 0 H ASP A 64 -5.233 0.829 3.080 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.946 3.188 1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.283 1.522 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.549 2.886 2.634 1.00 0.00 H new ATOM 987 N MET A 65 -3.413 0.575 0.290 1.00 0.00 N ATOM 988 CA MET A 65 -2.752 0.012 -0.895 1.00 0.00 C ATOM 989 C MET A 65 -3.781 -0.565 -1.897 1.00 0.00 C ATOM 990 O MET A 65 -4.966 -0.216 -1.874 1.00 0.00 O ATOM 991 CB MET A 65 -1.720 -1.045 -0.443 1.00 0.00 C ATOM 992 CG MET A 65 -0.626 -0.507 0.493 1.00 0.00 C ATOM 993 SD MET A 65 -1.061 -0.322 2.242 1.00 0.00 S ATOM 994 CE MET A 65 -1.227 -2.058 2.730 1.00 0.00 C ATOM 0 H MET A 65 -3.705 -0.144 0.952 1.00 0.00 H new ATOM 0 HA MET A 65 -2.226 0.805 -1.427 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.246 -1.856 0.061 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.247 -1.473 -1.326 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.235 -1.172 0.426 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.307 0.466 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.335 -2.123 3.813 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.107 -2.488 2.251 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.339 -2.609 2.420 1.00 0.00 H new ATOM 1004 N GLY A 66 -3.339 -1.470 -2.780 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.174 -2.233 -3.714 1.00 0.00 C ATOM 1006 C GLY A 66 -3.983 -3.740 -3.552 1.00 0.00 C ATOM 1007 O GLY A 66 -3.317 -4.359 -4.383 1.00 0.00 O ATOM 0 H GLY A 66 -2.349 -1.699 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.222 -1.981 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.931 -1.945 -4.737 1.00 0.00 H new ATOM 1011 N PHE A 67 -4.566 -4.313 -2.496 1.00 0.00 N ATOM 1012 CA PHE A 67 -4.576 -5.758 -2.216 1.00 0.00 C ATOM 1013 C PHE A 67 -6.006 -6.244 -1.891 1.00 0.00 C ATOM 1014 O PHE A 67 -6.966 -5.468 -1.961 1.00 0.00 O ATOM 1015 CB PHE A 67 -3.582 -6.096 -1.085 1.00 0.00 C ATOM 1016 CG PHE A 67 -2.172 -5.539 -1.210 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -1.354 -5.897 -2.300 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -1.653 -4.697 -0.206 1.00 0.00 C ATOM 1019 CE1 PHE A 67 -0.044 -5.393 -2.396 1.00 0.00 C ATOM 1020 CE2 PHE A 67 -0.335 -4.213 -0.293 1.00 0.00 C ATOM 1021 CZ PHE A 67 0.468 -4.554 -1.394 1.00 0.00 C ATOM 0 H PHE A 67 -5.061 -3.770 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.250 -6.290 -3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.004 -5.739 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.511 -7.181 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.734 -6.560 -3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.271 -4.422 0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.571 -5.653 -3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.060 -3.579 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.475 -4.172 -1.469 1.00 0.00 H new ATOM 1031 N ASP A 68 -6.159 -7.531 -1.552 1.00 0.00 N ATOM 1032 CA ASP A 68 -7.452 -8.188 -1.303 1.00 0.00 C ATOM 1033 C ASP A 68 -7.341 -9.107 -0.074 1.00 0.00 C ATOM 1034 O ASP A 68 -6.266 -9.666 0.156 1.00 0.00 O ATOM 1035 CB ASP A 68 -7.886 -9.015 -2.529 1.00 0.00 C ATOM 1036 CG ASP A 68 -7.889 -8.222 -3.837 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -8.869 -7.475 -4.079 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -6.927 -8.352 -4.627 1.00 0.00 O ATOM 0 H ASP A 68 -5.366 -8.162 -1.440 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.201 -7.418 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.218 -9.870 -2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.886 -9.412 -2.353 1.00 0.00 H new ATOM 1043 N ALA A 69 -8.420 -9.268 0.707 1.00 0.00 N ATOM 1044 CA ALA A 69 -8.371 -9.912 2.027 1.00 0.00 C ATOM 1045 C ALA A 69 -9.708 -10.522 2.513 1.00 0.00 C ATOM 1046 O ALA A 69 -10.784 -10.014 2.179 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.850 -8.863 3.023 1.00 0.00 C ATOM 0 H ALA A 69 -9.353 -8.954 0.440 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.708 -10.774 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.798 -9.302 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.856 -8.535 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.526 -8.008 3.038 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.645 -11.551 3.372 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.791 -12.165 4.085 1.00 0.00 C ATOM 1055 C VAL A 70 -10.349 -12.589 5.495 1.00 0.00 C ATOM 1056 O VAL A 70 -9.228 -13.063 5.659 1.00 0.00 O ATOM 1057 CB VAL A 70 -11.344 -13.424 3.355 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.753 -13.769 3.871 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -11.426 -13.285 1.824 1.00 0.00 C ATOM 0 H VAL A 70 -8.760 -12.002 3.603 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.581 -11.414 4.121 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.626 -14.214 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.125 -14.651 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -12.709 -13.971 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.424 -12.930 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.821 -14.206 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.084 -12.455 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.431 -13.096 1.422 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.192 -12.436 6.524 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.874 -12.852 7.910 1.00 0.00 C ATOM 1071 C ILE A 71 -11.066 -14.367 8.106 1.00 0.00 C ATOM 1072 O ILE A 71 -12.006 -14.942 7.555 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.693 -12.008 8.925 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.208 -10.538 8.900 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.595 -12.566 10.361 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.162 -9.538 9.561 1.00 0.00 C ATOM 0 H ILE A 71 -12.118 -12.020 6.426 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.818 -12.657 8.099 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.739 -12.060 8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.240 -10.480 9.399 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.051 -10.239 7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.184 -11.943 11.034 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.979 -13.586 10.382 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.553 -12.564 10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.740 -8.535 9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.124 -9.561 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.301 -9.806 10.608 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.192 -15.014 8.886 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.194 -16.465 9.115 1.00 0.00 C ATOM 1090 C HIS A 72 -9.722 -16.873 10.543 1.00 0.00 C ATOM 1091 O HIS A 72 -9.503 -16.022 11.413 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.350 -17.109 7.992 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.666 -18.562 7.743 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -8.782 -19.616 7.755 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.900 -19.078 7.457 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -9.473 -20.740 7.499 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -10.781 -20.469 7.319 1.00 0.00 N ATOM 0 H HIS A 72 -9.446 -14.532 9.388 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.218 -16.837 9.074 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.506 -16.551 7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.294 -17.016 8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.813 -18.510 7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.039 -21.727 7.445 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.528 -21.136 7.123 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.569 -18.184 10.800 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.272 -18.790 12.114 1.00 0.00 C ATOM 1107 C ASN A 73 -8.411 -20.063 12.000 1.00 0.00 C ATOM 1108 O ASN A 73 -7.629 -20.343 12.937 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.621 -19.028 12.838 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.506 -19.817 14.131 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -10.331 -19.257 15.205 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -10.598 -21.122 14.071 1.00 0.00 N ATOM 1113 OXT ASN A 73 -8.441 -20.729 10.939 1.00 0.00 O ATOM 0 H ASN A 73 -9.653 -18.885 10.064 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.660 -18.110 12.706 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.079 -18.063 13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.294 -19.556 12.163 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.524 -21.678 14.923 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.744 -21.582 13.172 1.00 0.00 H new TER 1120 ASN A 73 ATOM 1121 N MET B 74 -2.506 18.017 -19.766 1.00 0.00 N ATOM 1122 CA MET B 74 -1.850 19.329 -19.914 1.00 0.00 C ATOM 1123 C MET B 74 -0.422 19.310 -19.357 1.00 0.00 C ATOM 1124 O MET B 74 0.493 19.366 -20.181 1.00 0.00 O ATOM 1125 CB MET B 74 -2.763 20.487 -19.480 1.00 0.00 C ATOM 1126 CG MET B 74 -2.205 21.850 -19.896 1.00 0.00 C ATOM 1127 SD MET B 74 -3.384 23.199 -19.625 1.00 0.00 S ATOM 1128 CE MET B 74 -2.563 24.517 -20.563 1.00 0.00 C ATOM 0 HA MET B 74 -1.698 19.540 -20.972 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.752 20.352 -19.918 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.888 20.463 -18.398 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.293 22.052 -19.334 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.930 21.819 -20.950 1.00 0.00 H new ATOM 0 HE1 MET B 74 -3.156 25.429 -20.504 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.574 24.700 -20.144 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.465 24.215 -21.606 1.00 0.00 H new ATOM 1140 N PRO B 75 -0.163 19.211 -18.037 1.00 0.00 N ATOM 1141 CA PRO B 75 1.180 18.933 -17.528 1.00 0.00 C ATOM 1142 C PRO B 75 1.590 17.459 -17.704 1.00 0.00 C ATOM 1143 O PRO B 75 0.772 16.543 -17.614 1.00 0.00 O ATOM 1144 CB PRO B 75 1.145 19.346 -16.056 1.00 0.00 C ATOM 1145 CG PRO B 75 -0.308 19.086 -15.663 1.00 0.00 C ATOM 1146 CD PRO B 75 -1.054 19.512 -16.922 1.00 0.00 C ATOM 0 HA PRO B 75 1.934 19.488 -18.087 1.00 0.00 H new ATOM 0 HB2 PRO B 75 1.838 18.757 -15.455 1.00 0.00 H new ATOM 0 HB3 PRO B 75 1.418 20.393 -15.924 1.00 0.00 H new ATOM 0 HG2 PRO B 75 -0.484 18.038 -15.418 1.00 0.00 H new ATOM 0 HG3 PRO B 75 -0.607 19.671 -14.793 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -1.996 18.973 -17.019 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -1.296 20.574 -16.892 1.00 0.00 H new ATOM 1154 N LYS B 76 2.892 17.252 -17.926 1.00 0.00 N ATOM 1155 CA LYS B 76 3.594 15.962 -17.898 1.00 0.00 C ATOM 1156 C LYS B 76 4.614 15.952 -16.735 1.00 0.00 C ATOM 1157 O LYS B 76 5.321 16.936 -16.515 1.00 0.00 O ATOM 1158 CB LYS B 76 4.266 15.752 -19.276 1.00 0.00 C ATOM 1159 CG LYS B 76 4.169 14.328 -19.844 1.00 0.00 C ATOM 1160 CD LYS B 76 5.152 13.312 -19.250 1.00 0.00 C ATOM 1161 CE LYS B 76 4.941 11.886 -19.786 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.185 11.772 -21.246 1.00 0.00 N ATOM 0 H LYS B 76 3.522 18.024 -18.143 1.00 0.00 H new ATOM 0 HA LYS B 76 2.904 15.137 -17.721 1.00 0.00 H new ATOM 0 HB2 LYS B 76 3.816 16.442 -19.990 1.00 0.00 H new ATOM 0 HB3 LYS B 76 5.319 16.021 -19.193 1.00 0.00 H new ATOM 0 HG2 LYS B 76 3.155 13.961 -19.686 1.00 0.00 H new ATOM 0 HG3 LYS B 76 4.328 14.374 -20.921 1.00 0.00 H new ATOM 0 HD2 LYS B 76 6.171 13.630 -19.470 1.00 0.00 H new ATOM 0 HD3 LYS B 76 5.047 13.305 -18.165 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.607 11.203 -19.258 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.921 11.569 -19.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 4.300 11.510 -21.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 5.522 12.684 -21.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.904 11.041 -21.422 1.00 0.00 H new ATOM 1176 N HIS B 77 4.705 14.861 -15.975 1.00 0.00 N ATOM 1177 CA HIS B 77 5.421 14.803 -14.695 1.00 0.00 C ATOM 1178 C HIS B 77 6.272 13.518 -14.538 1.00 0.00 C ATOM 1179 O HIS B 77 6.016 12.509 -15.209 1.00 0.00 O ATOM 1180 CB HIS B 77 4.396 14.858 -13.539 1.00 0.00 C ATOM 1181 CG HIS B 77 3.052 15.520 -13.787 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.661 16.789 -13.419 1.00 0.00 N ATOM 1183 CD2 HIS B 77 1.932 14.887 -14.259 1.00 0.00 C ATOM 1184 CE1 HIS B 77 1.335 16.887 -13.625 1.00 0.00 C ATOM 1185 NE2 HIS B 77 0.842 15.753 -14.158 1.00 0.00 N ATOM 0 H HIS B 77 4.275 13.973 -16.235 1.00 0.00 H new ATOM 0 HA HIS B 77 6.100 15.655 -14.669 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.206 13.834 -13.217 1.00 0.00 H new ATOM 0 HB3 HIS B 77 4.869 15.373 -12.702 1.00 0.00 H new ATOM 0 HD1 HIS B 77 3.268 17.523 -13.055 1.00 0.00 H new ATOM 0 HD2 HIS B 77 1.898 13.880 -14.647 1.00 0.00 H new ATOM 0 HE1 HIS B 77 0.744 17.761 -13.393 1.00 0.00 H new ATOM 1193 N GLU B 78 7.224 13.520 -13.596 1.00 0.00 N ATOM 1194 CA GLU B 78 7.982 12.344 -13.153 1.00 0.00 C ATOM 1195 C GLU B 78 8.018 12.262 -11.617 1.00 0.00 C ATOM 1196 O GLU B 78 8.319 13.244 -10.935 1.00 0.00 O ATOM 1197 CB GLU B 78 9.408 12.410 -13.727 1.00 0.00 C ATOM 1198 CG GLU B 78 10.163 11.073 -13.653 1.00 0.00 C ATOM 1199 CD GLU B 78 11.567 11.176 -14.258 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.722 11.767 -15.353 1.00 0.00 O ATOM 1201 OE2 GLU B 78 12.539 10.659 -13.653 1.00 0.00 O ATOM 0 H GLU B 78 7.497 14.371 -13.104 1.00 0.00 H new ATOM 0 HA GLU B 78 7.489 11.444 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.358 12.732 -14.767 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.974 13.168 -13.186 1.00 0.00 H new ATOM 0 HG2 GLU B 78 10.238 10.756 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.596 10.306 -14.180 1.00 0.00 H new ATOM 1208 N PHE B 79 7.730 11.074 -11.080 1.00 0.00 N ATOM 1209 CA PHE B 79 7.707 10.764 -9.648 1.00 0.00 C ATOM 1210 C PHE B 79 8.550 9.518 -9.345 1.00 0.00 C ATOM 1211 O PHE B 79 8.657 8.618 -10.181 1.00 0.00 O ATOM 1212 CB PHE B 79 6.254 10.530 -9.200 1.00 0.00 C ATOM 1213 CG PHE B 79 5.316 11.698 -9.439 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.276 12.764 -8.523 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.478 11.720 -10.571 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.403 13.846 -8.736 1.00 0.00 C ATOM 1217 CE2 PHE B 79 3.603 12.801 -10.780 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.566 13.866 -9.864 1.00 0.00 C ATOM 0 H PHE B 79 7.496 10.266 -11.657 1.00 0.00 H new ATOM 0 HA PHE B 79 8.132 11.606 -9.101 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.864 9.657 -9.723 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.251 10.292 -8.136 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.917 12.752 -7.654 1.00 0.00 H new ATOM 0 HD2 PHE B 79 4.507 10.905 -11.280 1.00 0.00 H new ATOM 0 HE1 PHE B 79 4.376 14.663 -8.031 1.00 0.00 H new ATOM 0 HE2 PHE B 79 2.958 12.813 -11.646 1.00 0.00 H new ATOM 0 HZ PHE B 79 2.896 14.697 -10.027 1.00 0.00 H new ATOM 1228 N SER B 80 9.108 9.426 -8.140 1.00 0.00 N ATOM 1229 CA SER B 80 9.914 8.298 -7.655 1.00 0.00 C ATOM 1230 C SER B 80 9.328 7.701 -6.370 1.00 0.00 C ATOM 1231 O SER B 80 9.053 8.442 -5.423 1.00 0.00 O ATOM 1232 CB SER B 80 11.338 8.783 -7.378 1.00 0.00 C ATOM 1233 OG SER B 80 12.200 7.693 -7.104 1.00 0.00 O ATOM 0 H SER B 80 9.009 10.164 -7.443 1.00 0.00 H new ATOM 0 HA SER B 80 9.914 7.523 -8.422 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.711 9.339 -8.238 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.334 9.470 -6.532 1.00 0.00 H new ATOM 0 HG SER B 80 13.105 8.027 -6.932 1.00 0.00 H new ATOM 1239 N VAL B 81 9.168 6.373 -6.309 1.00 0.00 N ATOM 1240 CA VAL B 81 8.531 5.651 -5.185 1.00 0.00 C ATOM 1241 C VAL B 81 9.525 4.646 -4.591 1.00 0.00 C ATOM 1242 O VAL B 81 10.363 4.113 -5.314 1.00 0.00 O ATOM 1243 CB VAL B 81 7.237 4.894 -5.607 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.263 4.783 -4.425 1.00 0.00 C ATOM 1245 CG2 VAL B 81 6.485 5.535 -6.791 1.00 0.00 C ATOM 0 H VAL B 81 9.483 5.751 -7.053 1.00 0.00 H new ATOM 0 HA VAL B 81 8.247 6.401 -4.447 1.00 0.00 H new ATOM 0 HB VAL B 81 7.582 3.912 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL B 81 5.366 4.251 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL B 81 6.740 4.238 -3.611 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.991 5.781 -4.083 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.597 4.946 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.189 6.550 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL B 81 7.137 5.563 -7.664 1.00 0.00 H new ATOM 1255 N ASP B 82 9.422 4.348 -3.293 1.00 0.00 N ATOM 1256 CA ASP B 82 10.276 3.381 -2.578 1.00 0.00 C ATOM 1257 C ASP B 82 9.901 1.901 -2.841 1.00 0.00 C ATOM 1258 O ASP B 82 9.938 1.058 -1.946 1.00 0.00 O ATOM 1259 CB ASP B 82 10.284 3.748 -1.082 1.00 0.00 C ATOM 1260 CG ASP B 82 11.427 3.093 -0.300 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.586 3.139 -0.776 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.182 2.612 0.832 1.00 0.00 O ATOM 0 H ASP B 82 8.724 4.782 -2.689 1.00 0.00 H new ATOM 0 HA ASP B 82 11.290 3.457 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP B 82 10.359 4.831 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.334 3.452 -0.638 1.00 0.00 H new ATOM 1267 N MET B 83 9.471 1.575 -4.066 1.00 0.00 N ATOM 1268 CA MET B 83 9.042 0.230 -4.471 1.00 0.00 C ATOM 1269 C MET B 83 10.227 -0.653 -4.899 1.00 0.00 C ATOM 1270 O MET B 83 10.621 -0.688 -6.067 1.00 0.00 O ATOM 1271 CB MET B 83 7.909 0.310 -5.514 1.00 0.00 C ATOM 1272 CG MET B 83 8.232 1.089 -6.795 1.00 0.00 C ATOM 1273 SD MET B 83 6.754 1.472 -7.764 1.00 0.00 S ATOM 1274 CE MET B 83 7.502 2.577 -8.980 1.00 0.00 C ATOM 0 H MET B 83 9.410 2.256 -4.823 1.00 0.00 H new ATOM 0 HA MET B 83 8.622 -0.275 -3.601 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.624 -0.705 -5.791 1.00 0.00 H new ATOM 0 HB3 MET B 83 7.039 0.768 -5.043 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.742 2.016 -6.534 1.00 0.00 H new ATOM 0 HG3 MET B 83 8.922 0.507 -7.406 1.00 0.00 H new ATOM 0 HE1 MET B 83 6.719 3.127 -9.502 1.00 0.00 H new ATOM 0 HE2 MET B 83 8.164 3.280 -8.474 1.00 0.00 H new ATOM 0 HE3 MET B 83 8.076 1.992 -9.699 1.00 0.00 H new ATOM 1284 N THR B 84 10.784 -1.396 -3.938 1.00 0.00 N ATOM 1285 CA THR B 84 11.821 -2.427 -4.140 1.00 0.00 C ATOM 1286 C THR B 84 11.313 -3.707 -4.823 1.00 0.00 C ATOM 1287 O THR B 84 12.135 -4.576 -5.122 1.00 0.00 O ATOM 1288 CB THR B 84 12.534 -2.738 -2.808 1.00 0.00 C ATOM 1289 OG1 THR B 84 11.651 -2.636 -1.708 1.00 0.00 O ATOM 1290 CG2 THR B 84 13.656 -1.730 -2.557 1.00 0.00 C ATOM 0 H THR B 84 10.519 -1.296 -2.958 1.00 0.00 H new ATOM 0 HA THR B 84 12.540 -2.004 -4.841 1.00 0.00 H new ATOM 0 HB THR B 84 12.918 -3.754 -2.893 1.00 0.00 H new ATOM 0 HG1 THR B 84 10.847 -3.168 -1.883 1.00 0.00 H new ATOM 0 HG21 THR B 84 14.150 -1.963 -1.613 1.00 0.00 H new ATOM 0 HG22 THR B 84 14.381 -1.783 -3.369 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.238 -0.725 -2.510 1.00 0.00 H new ATOM 1298 N CYS B 85 10.007 -3.814 -5.102 1.00 0.00 N ATOM 1299 CA CYS B 85 9.359 -4.964 -5.726 1.00 0.00 C ATOM 1300 C CYS B 85 8.184 -4.600 -6.681 1.00 0.00 C ATOM 1301 O CYS B 85 7.604 -3.506 -6.625 1.00 0.00 O ATOM 1302 CB CYS B 85 8.932 -5.913 -4.593 1.00 0.00 C ATOM 1303 SG CYS B 85 7.359 -5.371 -3.864 1.00 0.00 S ATOM 0 H CYS B 85 9.348 -3.065 -4.887 1.00 0.00 H new ATOM 0 HA CYS B 85 10.070 -5.453 -6.392 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.830 -6.927 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS B 85 9.705 -5.941 -3.825 1.00 0.00 H new ATOM 1308 N GLY B 86 7.826 -5.561 -7.546 1.00 0.00 N ATOM 1309 CA GLY B 86 6.755 -5.450 -8.545 1.00 0.00 C ATOM 1310 C GLY B 86 5.342 -5.544 -7.963 1.00 0.00 C ATOM 1311 O GLY B 86 4.422 -4.951 -8.525 1.00 0.00 O ATOM 0 H GLY B 86 8.291 -6.468 -7.569 1.00 0.00 H new ATOM 0 HA2 GLY B 86 6.858 -4.499 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY B 86 6.883 -6.237 -9.288 1.00 0.00 H new ATOM 1315 N GLY B 87 5.155 -6.193 -6.806 1.00 0.00 N ATOM 1316 CA GLY B 87 3.853 -6.235 -6.126 1.00 0.00 C ATOM 1317 C GLY B 87 3.446 -4.851 -5.630 1.00 0.00 C ATOM 1318 O GLY B 87 2.309 -4.425 -5.830 1.00 0.00 O ATOM 0 H GLY B 87 5.894 -6.699 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.095 -6.617 -6.810 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.901 -6.926 -5.285 1.00 0.00 H new ATOM 1322 N CYS B 88 4.401 -4.072 -5.109 1.00 0.00 N ATOM 1323 CA CYS B 88 4.181 -2.658 -4.800 1.00 0.00 C ATOM 1324 C CYS B 88 3.905 -1.801 -6.050 1.00 0.00 C ATOM 1325 O CYS B 88 3.085 -0.886 -5.971 1.00 0.00 O ATOM 1326 CB CYS B 88 5.356 -2.144 -3.960 1.00 0.00 C ATOM 1327 SG CYS B 88 5.008 -2.551 -2.224 1.00 0.00 S ATOM 0 H CYS B 88 5.341 -4.403 -4.892 1.00 0.00 H new ATOM 0 HA CYS B 88 3.268 -2.566 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS B 88 6.289 -2.607 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.474 -1.068 -4.085 1.00 0.00 H new ATOM 0 HG CYS B 88 4.677 -3.805 -2.130 1.00 0.00 H new ATOM 1333 N ALA B 89 4.499 -2.105 -7.210 1.00 0.00 N ATOM 1334 CA ALA B 89 4.152 -1.439 -8.474 1.00 0.00 C ATOM 1335 C ALA B 89 2.705 -1.749 -8.918 1.00 0.00 C ATOM 1336 O ALA B 89 1.975 -0.840 -9.316 1.00 0.00 O ATOM 1337 CB ALA B 89 5.188 -1.807 -9.543 1.00 0.00 C ATOM 0 H ALA B 89 5.228 -2.813 -7.301 1.00 0.00 H new ATOM 0 HA ALA B 89 4.182 -0.360 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.933 -1.315 -10.481 1.00 0.00 H new ATOM 0 HB2 ALA B 89 6.176 -1.481 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA B 89 5.192 -2.887 -9.689 1.00 0.00 H new ATOM 1343 N GLU B 90 2.249 -2.997 -8.766 1.00 0.00 N ATOM 1344 CA GLU B 90 0.845 -3.375 -8.977 1.00 0.00 C ATOM 1345 C GLU B 90 -0.088 -2.655 -7.987 1.00 0.00 C ATOM 1346 O GLU B 90 -1.119 -2.119 -8.394 1.00 0.00 O ATOM 1347 CB GLU B 90 0.713 -4.904 -8.894 1.00 0.00 C ATOM 1348 CG GLU B 90 -0.662 -5.412 -9.353 1.00 0.00 C ATOM 1349 CD GLU B 90 -0.736 -6.939 -9.440 1.00 0.00 C ATOM 1350 OE1 GLU B 90 0.310 -7.628 -9.470 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -1.861 -7.490 -9.550 1.00 0.00 O ATOM 0 H GLU B 90 2.845 -3.778 -8.492 1.00 0.00 H new ATOM 0 HA GLU B 90 0.533 -3.056 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU B 90 1.488 -5.364 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU B 90 0.888 -5.223 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -1.425 -5.055 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -0.893 -4.986 -10.329 1.00 0.00 H new ATOM 1358 N ALA B 91 0.300 -2.547 -6.710 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.427 -1.758 -5.716 1.00 0.00 C ATOM 1360 C ALA B 91 -0.490 -0.266 -6.093 1.00 0.00 C ATOM 1361 O ALA B 91 -1.580 0.305 -6.053 1.00 0.00 O ATOM 1362 CB ALA B 91 0.200 -1.987 -4.334 1.00 0.00 C ATOM 0 H ALA B 91 1.131 -3.008 -6.339 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.464 -2.094 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.338 -1.401 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.139 -3.045 -4.077 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.245 -1.678 -4.353 1.00 0.00 H new ATOM 1368 N VAL B 92 0.625 0.345 -6.519 1.00 0.00 N ATOM 1369 CA VAL B 92 0.655 1.717 -7.075 1.00 0.00 C ATOM 1370 C VAL B 92 -0.350 1.850 -8.221 1.00 0.00 C ATOM 1371 O VAL B 92 -1.147 2.781 -8.226 1.00 0.00 O ATOM 1372 CB VAL B 92 2.074 2.131 -7.557 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.088 3.318 -8.543 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.957 2.522 -6.367 1.00 0.00 C ATOM 0 H VAL B 92 1.543 -0.099 -6.489 1.00 0.00 H new ATOM 0 HA VAL B 92 0.377 2.394 -6.268 1.00 0.00 H new ATOM 0 HB VAL B 92 2.454 1.251 -8.076 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.116 3.542 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL B 92 1.512 3.060 -9.432 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.646 4.193 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.946 2.808 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.505 3.362 -5.839 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.049 1.674 -5.688 1.00 0.00 H new ATOM 1384 N SER B 93 -0.366 0.907 -9.164 1.00 0.00 N ATOM 1385 CA SER B 93 -1.288 0.954 -10.302 1.00 0.00 C ATOM 1386 C SER B 93 -2.765 0.799 -9.887 1.00 0.00 C ATOM 1387 O SER B 93 -3.634 1.498 -10.415 1.00 0.00 O ATOM 1388 CB SER B 93 -0.878 -0.107 -11.325 1.00 0.00 C ATOM 1389 OG SER B 93 -1.339 0.269 -12.606 1.00 0.00 O ATOM 0 H SER B 93 0.253 0.096 -9.162 1.00 0.00 H new ATOM 0 HA SER B 93 -1.215 1.943 -10.754 1.00 0.00 H new ATOM 0 HB2 SER B 93 0.206 -0.217 -11.335 1.00 0.00 H new ATOM 0 HB3 SER B 93 -1.294 -1.075 -11.047 1.00 0.00 H new ATOM 0 HG SER B 93 -1.075 -0.410 -13.261 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.056 -0.042 -8.884 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.390 -0.169 -8.277 1.00 0.00 C ATOM 1397 C ARG B 94 -4.792 1.053 -7.436 1.00 0.00 C ATOM 1398 O ARG B 94 -5.979 1.373 -7.399 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.472 -1.456 -7.439 1.00 0.00 C ATOM 1400 CG ARG B 94 -4.705 -2.696 -8.317 1.00 0.00 C ATOM 1401 CD ARG B 94 -4.769 -4.001 -7.510 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.967 -4.086 -6.645 1.00 0.00 N ATOM 1403 CZ ARG B 94 -6.366 -5.171 -5.989 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -5.675 -6.282 -5.983 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -7.488 -5.176 -5.307 1.00 0.00 N ATOM 0 H ARG B 94 -2.362 -0.662 -8.466 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.105 -0.223 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -3.549 -1.580 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.281 -1.367 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.636 -2.572 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -3.904 -2.769 -9.052 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.762 -4.847 -8.197 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -3.875 -4.084 -6.892 1.00 0.00 H new ATOM 0 HE ARG B 94 -6.533 -3.243 -6.544 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -4.794 -6.338 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -6.017 -7.092 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -8.069 -4.338 -5.275 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -7.779 -6.018 -4.810 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.856 1.729 -6.762 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.098 2.983 -6.016 1.00 0.00 C ATOM 1421 C VAL B 95 -4.320 4.186 -6.954 1.00 0.00 C ATOM 1422 O VAL B 95 -5.225 4.979 -6.715 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.980 3.248 -4.977 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -3.002 4.669 -4.390 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.131 2.259 -3.807 1.00 0.00 C ATOM 0 H VAL B 95 -2.886 1.419 -6.715 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.027 2.853 -5.462 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.037 3.123 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -2.190 4.778 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.876 5.396 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -3.955 4.841 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.346 2.441 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -4.105 2.396 -3.338 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.048 1.238 -4.180 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.561 4.308 -8.053 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.769 5.352 -9.069 1.00 0.00 C ATOM 1437 C LEU B 96 -5.150 5.238 -9.731 1.00 0.00 C ATOM 1438 O LEU B 96 -5.805 6.251 -9.960 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.639 5.286 -10.117 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.290 5.860 -9.629 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.187 5.499 -10.632 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.341 7.389 -9.465 1.00 0.00 C ATOM 0 H LEU B 96 -2.783 3.683 -8.263 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.739 6.323 -8.575 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.493 4.247 -10.413 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.952 5.831 -11.008 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.078 5.423 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.765 5.904 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.111 4.415 -10.715 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.429 5.921 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.372 7.750 -9.120 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.580 7.850 -10.423 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.107 7.651 -8.735 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.640 4.015 -9.945 1.00 0.00 N ATOM 1455 CA ASN B 97 -6.978 3.734 -10.479 1.00 0.00 C ATOM 1456 C ASN B 97 -8.143 4.256 -9.599 1.00 0.00 C ATOM 1457 O ASN B 97 -9.274 4.382 -10.069 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.057 2.216 -10.672 1.00 0.00 C ATOM 1459 CG ASN B 97 -8.221 1.777 -11.542 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -9.183 1.186 -11.063 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -8.139 2.027 -12.834 1.00 0.00 N ATOM 0 H ASN B 97 -5.105 3.170 -9.747 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.105 4.273 -11.418 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.127 1.865 -11.119 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -7.142 1.737 -9.696 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -8.886 1.727 -13.460 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -7.328 2.520 -13.208 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.889 4.578 -8.323 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.850 5.238 -7.419 1.00 0.00 C ATOM 1470 C LYS B 98 -9.062 6.722 -7.771 1.00 0.00 C ATOM 1471 O LYS B 98 -10.185 7.226 -7.710 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.387 5.079 -5.963 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.100 3.608 -5.633 1.00 0.00 C ATOM 1474 CD LYS B 98 -7.810 3.420 -4.150 1.00 0.00 C ATOM 1475 CE LYS B 98 -7.495 1.944 -3.890 1.00 0.00 C ATOM 1476 NZ LYS B 98 -7.251 1.699 -2.455 1.00 0.00 N ATOM 0 H LYS B 98 -6.992 4.384 -7.878 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.816 4.749 -7.545 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.489 5.674 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -9.154 5.463 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.955 2.995 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -7.249 3.261 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -6.969 4.044 -3.848 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -8.668 3.733 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.325 1.326 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -6.619 1.649 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -6.462 1.030 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -7.012 2.596 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -8.107 1.299 -2.021 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.983 7.412 -8.165 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.013 8.762 -8.737 1.00 0.00 C ATOM 1492 C LEU B 99 -8.588 8.696 -10.162 1.00 0.00 C ATOM 1493 O LEU B 99 -9.599 9.342 -10.450 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.583 9.343 -8.633 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.364 10.836 -8.957 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -6.435 11.149 -10.457 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.316 11.747 -8.173 1.00 0.00 C ATOM 0 H LEU B 99 -7.039 7.034 -8.092 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.672 9.441 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.229 9.170 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.942 8.763 -9.297 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.345 11.049 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.273 12.215 -10.614 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -5.666 10.583 -10.984 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -7.417 10.871 -10.841 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -7.123 12.787 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -8.347 11.496 -8.421 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.156 11.607 -7.104 1.00 0.00 H new ATOM 1509 N GLY B 100 -7.996 7.851 -11.014 1.00 0.00 N ATOM 1510 CA GLY B 100 -8.499 7.485 -12.344 1.00 0.00 C ATOM 1511 C GLY B 100 -8.310 8.563 -13.413 1.00 0.00 C ATOM 1512 O GLY B 100 -8.065 9.733 -13.119 1.00 0.00 O ATOM 0 H GLY B 100 -7.118 7.384 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -7.996 6.575 -12.671 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -9.561 7.252 -12.265 1.00 0.00 H new ATOM 1516 N GLY B 101 -8.442 8.168 -14.680 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.346 9.064 -15.840 1.00 0.00 C ATOM 1518 C GLY B 101 -6.969 9.704 -16.017 1.00 0.00 C ATOM 1519 O GLY B 101 -6.887 10.894 -16.328 1.00 0.00 O ATOM 0 H GLY B 101 -8.622 7.197 -14.937 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -8.594 8.503 -16.741 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.092 9.852 -15.740 1.00 0.00 H new ATOM 1523 N VAL B 102 -5.897 8.937 -15.819 1.00 0.00 N ATOM 1524 CA VAL B 102 -4.500 9.392 -15.975 1.00 0.00 C ATOM 1525 C VAL B 102 -3.692 8.462 -16.887 1.00 0.00 C ATOM 1526 O VAL B 102 -3.905 7.252 -16.910 1.00 0.00 O ATOM 1527 CB VAL B 102 -3.780 9.571 -14.616 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -4.261 10.855 -13.923 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -3.938 8.380 -13.655 1.00 0.00 C ATOM 0 H VAL B 102 -5.969 7.959 -15.539 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.557 10.371 -16.451 1.00 0.00 H new ATOM 0 HB VAL B 102 -2.718 9.636 -14.855 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -3.746 10.968 -12.969 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -4.043 11.714 -14.557 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -5.336 10.795 -13.751 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -3.404 8.587 -12.728 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -4.995 8.225 -13.438 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -3.527 7.482 -14.117 1.00 0.00 H new ATOM 1539 N LYS B 103 -2.753 9.046 -17.640 1.00 0.00 N ATOM 1540 CA LYS B 103 -1.878 8.356 -18.598 1.00 0.00 C ATOM 1541 C LYS B 103 -0.478 8.134 -18.001 1.00 0.00 C ATOM 1542 O LYS B 103 0.281 9.099 -17.856 1.00 0.00 O ATOM 1543 CB LYS B 103 -1.806 9.223 -19.875 1.00 0.00 C ATOM 1544 CG LYS B 103 -2.909 8.857 -20.875 1.00 0.00 C ATOM 1545 CD LYS B 103 -2.890 9.786 -22.095 1.00 0.00 C ATOM 1546 CE LYS B 103 -3.702 9.160 -23.233 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.923 10.111 -24.345 1.00 0.00 N ATOM 0 H LYS B 103 -2.574 10.049 -17.598 1.00 0.00 H new ATOM 0 HA LYS B 103 -2.280 7.371 -18.835 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -1.895 10.275 -19.605 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -0.831 9.096 -20.346 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -2.779 7.825 -21.200 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -3.881 8.917 -20.385 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -3.306 10.758 -21.830 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -1.863 9.956 -22.419 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -3.181 8.279 -23.608 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.664 8.822 -22.848 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.476 9.647 -25.094 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -4.443 10.941 -23.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -3.006 10.414 -24.730 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.094 6.896 -17.669 1.00 0.00 N ATOM 1562 CA TYR B 104 1.147 6.627 -16.919 1.00 0.00 C ATOM 1563 C TYR B 104 1.902 5.338 -17.280 1.00 0.00 C ATOM 1564 O TYR B 104 1.328 4.344 -17.734 1.00 0.00 O ATOM 1565 CB TYR B 104 0.874 6.696 -15.405 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.023 5.614 -14.829 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -1.416 5.732 -14.966 1.00 0.00 C ATOM 1568 CD2 TYR B 104 0.516 4.523 -14.111 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -2.273 4.765 -14.416 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -0.336 3.549 -13.548 1.00 0.00 C ATOM 1571 CZ TYR B 104 -1.739 3.661 -13.717 1.00 0.00 C ATOM 1572 OH TYR B 104 -2.589 2.719 -13.221 1.00 0.00 O ATOM 0 H TYR B 104 -0.625 6.058 -17.907 1.00 0.00 H new ATOM 0 HA TYR B 104 1.830 7.418 -17.229 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.831 6.660 -14.884 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.426 7.665 -15.183 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.832 6.574 -15.499 1.00 0.00 H new ATOM 0 HD2 TYR B 104 1.586 4.434 -13.992 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -3.342 4.866 -14.528 1.00 0.00 H new ATOM 0 HE2 TYR B 104 0.079 2.722 -12.991 1.00 0.00 H new ATOM 0 HH TYR B 104 -2.090 1.898 -13.027 1.00 0.00 H new ATOM 1582 N ASP B 105 3.215 5.348 -17.027 1.00 0.00 N ATOM 1583 CA ASP B 105 4.116 4.209 -17.225 1.00 0.00 C ATOM 1584 C ASP B 105 5.152 4.105 -16.092 1.00 0.00 C ATOM 1585 O ASP B 105 5.837 5.075 -15.763 1.00 0.00 O ATOM 1586 CB ASP B 105 4.798 4.315 -18.600 1.00 0.00 C ATOM 1587 CG ASP B 105 5.541 3.037 -18.999 1.00 0.00 C ATOM 1588 OD1 ASP B 105 4.965 1.928 -18.899 1.00 0.00 O ATOM 1589 OD2 ASP B 105 6.704 3.125 -19.453 1.00 0.00 O ATOM 0 H ASP B 105 3.694 6.174 -16.668 1.00 0.00 H new ATOM 0 HA ASP B 105 3.526 3.293 -17.199 1.00 0.00 H new ATOM 0 HB2 ASP B 105 4.046 4.543 -19.356 1.00 0.00 H new ATOM 0 HB3 ASP B 105 5.500 5.148 -18.588 1.00 0.00 H new ATOM 1594 N ILE B 106 5.270 2.912 -15.505 1.00 0.00 N ATOM 1595 CA ILE B 106 6.170 2.600 -14.383 1.00 0.00 C ATOM 1596 C ILE B 106 7.477 1.999 -14.918 1.00 0.00 C ATOM 1597 O ILE B 106 7.440 1.136 -15.797 1.00 0.00 O ATOM 1598 CB ILE B 106 5.471 1.626 -13.394 1.00 0.00 C ATOM 1599 CG1 ILE B 106 4.094 2.172 -12.930 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.405 1.354 -12.199 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.328 1.275 -11.946 1.00 0.00 C ATOM 0 H ILE B 106 4.724 2.105 -15.806 1.00 0.00 H new ATOM 0 HA ILE B 106 6.408 3.517 -13.844 1.00 0.00 H new ATOM 0 HB ILE B 106 5.273 0.685 -13.908 1.00 0.00 H new ATOM 0 HG12 ILE B 106 4.246 3.146 -12.465 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.471 2.333 -13.810 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.917 0.671 -11.504 1.00 0.00 H new ATOM 0 HG22 ILE B 106 7.332 0.906 -12.557 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.627 2.292 -11.690 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.381 1.747 -11.685 1.00 0.00 H new ATOM 0 HD12 ILE B 106 3.136 0.307 -12.410 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.923 1.133 -11.044 1.00 0.00 H new ATOM 1613 N ASP B 107 8.630 2.411 -14.389 1.00 0.00 N ATOM 1614 CA ASP B 107 9.908 1.704 -14.559 1.00 0.00 C ATOM 1615 C ASP B 107 10.316 1.081 -13.219 1.00 0.00 C ATOM 1616 O ASP B 107 10.644 1.793 -12.267 1.00 0.00 O ATOM 1617 CB ASP B 107 11.002 2.658 -15.066 1.00 0.00 C ATOM 1618 CG ASP B 107 12.219 1.890 -15.592 1.00 0.00 C ATOM 1619 OD1 ASP B 107 12.069 1.163 -16.604 1.00 0.00 O ATOM 1620 OD2 ASP B 107 13.317 2.008 -15.004 1.00 0.00 O ATOM 0 H ASP B 107 8.707 3.256 -13.822 1.00 0.00 H new ATOM 0 HA ASP B 107 9.785 0.919 -15.305 1.00 0.00 H new ATOM 0 HB2 ASP B 107 10.598 3.288 -15.859 1.00 0.00 H new ATOM 0 HB3 ASP B 107 11.311 3.321 -14.258 1.00 0.00 H new ATOM 1625 N LEU B 108 10.279 -0.252 -13.128 1.00 0.00 N ATOM 1626 CA LEU B 108 10.519 -0.968 -11.875 1.00 0.00 C ATOM 1627 C LEU B 108 11.941 -0.802 -11.296 1.00 0.00 C ATOM 1628 O LEU B 108 12.018 -0.590 -10.082 1.00 0.00 O ATOM 1629 CB LEU B 108 10.104 -2.443 -12.059 1.00 0.00 C ATOM 1630 CG LEU B 108 10.177 -3.310 -10.784 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.309 -2.758 -9.643 1.00 0.00 C ATOM 1632 CD2 LEU B 108 9.720 -4.736 -11.121 1.00 0.00 C ATOM 0 H LEU B 108 10.082 -0.863 -13.921 1.00 0.00 H new ATOM 0 HA LEU B 108 9.896 -0.509 -11.107 1.00 0.00 H new ATOM 0 HB2 LEU B 108 9.083 -2.472 -12.441 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.742 -2.891 -12.821 1.00 0.00 H new ATOM 0 HG LEU B 108 11.211 -3.301 -10.440 1.00 0.00 H new ATOM 0 HD11 LEU B 108 9.398 -3.407 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.644 -1.754 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.268 -2.721 -9.963 1.00 0.00 H new ATOM 0 HD21 LEU B 108 9.769 -5.355 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.695 -4.712 -11.490 1.00 0.00 H new ATOM 0 HD23 LEU B 108 10.372 -5.155 -11.888 1.00 0.00 H new ATOM 1644 N PRO B 109 13.055 -0.874 -12.061 1.00 0.00 N ATOM 1645 CA PRO B 109 14.391 -0.880 -11.464 1.00 0.00 C ATOM 1646 C PRO B 109 14.887 0.517 -11.051 1.00 0.00 C ATOM 1647 O PRO B 109 15.541 0.619 -10.013 1.00 0.00 O ATOM 1648 CB PRO B 109 15.290 -1.548 -12.506 1.00 0.00 C ATOM 1649 CG PRO B 109 14.638 -1.162 -13.824 1.00 0.00 C ATOM 1650 CD PRO B 109 13.149 -1.192 -13.484 1.00 0.00 C ATOM 0 HA PRO B 109 14.394 -1.426 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO B 109 16.317 -1.187 -12.443 1.00 0.00 H new ATOM 0 HB3 PRO B 109 15.324 -2.630 -12.375 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.957 -0.175 -14.160 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.886 -1.865 -14.619 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.597 -0.468 -14.083 1.00 0.00 H new ATOM 0 HD3 PRO B 109 12.720 -2.172 -13.694 1.00 0.00 H new ATOM 1658 N ASN B 110 14.581 1.591 -11.799 1.00 0.00 N ATOM 1659 CA ASN B 110 14.823 2.977 -11.342 1.00 0.00 C ATOM 1660 C ASN B 110 13.742 3.465 -10.352 1.00 0.00 C ATOM 1661 O ASN B 110 13.948 4.437 -9.624 1.00 0.00 O ATOM 1662 CB ASN B 110 14.916 3.915 -12.559 1.00 0.00 C ATOM 1663 CG ASN B 110 15.207 5.362 -12.161 1.00 0.00 C ATOM 1664 OD1 ASN B 110 14.316 6.203 -12.112 1.00 0.00 O ATOM 1665 ND2 ASN B 110 16.441 5.685 -11.820 1.00 0.00 N ATOM 0 H ASN B 110 14.164 1.529 -12.728 1.00 0.00 H new ATOM 0 HA ASN B 110 15.769 2.991 -10.801 1.00 0.00 H new ATOM 0 HB2 ASN B 110 15.700 3.561 -13.228 1.00 0.00 H new ATOM 0 HB3 ASN B 110 13.980 3.876 -13.116 1.00 0.00 H new ATOM 0 HD21 ASN B 110 16.654 6.635 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN B 110 17.181 4.985 -11.861 1.00 0.00 H new ATOM 1672 N LYS B 111 12.587 2.785 -10.323 1.00 0.00 N ATOM 1673 CA LYS B 111 11.478 2.967 -9.373 1.00 0.00 C ATOM 1674 C LYS B 111 10.703 4.281 -9.629 1.00 0.00 C ATOM 1675 O LYS B 111 10.130 4.884 -8.707 1.00 0.00 O ATOM 1676 CB LYS B 111 11.959 2.781 -7.914 1.00 0.00 C ATOM 1677 CG LYS B 111 12.762 1.485 -7.703 1.00 0.00 C ATOM 1678 CD LYS B 111 13.375 1.377 -6.303 1.00 0.00 C ATOM 1679 CE LYS B 111 14.304 0.163 -6.180 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.538 0.303 -6.995 1.00 0.00 N ATOM 0 H LYS B 111 12.389 2.050 -11.002 1.00 0.00 H new ATOM 0 HA LYS B 111 10.745 2.179 -9.544 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.576 3.634 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.094 2.778 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.109 0.629 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.558 1.433 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS B 111 13.933 2.286 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.579 1.302 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.578 0.024 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS B 111 13.767 -0.733 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 16.191 -0.476 -6.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.292 0.272 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.996 1.211 -6.778 1.00 0.00 H new ATOM 1694 N LYS B 112 10.691 4.741 -10.891 1.00 0.00 N ATOM 1695 CA LYS B 112 9.980 5.948 -11.327 1.00 0.00 C ATOM 1696 C LYS B 112 8.603 5.649 -11.938 1.00 0.00 C ATOM 1697 O LYS B 112 8.366 4.567 -12.473 1.00 0.00 O ATOM 1698 CB LYS B 112 10.861 6.818 -12.251 1.00 0.00 C ATOM 1699 CG LYS B 112 11.161 6.262 -13.656 1.00 0.00 C ATOM 1700 CD LYS B 112 12.029 7.243 -14.466 1.00 0.00 C ATOM 1701 CE LYS B 112 12.282 6.768 -15.904 1.00 0.00 C ATOM 1702 NZ LYS B 112 13.388 7.527 -16.542 1.00 0.00 N ATOM 0 H LYS B 112 11.186 4.273 -11.650 1.00 0.00 H new ATOM 0 HA LYS B 112 9.777 6.532 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.377 7.788 -12.366 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.811 6.994 -11.746 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.673 5.304 -13.570 1.00 0.00 H new ATOM 0 HG3 LYS B 112 10.226 6.077 -14.185 1.00 0.00 H new ATOM 0 HD2 LYS B 112 11.541 8.217 -14.491 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.985 7.378 -13.960 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.524 5.705 -15.900 1.00 0.00 H new ATOM 0 HE3 LYS B 112 11.372 6.886 -16.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.532 7.181 -17.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 13.146 8.538 -16.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 14.262 7.394 -15.994 1.00 0.00 H new ATOM 1716 N VAL B 113 7.712 6.636 -11.885 1.00 0.00 N ATOM 1717 CA VAL B 113 6.421 6.655 -12.581 1.00 0.00 C ATOM 1718 C VAL B 113 6.355 7.957 -13.375 1.00 0.00 C ATOM 1719 O VAL B 113 6.487 9.037 -12.800 1.00 0.00 O ATOM 1720 CB VAL B 113 5.217 6.566 -11.610 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.904 6.408 -12.397 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.363 5.394 -10.624 1.00 0.00 C ATOM 0 H VAL B 113 7.873 7.480 -11.335 1.00 0.00 H new ATOM 0 HA VAL B 113 6.354 5.782 -13.230 1.00 0.00 H new ATOM 0 HB VAL B 113 5.195 7.494 -11.038 1.00 0.00 H new ATOM 0 HG11 VAL B 113 3.068 6.347 -11.701 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.768 7.267 -13.053 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.946 5.498 -12.995 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.498 5.367 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.425 4.458 -11.178 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.269 5.526 -10.033 1.00 0.00 H new ATOM 1732 N CYS B 114 6.174 7.852 -14.691 1.00 0.00 N ATOM 1733 CA CYS B 114 5.997 8.999 -15.585 1.00 0.00 C ATOM 1734 C CYS B 114 4.498 9.182 -15.860 1.00 0.00 C ATOM 1735 O CYS B 114 3.817 8.199 -16.148 1.00 0.00 O ATOM 1736 CB CYS B 114 6.801 8.754 -16.870 1.00 0.00 C ATOM 1737 SG CYS B 114 8.562 8.503 -16.480 1.00 0.00 S ATOM 0 H CYS B 114 6.146 6.954 -15.175 1.00 0.00 H new ATOM 0 HA CYS B 114 6.368 9.918 -15.132 1.00 0.00 H new ATOM 0 HB2 CYS B 114 6.409 7.880 -17.390 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.689 9.603 -17.544 1.00 0.00 H new ATOM 0 HG CYS B 114 9.225 8.295 -17.579 1.00 0.00 H new ATOM 1743 N ILE B 115 3.972 10.408 -15.754 1.00 0.00 N ATOM 1744 CA ILE B 115 2.520 10.691 -15.830 1.00 0.00 C ATOM 1745 C ILE B 115 2.239 11.855 -16.786 1.00 0.00 C ATOM 1746 O ILE B 115 2.964 12.846 -16.770 1.00 0.00 O ATOM 1747 CB ILE B 115 1.932 10.985 -14.419 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.188 9.790 -13.464 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.430 11.355 -14.505 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.498 9.849 -12.095 1.00 0.00 C ATOM 0 H ILE B 115 4.540 11.243 -15.612 1.00 0.00 H new ATOM 0 HA ILE B 115 2.028 9.801 -16.222 1.00 0.00 H new ATOM 0 HB ILE B 115 2.445 11.852 -14.003 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.870 8.877 -13.967 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.263 9.707 -13.301 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.047 11.555 -13.504 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.309 12.244 -15.124 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.124 10.527 -14.947 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.754 8.959 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.831 10.737 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.418 9.893 -12.234 1.00 0.00 H new ATOM 1762 N GLU B 116 1.151 11.775 -17.552 1.00 0.00 N ATOM 1763 CA GLU B 116 0.497 12.911 -18.198 1.00 0.00 C ATOM 1764 C GLU B 116 -0.924 13.052 -17.625 1.00 0.00 C ATOM 1765 O GLU B 116 -1.717 12.111 -17.697 1.00 0.00 O ATOM 1766 CB GLU B 116 0.484 12.699 -19.720 1.00 0.00 C ATOM 1767 CG GLU B 116 0.140 13.986 -20.480 1.00 0.00 C ATOM 1768 CD GLU B 116 0.047 13.756 -21.992 1.00 0.00 C ATOM 1769 OE1 GLU B 116 0.769 12.897 -22.552 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -0.726 14.473 -22.672 1.00 0.00 O ATOM 0 H GLU B 116 0.686 10.888 -17.746 1.00 0.00 H new ATOM 0 HA GLU B 116 1.040 13.835 -18.001 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.460 12.338 -20.043 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.241 11.925 -19.971 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -0.809 14.379 -20.115 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.899 14.741 -20.275 1.00 0.00 H new ATOM 1777 N SER B 117 -1.258 14.202 -17.038 1.00 0.00 N ATOM 1778 CA SER B 117 -2.575 14.456 -16.422 1.00 0.00 C ATOM 1779 C SER B 117 -3.167 15.847 -16.741 1.00 0.00 C ATOM 1780 O SER B 117 -2.514 16.687 -17.359 1.00 0.00 O ATOM 1781 CB SER B 117 -2.462 14.262 -14.900 1.00 0.00 C ATOM 1782 OG SER B 117 -1.977 15.416 -14.229 1.00 0.00 O ATOM 0 H SER B 117 -0.620 14.995 -16.973 1.00 0.00 H new ATOM 0 HA SER B 117 -3.270 13.738 -16.858 1.00 0.00 H new ATOM 0 HB2 SER B 117 -3.441 14.000 -14.499 1.00 0.00 H new ATOM 0 HB3 SER B 117 -1.798 13.423 -14.694 1.00 0.00 H new ATOM 0 HG SER B 117 -1.012 15.328 -14.083 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.397 16.126 -16.285 1.00 0.00 N ATOM 1789 CA GLU B 118 -4.964 17.486 -16.172 1.00 0.00 C ATOM 1790 C GLU B 118 -4.910 18.024 -14.714 1.00 0.00 C ATOM 1791 O GLU B 118 -5.547 19.037 -14.399 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.422 17.480 -16.684 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.599 17.169 -18.181 1.00 0.00 C ATOM 1794 CD GLU B 118 -6.159 18.305 -19.110 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -6.733 19.417 -19.041 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -5.257 18.082 -19.952 1.00 0.00 O ATOM 0 H GLU B 118 -5.043 15.399 -15.977 1.00 0.00 H new ATOM 0 HA GLU B 118 -4.358 18.154 -16.784 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -6.987 16.746 -16.109 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -6.864 18.455 -16.479 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.029 16.273 -18.425 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.648 16.942 -18.373 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.210 17.342 -13.803 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.299 17.520 -12.345 1.00 0.00 C ATOM 1805 C HIS B 119 -3.103 18.295 -11.741 1.00 0.00 C ATOM 1806 O HIS B 119 -2.189 18.737 -12.436 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.440 16.123 -11.700 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.638 15.339 -12.182 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -6.951 15.743 -12.128 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -5.633 14.090 -12.741 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.710 14.775 -12.661 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -6.951 13.745 -13.075 1.00 0.00 N ATOM 0 H HIS B 119 -3.538 16.622 -14.068 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.172 18.137 -12.130 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.537 15.548 -11.904 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.507 16.239 -10.618 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -4.761 13.473 -12.899 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.786 14.817 -12.746 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -7.267 12.892 -13.535 1.00 0.00 H new ATOM 1820 N SER B 120 -3.112 18.493 -10.423 1.00 0.00 N ATOM 1821 CA SER B 120 -1.997 19.052 -9.649 1.00 0.00 C ATOM 1822 C SER B 120 -1.029 17.960 -9.162 1.00 0.00 C ATOM 1823 O SER B 120 -1.447 16.854 -8.802 1.00 0.00 O ATOM 1824 CB SER B 120 -2.575 19.828 -8.459 1.00 0.00 C ATOM 1825 OG SER B 120 -1.574 20.401 -7.641 1.00 0.00 O ATOM 0 H SER B 120 -3.919 18.263 -9.844 1.00 0.00 H new ATOM 0 HA SER B 120 -1.420 19.717 -10.292 1.00 0.00 H new ATOM 0 HB2 SER B 120 -3.231 20.616 -8.829 1.00 0.00 H new ATOM 0 HB3 SER B 120 -3.190 19.158 -7.858 1.00 0.00 H new ATOM 0 HG SER B 120 -1.995 20.885 -6.900 1.00 0.00 H new ATOM 1831 N MET B 121 0.266 18.298 -9.078 1.00 0.00 N ATOM 1832 CA MET B 121 1.313 17.484 -8.447 1.00 0.00 C ATOM 1833 C MET B 121 0.915 17.069 -7.025 1.00 0.00 C ATOM 1834 O MET B 121 1.121 15.918 -6.642 1.00 0.00 O ATOM 1835 CB MET B 121 2.610 18.314 -8.421 1.00 0.00 C ATOM 1836 CG MET B 121 3.838 17.510 -7.981 1.00 0.00 C ATOM 1837 SD MET B 121 5.214 18.497 -7.328 1.00 0.00 S ATOM 1838 CE MET B 121 5.566 19.552 -8.758 1.00 0.00 C ATOM 0 H MET B 121 0.624 19.173 -9.460 1.00 0.00 H new ATOM 0 HA MET B 121 1.458 16.568 -9.020 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.790 18.724 -9.415 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.478 19.160 -7.746 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.530 16.795 -7.218 1.00 0.00 H new ATOM 0 HG3 MET B 121 4.198 16.932 -8.832 1.00 0.00 H new ATOM 0 HE1 MET B 121 6.447 20.160 -8.554 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.750 18.929 -9.633 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.713 20.203 -8.949 1.00 0.00 H new ATOM 1848 N ASP B 122 0.293 17.982 -6.272 1.00 0.00 N ATOM 1849 CA ASP B 122 -0.209 17.756 -4.915 1.00 0.00 C ATOM 1850 C ASP B 122 -1.221 16.604 -4.854 1.00 0.00 C ATOM 1851 O ASP B 122 -1.151 15.782 -3.942 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.871 19.053 -4.427 1.00 0.00 C ATOM 1853 CG ASP B 122 -1.473 18.910 -3.029 1.00 0.00 C ATOM 1854 OD1 ASP B 122 -0.705 18.911 -2.044 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -2.718 18.851 -2.906 1.00 0.00 O ATOM 0 H ASP B 122 0.120 18.931 -6.603 1.00 0.00 H new ATOM 0 HA ASP B 122 0.630 17.478 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP B 122 -0.133 19.855 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -1.653 19.345 -5.128 1.00 0.00 H new ATOM 1860 N THR B 123 -2.135 16.549 -5.833 1.00 0.00 N ATOM 1861 CA THR B 123 -3.219 15.562 -5.948 1.00 0.00 C ATOM 1862 C THR B 123 -2.670 14.190 -6.303 1.00 0.00 C ATOM 1863 O THR B 123 -3.055 13.201 -5.677 1.00 0.00 O ATOM 1864 CB THR B 123 -4.232 16.030 -7.001 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.632 17.343 -6.683 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.493 15.168 -7.038 1.00 0.00 C ATOM 0 H THR B 123 -2.139 17.221 -6.600 1.00 0.00 H new ATOM 0 HA THR B 123 -3.721 15.478 -4.984 1.00 0.00 H new ATOM 0 HB THR B 123 -3.741 15.961 -7.972 1.00 0.00 H new ATOM 0 HG1 THR B 123 -5.279 17.658 -7.348 1.00 0.00 H new ATOM 0 HG21 THR B 123 -6.171 15.548 -7.802 1.00 0.00 H new ATOM 0 HG22 THR B 123 -5.223 14.138 -7.272 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.985 15.202 -6.066 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.746 14.135 -7.267 1.00 0.00 N ATOM 1875 CA LEU B 124 -1.065 12.901 -7.671 1.00 0.00 C ATOM 1876 C LEU B 124 -0.226 12.334 -6.518 1.00 0.00 C ATOM 1877 O LEU B 124 -0.336 11.147 -6.210 1.00 0.00 O ATOM 1878 CB LEU B 124 -0.209 13.176 -8.924 1.00 0.00 C ATOM 1879 CG LEU B 124 -1.012 13.587 -10.179 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.039 13.950 -11.306 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.959 12.479 -10.664 1.00 0.00 C ATOM 0 H LEU B 124 -1.447 14.955 -7.795 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.808 12.143 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.506 13.966 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.368 12.281 -9.156 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.627 14.445 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.602 14.240 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.592 14.780 -10.989 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.586 13.088 -11.539 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.498 12.822 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.381 11.590 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.672 12.238 -9.875 1.00 0.00 H new ATOM 1893 N LEU B 125 0.549 13.179 -5.827 1.00 0.00 N ATOM 1894 CA LEU B 125 1.289 12.788 -4.625 1.00 0.00 C ATOM 1895 C LEU B 125 0.355 12.368 -3.485 1.00 0.00 C ATOM 1896 O LEU B 125 0.645 11.378 -2.825 1.00 0.00 O ATOM 1897 CB LEU B 125 2.226 13.931 -4.192 1.00 0.00 C ATOM 1898 CG LEU B 125 3.497 14.080 -5.053 1.00 0.00 C ATOM 1899 CD1 LEU B 125 4.210 15.390 -4.694 1.00 0.00 C ATOM 1900 CD2 LEU B 125 4.470 12.906 -4.847 1.00 0.00 C ATOM 0 H LEU B 125 0.680 14.156 -6.088 1.00 0.00 H new ATOM 0 HA LEU B 125 1.892 11.913 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU B 125 1.671 14.869 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.522 13.768 -3.156 1.00 0.00 H new ATOM 0 HG LEU B 125 3.189 14.086 -6.098 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.108 15.494 -5.303 1.00 0.00 H new ATOM 0 HD12 LEU B 125 3.543 16.231 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU B 125 4.486 15.377 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.352 13.050 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU B 125 4.770 12.862 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU B 125 3.978 11.973 -5.123 1.00 0.00 H new ATOM 1912 N ALA B 126 -0.779 13.039 -3.268 1.00 0.00 N ATOM 1913 CA ALA B 126 -1.736 12.674 -2.218 1.00 0.00 C ATOM 1914 C ALA B 126 -2.382 11.295 -2.451 1.00 0.00 C ATOM 1915 O ALA B 126 -2.727 10.617 -1.478 1.00 0.00 O ATOM 1916 CB ALA B 126 -2.790 13.782 -2.094 1.00 0.00 C ATOM 0 H ALA B 126 -1.061 13.852 -3.816 1.00 0.00 H new ATOM 0 HA ALA B 126 -1.193 12.583 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -3.505 13.518 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -2.302 14.721 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -3.313 13.895 -3.044 1.00 0.00 H new ATOM 1922 N THR B 127 -2.529 10.865 -3.712 1.00 0.00 N ATOM 1923 CA THR B 127 -2.889 9.486 -4.074 1.00 0.00 C ATOM 1924 C THR B 127 -1.722 8.536 -3.825 1.00 0.00 C ATOM 1925 O THR B 127 -1.885 7.574 -3.082 1.00 0.00 O ATOM 1926 CB THR B 127 -3.417 9.442 -5.512 1.00 0.00 C ATOM 1927 OG1 THR B 127 -4.660 10.102 -5.512 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.656 8.029 -6.040 1.00 0.00 C ATOM 0 H THR B 127 -2.400 11.473 -4.521 1.00 0.00 H new ATOM 0 HA THR B 127 -3.698 9.138 -3.431 1.00 0.00 H new ATOM 0 HB THR B 127 -2.666 9.904 -6.152 1.00 0.00 H new ATOM 0 HG1 THR B 127 -4.809 10.519 -6.386 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.029 8.081 -7.063 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.720 7.471 -6.023 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.390 7.525 -5.411 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.535 8.805 -4.382 1.00 0.00 N ATOM 1937 CA LEU B 128 0.636 7.925 -4.242 1.00 0.00 C ATOM 1938 C LEU B 128 1.041 7.681 -2.777 1.00 0.00 C ATOM 1939 O LEU B 128 1.377 6.551 -2.420 1.00 0.00 O ATOM 1940 CB LEU B 128 1.814 8.512 -5.041 1.00 0.00 C ATOM 1941 CG LEU B 128 1.671 8.437 -6.576 1.00 0.00 C ATOM 1942 CD1 LEU B 128 2.757 9.299 -7.238 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.784 6.991 -7.085 1.00 0.00 C ATOM 0 H LEU B 128 -0.357 9.638 -4.943 1.00 0.00 H new ATOM 0 HA LEU B 128 0.360 6.950 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU B 128 1.942 9.556 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU B 128 2.725 7.989 -4.751 1.00 0.00 H new ATOM 0 HG LEU B 128 0.682 8.812 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.654 9.245 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU B 128 2.647 10.334 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.741 8.931 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.678 6.978 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.757 6.583 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU B 128 0.997 6.385 -6.636 1.00 0.00 H new ATOM 1955 N LYS B 129 0.956 8.700 -1.914 1.00 0.00 N ATOM 1956 CA LYS B 129 1.256 8.621 -0.475 1.00 0.00 C ATOM 1957 C LYS B 129 0.361 7.629 0.290 1.00 0.00 C ATOM 1958 O LYS B 129 0.783 7.111 1.322 1.00 0.00 O ATOM 1959 CB LYS B 129 1.168 10.034 0.139 1.00 0.00 C ATOM 1960 CG LYS B 129 2.388 10.893 -0.232 1.00 0.00 C ATOM 1961 CD LYS B 129 2.175 12.378 0.085 1.00 0.00 C ATOM 1962 CE LYS B 129 3.386 13.178 -0.410 1.00 0.00 C ATOM 1963 NZ LYS B 129 3.136 14.638 -0.374 1.00 0.00 N ATOM 0 H LYS B 129 0.667 9.634 -2.205 1.00 0.00 H new ATOM 0 HA LYS B 129 2.269 8.230 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS B 129 0.259 10.525 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS B 129 1.095 9.955 1.224 1.00 0.00 H new ATOM 0 HG2 LYS B 129 3.262 10.531 0.309 1.00 0.00 H new ATOM 0 HG3 LYS B 129 2.600 10.778 -1.295 1.00 0.00 H new ATOM 0 HD2 LYS B 129 1.265 12.738 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS B 129 2.045 12.518 1.158 1.00 0.00 H new ATOM 0 HE2 LYS B 129 4.253 12.943 0.207 1.00 0.00 H new ATOM 0 HE3 LYS B 129 3.629 12.876 -1.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 3.978 15.143 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 2.324 14.866 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 2.930 14.931 0.602 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.823 7.264 -0.218 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.637 6.200 0.391 1.00 0.00 C ATOM 1979 C LYS B 130 -0.918 4.834 0.352 1.00 0.00 C ATOM 1980 O LYS B 130 -0.981 4.092 1.328 1.00 0.00 O ATOM 1981 CB LYS B 130 -3.014 6.144 -0.298 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.897 7.381 -0.029 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.679 7.291 1.293 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.816 6.263 1.198 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.433 5.991 2.515 1.00 0.00 N ATOM 0 H LYS B 130 -1.239 7.688 -1.047 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.786 6.435 1.445 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.868 6.041 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -3.542 5.252 0.039 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.268 8.271 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -4.601 7.503 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.002 7.014 2.101 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -5.090 8.269 1.543 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -6.578 6.629 0.510 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -5.429 5.333 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -7.288 5.413 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.757 5.478 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -6.689 6.890 2.971 1.00 0.00 H new ATOM 1999 N THR B 131 -0.146 4.540 -0.705 1.00 0.00 N ATOM 2000 CA THR B 131 0.509 3.236 -0.973 1.00 0.00 C ATOM 2001 C THR B 131 1.583 2.801 0.042 1.00 0.00 C ATOM 2002 O THR B 131 2.118 1.701 -0.093 1.00 0.00 O ATOM 2003 CB THR B 131 1.100 3.185 -2.399 1.00 0.00 C ATOM 2004 OG1 THR B 131 0.490 4.120 -3.256 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.906 1.807 -3.039 1.00 0.00 C ATOM 0 H THR B 131 0.052 5.228 -1.431 1.00 0.00 H new ATOM 0 HA THR B 131 -0.304 2.518 -0.866 1.00 0.00 H new ATOM 0 HB THR B 131 2.160 3.412 -2.283 1.00 0.00 H new ATOM 0 HG1 THR B 131 0.888 5.004 -3.112 1.00 0.00 H new ATOM 0 HG21 THR B 131 1.334 1.808 -4.041 1.00 0.00 H new ATOM 0 HG22 THR B 131 1.404 1.051 -2.432 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.158 1.580 -3.099 1.00 0.00 H new ATOM 2013 N GLY B 132 1.934 3.630 1.032 1.00 0.00 N ATOM 2014 CA GLY B 132 2.845 3.257 2.125 1.00 0.00 C ATOM 2015 C GLY B 132 4.321 3.348 1.738 1.00 0.00 C ATOM 2016 O GLY B 132 5.032 2.349 1.840 1.00 0.00 O ATOM 0 H GLY B 132 1.591 4.588 1.099 1.00 0.00 H new ATOM 0 HA2 GLY B 132 2.660 3.906 2.981 1.00 0.00 H new ATOM 0 HA3 GLY B 132 2.622 2.239 2.443 1.00 0.00 H new ATOM 2020 N LYS B 133 4.768 4.516 1.257 1.00 0.00 N ATOM 2021 CA LYS B 133 6.151 4.818 0.838 1.00 0.00 C ATOM 2022 C LYS B 133 6.528 6.286 1.060 1.00 0.00 C ATOM 2023 O LYS B 133 5.713 7.188 0.837 1.00 0.00 O ATOM 2024 CB LYS B 133 6.385 4.497 -0.658 1.00 0.00 C ATOM 2025 CG LYS B 133 6.449 3.003 -1.005 1.00 0.00 C ATOM 2026 CD LYS B 133 5.100 2.467 -1.506 1.00 0.00 C ATOM 2027 CE LYS B 133 5.055 0.939 -1.582 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.315 0.319 -0.259 1.00 0.00 N ATOM 0 H LYS B 133 4.148 5.318 1.142 1.00 0.00 H new ATOM 0 HA LYS B 133 6.778 4.183 1.463 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.585 4.955 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.317 4.967 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS B 133 7.209 2.841 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS B 133 6.758 2.440 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS B 133 4.308 2.816 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS B 133 4.895 2.881 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.079 0.621 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.795 0.588 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 4.671 -0.486 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.299 -0.014 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.157 1.022 0.491 1.00 0.00 H new ATOM 2042 N THR B 134 7.810 6.526 1.350 1.00 0.00 N ATOM 2043 CA THR B 134 8.462 7.804 1.047 1.00 0.00 C ATOM 2044 C THR B 134 8.495 7.952 -0.475 1.00 0.00 C ATOM 2045 O THR B 134 9.124 7.161 -1.178 1.00 0.00 O ATOM 2046 CB THR B 134 9.845 7.873 1.690 1.00 0.00 C ATOM 2047 OG1 THR B 134 9.677 7.721 3.081 1.00 0.00 O ATOM 2048 CG2 THR B 134 10.526 9.223 1.460 1.00 0.00 C ATOM 0 H THR B 134 8.422 5.845 1.799 1.00 0.00 H new ATOM 0 HA THR B 134 7.907 8.642 1.469 1.00 0.00 H new ATOM 0 HB THR B 134 10.464 7.094 1.246 1.00 0.00 H new ATOM 0 HG1 THR B 134 10.551 7.759 3.522 1.00 0.00 H new ATOM 0 HG21 THR B 134 11.506 9.222 1.937 1.00 0.00 H new ATOM 0 HG22 THR B 134 10.643 9.394 0.390 1.00 0.00 H new ATOM 0 HG23 THR B 134 9.915 10.017 1.889 1.00 0.00 H new ATOM 2056 N VAL B 135 7.748 8.923 -0.979 1.00 0.00 N ATOM 2057 CA VAL B 135 7.507 9.196 -2.410 1.00 0.00 C ATOM 2058 C VAL B 135 7.733 10.682 -2.729 1.00 0.00 C ATOM 2059 O VAL B 135 7.397 11.551 -1.926 1.00 0.00 O ATOM 2060 CB VAL B 135 6.093 8.717 -2.825 1.00 0.00 C ATOM 2061 CG1 VAL B 135 4.948 9.427 -2.085 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.851 8.833 -4.339 1.00 0.00 C ATOM 0 H VAL B 135 7.261 9.586 -0.376 1.00 0.00 H new ATOM 0 HA VAL B 135 8.227 8.630 -3.001 1.00 0.00 H new ATOM 0 HB VAL B 135 6.080 7.667 -2.533 1.00 0.00 H new ATOM 0 HG11 VAL B 135 3.992 9.035 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL B 135 5.044 9.252 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL B 135 4.995 10.498 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.846 8.484 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.955 9.874 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.581 8.223 -4.872 1.00 0.00 H new ATOM 2072 N SER B 136 8.314 10.986 -3.894 1.00 0.00 N ATOM 2073 CA SER B 136 8.686 12.363 -4.271 1.00 0.00 C ATOM 2074 C SER B 136 8.555 12.646 -5.775 1.00 0.00 C ATOM 2075 O SER B 136 8.704 11.752 -6.609 1.00 0.00 O ATOM 2076 CB SER B 136 10.133 12.676 -3.849 1.00 0.00 C ATOM 2077 OG SER B 136 10.389 12.420 -2.475 1.00 0.00 O ATOM 0 H SER B 136 8.541 10.290 -4.604 1.00 0.00 H new ATOM 0 HA SER B 136 7.979 13.003 -3.744 1.00 0.00 H new ATOM 0 HB2 SER B 136 10.817 12.082 -4.455 1.00 0.00 H new ATOM 0 HB3 SER B 136 10.347 13.723 -4.062 1.00 0.00 H new ATOM 0 HG SER B 136 11.323 12.636 -2.270 1.00 0.00 H new ATOM 2083 N TYR B 137 8.332 13.915 -6.128 1.00 0.00 N ATOM 2084 CA TYR B 137 8.446 14.438 -7.493 1.00 0.00 C ATOM 2085 C TYR B 137 9.914 14.692 -7.877 1.00 0.00 C ATOM 2086 O TYR B 137 10.703 15.202 -7.073 1.00 0.00 O ATOM 2087 CB TYR B 137 7.634 15.738 -7.589 1.00 0.00 C ATOM 2088 CG TYR B 137 7.815 16.524 -8.878 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.114 16.158 -10.043 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.687 17.631 -8.910 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.246 16.924 -11.219 1.00 0.00 C ATOM 2092 CE2 TYR B 137 8.830 18.393 -10.084 1.00 0.00 C ATOM 2093 CZ TYR B 137 8.091 18.056 -11.239 1.00 0.00 C ATOM 2094 OH TYR B 137 8.189 18.822 -12.360 1.00 0.00 O ATOM 0 H TYR B 137 8.059 14.628 -5.452 1.00 0.00 H new ATOM 0 HA TYR B 137 8.054 13.699 -8.191 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.577 15.496 -7.476 1.00 0.00 H new ATOM 0 HB3 TYR B 137 7.906 16.379 -6.751 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.474 15.288 -10.036 1.00 0.00 H new ATOM 0 HD2 TYR B 137 9.249 17.896 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.699 16.645 -12.108 1.00 0.00 H new ATOM 0 HE2 TYR B 137 9.505 19.236 -10.102 1.00 0.00 H new ATOM 0 HH TYR B 137 8.813 19.560 -12.198 1.00 0.00 H new ATOM 2104 N LEU B 138 10.266 14.406 -9.136 1.00 0.00 N ATOM 2105 CA LEU B 138 11.584 14.715 -9.696 1.00 0.00 C ATOM 2106 C LEU B 138 11.572 14.929 -11.220 1.00 0.00 C ATOM 2107 O LEU B 138 12.395 14.370 -11.952 1.00 0.00 O ATOM 2108 CB LEU B 138 12.674 13.747 -9.165 1.00 0.00 C ATOM 2109 CG LEU B 138 12.352 12.240 -9.054 1.00 0.00 C ATOM 2110 CD1 LEU B 138 11.733 11.628 -10.317 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.658 11.506 -8.707 1.00 0.00 C ATOM 0 H LEU B 138 9.638 13.950 -9.799 1.00 0.00 H new ATOM 0 HA LEU B 138 11.873 15.697 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU B 138 13.547 13.850 -9.810 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.967 14.094 -8.174 1.00 0.00 H new ATOM 0 HG LEU B 138 11.595 12.125 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU B 138 11.540 10.568 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU B 138 10.796 12.136 -10.546 1.00 0.00 H new ATOM 0 HD13 LEU B 138 12.423 11.744 -11.153 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.463 10.437 -8.622 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.393 11.679 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU B 138 14.045 11.881 -7.760 1.00 0.00 H new ATOM 2123 N GLY B 139 10.736 15.874 -11.663 1.00 0.00 N ATOM 2124 CA GLY B 139 10.998 16.687 -12.857 1.00 0.00 C ATOM 2125 C GLY B 139 9.969 16.638 -13.986 1.00 0.00 C ATOM 2126 O GLY B 139 9.016 15.854 -13.987 1.00 0.00 O ATOM 0 H GLY B 139 9.854 16.098 -11.202 1.00 0.00 H new ATOM 0 HA2 GLY B 139 11.101 17.725 -12.541 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.961 16.382 -13.267 1.00 0.00 H new ATOM 2130 N LEU B 140 10.204 17.525 -14.956 1.00 0.00 N ATOM 2131 CA LEU B 140 9.462 17.714 -16.205 1.00 0.00 C ATOM 2132 C LEU B 140 9.971 16.768 -17.311 1.00 0.00 C ATOM 2133 O LEU B 140 11.089 16.245 -17.238 1.00 0.00 O ATOM 2134 CB LEU B 140 9.635 19.206 -16.581 1.00 0.00 C ATOM 2135 CG LEU B 140 8.901 19.720 -17.838 1.00 0.00 C ATOM 2136 CD1 LEU B 140 7.383 19.533 -17.736 1.00 0.00 C ATOM 2137 CD2 LEU B 140 9.211 21.207 -18.055 1.00 0.00 C ATOM 0 H LEU B 140 10.980 18.182 -14.882 1.00 0.00 H new ATOM 0 HA LEU B 140 8.407 17.468 -16.085 1.00 0.00 H new ATOM 0 HB2 LEU B 140 9.306 19.806 -15.732 1.00 0.00 H new ATOM 0 HB3 LEU B 140 10.700 19.397 -16.713 1.00 0.00 H new ATOM 0 HG LEU B 140 9.259 19.132 -18.683 1.00 0.00 H new ATOM 0 HD11 LEU B 140 6.908 19.909 -18.642 1.00 0.00 H new ATOM 0 HD12 LEU B 140 7.154 18.474 -17.619 1.00 0.00 H new ATOM 0 HD13 LEU B 140 7.006 20.083 -16.874 1.00 0.00 H new ATOM 0 HD21 LEU B 140 8.689 21.562 -18.944 1.00 0.00 H new ATOM 0 HD22 LEU B 140 8.880 21.778 -17.188 1.00 0.00 H new ATOM 0 HD23 LEU B 140 10.285 21.339 -18.188 1.00 0.00 H new ATOM 2149 N GLU B 141 9.179 16.581 -18.372 1.00 0.00 N ATOM 2150 CA GLU B 141 9.612 15.978 -19.649 1.00 0.00 C ATOM 2151 C GLU B 141 10.024 17.035 -20.678 1.00 0.00 C ATOM 2152 O GLU B 141 9.173 17.828 -21.142 1.00 0.00 O ATOM 2153 CB GLU B 141 8.521 15.046 -20.189 1.00 0.00 C ATOM 2154 CG GLU B 141 8.963 14.328 -21.474 1.00 0.00 C ATOM 2155 CD GLU B 141 7.926 13.295 -21.930 1.00 0.00 C ATOM 2156 OE1 GLU B 141 6.871 13.671 -22.496 1.00 0.00 O ATOM 2157 OE2 GLU B 141 8.121 12.077 -21.696 1.00 0.00 O ATOM 2158 OXT GLU B 141 11.213 17.047 -21.061 1.00 0.00 O ATOM 0 H GLU B 141 8.195 16.849 -18.373 1.00 0.00 H new ATOM 0 HA GLU B 141 10.505 15.383 -19.455 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.267 14.307 -19.429 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.617 15.622 -20.388 1.00 0.00 H new ATOM 0 HG2 GLU B 141 9.119 15.061 -22.265 1.00 0.00 H new ATOM 0 HG3 GLU B 141 9.919 13.833 -21.304 1.00 0.00 H new TER 2165 GLU B 141 HETATM 2166 CU CU A 142 6.047 -6.953 -3.341 1.00 0.00 CU