USER MOD reduce.3.24.130724 H: found=0, std=0, add=1156, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1156 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.3!) USER MOD Set 1.2: A 114 TYR OH : rot 178:sc= 0.034 USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= -0.241 USER MOD Set 2.2: A 104 ASN : amide:sc= -0.227 K(o=-0.47,f=-6.1!) USER MOD Set 3.1: A 60 SER OG : rot -165:sc= 0.325 USER MOD Set 3.2: A 66 SER OG : rot 160:sc= -0.0906 USER MOD Set 4.1: A 36 HIS : no HE2:sc= 0.721 K(o=1.4,f=-4.8) USER MOD Set 4.2: A 42 TYR OH : rot -127:sc= 0.65 USER MOD Set 5.1: A 23 ASN : amide:sc= 0.37 X(o=-0.51,f=-0.92) USER MOD Set 5.2: A 101 HIS : no HE2:sc= -0.883 K(o=-0.51,f=-3.7!) USER MOD Set 6.1: A 20 THR OG1 : rot -96:sc= -0.974 USER MOD Set 6.2: A 117 ASN : amide:sc= 0.222 K(o=-0.75,f=-4.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0187 (180deg=-0.284) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 84:sc= 0.00327 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.865 F(o=-3.2!,f=-0.86) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN :FLIP amide:sc= -8.45! C(o=-9.7!,f=-8.4!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.31) USER MOD Single : A 22 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0.00653 K(o=0.0065,f=-2.3!) USER MOD Single : A 31 ASN : amide:sc= 0.958 K(o=0.96,f=-6.7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0367) USER MOD Single : A 47 SER OG : rot -33:sc= -0.173 USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.533 (180deg=0.52) USER MOD Single : A 53 THR OG1 : rot 33:sc= 0.576 USER MOD Single : A 54 SER OG : rot -120:sc= -1.32 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 169:sc= 0.692 (180deg=0.561) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0853 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= 0.913 (180deg=0.169) USER MOD Single : A 78 LYS NZ :NH3+ 145:sc= -1.39 (180deg=-3.15!) USER MOD Single : A 81 THR OG1 : rot -35:sc= 0.39 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.208 K(o=0.21,f=-1.2) USER MOD Single : A 85 MET CE :methyl -151:sc= 0 (180deg=-0.437) USER MOD Single : A 92 SER OG : rot 52:sc= 0.406 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -5:sc= 0.822 USER MOD Single : A 98 HIS : no HD1:sc= -3.02 K(o=-3,f=-4.5!) USER MOD Single : A 115 CYS SG : rot 57:sc= 0.339 USER MOD Single : A 118 SER OG : rot -130:sc= -0.041 USER MOD Single : A 126 LYS NZ :NH3+ 171:sc= -0.293 (180deg=-0.399) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 179:sc= 1.07 (180deg=1.07) USER MOD Single : A 130 LYS NZ :NH3+ 166:sc= -0.0388 (180deg=-0.328) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 TYR OH : rot 173:sc= 0.00147 USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 143 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.156) USER MOD Single : A 146 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.713 12.452 18.837 1.00 0.00 N ATOM 2 CA MET A 1 -21.685 12.249 17.789 1.00 0.00 C ATOM 3 C MET A 1 -21.221 10.782 17.780 1.00 0.00 C ATOM 4 O MET A 1 -20.807 10.258 18.815 1.00 0.00 O ATOM 5 CB MET A 1 -20.480 13.205 18.035 1.00 0.00 C ATOM 6 CG MET A 1 -20.829 14.702 17.976 1.00 0.00 C ATOM 7 SD MET A 1 -19.463 15.768 18.489 1.00 0.00 S ATOM 8 CE MET A 1 -20.165 17.405 18.253 1.00 0.00 C ATOM 0 H1 MET A 1 -23.211 13.349 18.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.395 11.667 18.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.256 12.483 19.771 1.00 0.00 H new ATOM 0 HA MET A 1 -22.117 12.479 16.815 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.051 12.984 19.012 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.709 12.995 17.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.122 14.961 16.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.691 14.894 18.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.430 18.160 18.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.440 17.535 17.206 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.051 17.514 18.878 1.00 0.00 H new ATOM 20 N ALA A 2 -21.325 10.122 16.608 1.00 0.00 N ATOM 21 CA ALA A 2 -20.854 8.732 16.399 1.00 0.00 C ATOM 22 C ALA A 2 -19.577 8.740 15.550 1.00 0.00 C ATOM 23 O ALA A 2 -19.221 9.769 14.973 1.00 0.00 O ATOM 24 CB ALA A 2 -21.958 7.896 15.728 1.00 0.00 C ATOM 0 H ALA A 2 -21.740 10.538 15.774 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.624 8.278 17.363 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.602 6.877 15.579 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.842 7.882 16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.213 8.336 14.764 1.00 0.00 H new ATOM 30 N TYR A 3 -18.880 7.597 15.486 1.00 0.00 N ATOM 31 CA TYR A 3 -17.638 7.481 14.706 1.00 0.00 C ATOM 32 C TYR A 3 -17.970 7.425 13.208 1.00 0.00 C ATOM 33 O TYR A 3 -18.228 6.351 12.645 1.00 0.00 O ATOM 34 CB TYR A 3 -16.808 6.258 15.170 1.00 0.00 C ATOM 35 CG TYR A 3 -16.418 6.331 16.656 1.00 0.00 C ATOM 36 CD1 TYR A 3 -15.545 7.323 17.112 1.00 0.00 C ATOM 37 CD2 TYR A 3 -16.939 5.442 17.603 1.00 0.00 C ATOM 38 CE1 TYR A 3 -15.203 7.420 18.444 1.00 0.00 C ATOM 39 CE2 TYR A 3 -16.597 5.543 18.940 1.00 0.00 C ATOM 40 CZ TYR A 3 -15.730 6.533 19.355 1.00 0.00 C ATOM 41 OH TYR A 3 -15.398 6.639 20.685 1.00 0.00 O ATOM 0 H TYR A 3 -19.154 6.739 15.965 1.00 0.00 H new ATOM 0 HA TYR A 3 -17.019 8.362 14.878 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.381 5.348 14.994 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.904 6.188 14.565 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.130 8.028 16.407 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.619 4.665 17.285 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.522 8.191 18.772 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -17.008 4.848 19.657 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.856 5.937 21.193 1.00 0.00 H new ATOM 51 N ASN A 4 -18.016 8.621 12.594 1.00 0.00 N ATOM 52 CA ASN A 4 -18.295 8.795 11.161 1.00 0.00 C ATOM 53 C ASN A 4 -17.006 8.648 10.352 1.00 0.00 C ATOM 54 O ASN A 4 -15.914 8.932 10.857 1.00 0.00 O ATOM 55 CB ASN A 4 -18.937 10.189 10.890 1.00 0.00 C ATOM 56 CG ASN A 4 -20.347 10.332 11.468 1.00 0.00 C ATOM 57 OD1 ASN A 4 -20.526 10.774 12.598 1.00 0.00 O ATOM 58 ND2 ASN A 4 -21.352 9.965 10.685 1.00 0.00 N ATOM 0 H ASN A 4 -17.859 9.501 13.085 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.000 8.023 10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -18.298 10.964 11.314 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -18.974 10.361 9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -22.313 10.046 11.017 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -21.164 9.602 9.751 1.00 0.00 H new ATOM 65 N LYS A 5 -17.158 8.201 9.094 1.00 0.00 N ATOM 66 CA LYS A 5 -16.039 8.068 8.150 1.00 0.00 C ATOM 67 C LYS A 5 -15.316 9.411 7.969 1.00 0.00 C ATOM 68 O LYS A 5 -14.103 9.472 8.106 1.00 0.00 O ATOM 69 CB LYS A 5 -16.539 7.557 6.784 1.00 0.00 C ATOM 70 CG LYS A 5 -17.252 6.195 6.829 1.00 0.00 C ATOM 71 CD LYS A 5 -17.700 5.735 5.428 1.00 0.00 C ATOM 72 CE LYS A 5 -18.459 4.406 5.456 1.00 0.00 C ATOM 73 NZ LYS A 5 -18.829 3.962 4.090 1.00 0.00 N ATOM 0 H LYS A 5 -18.059 7.923 8.705 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.337 7.344 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.221 8.295 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.689 7.485 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.584 5.449 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -18.120 6.261 7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -18.335 6.502 4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -16.825 5.635 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.843 3.644 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.359 4.513 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.342 3.059 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -19.437 4.679 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.968 3.837 3.521 1.00 0.00 H new ATOM 87 N GLU A 6 -16.094 10.476 7.708 1.00 0.00 N ATOM 88 CA GLU A 6 -15.552 11.841 7.505 1.00 0.00 C ATOM 89 C GLU A 6 -14.794 12.342 8.759 1.00 0.00 C ATOM 90 O GLU A 6 -13.752 12.982 8.633 1.00 0.00 O ATOM 91 CB GLU A 6 -16.678 12.839 7.104 1.00 0.00 C ATOM 92 CG GLU A 6 -17.830 12.979 8.123 1.00 0.00 C ATOM 93 CD GLU A 6 -18.851 14.065 7.739 1.00 0.00 C ATOM 94 OE1 GLU A 6 -19.684 13.821 6.842 1.00 0.00 O ATOM 95 OE2 GLU A 6 -18.805 15.171 8.318 1.00 0.00 O ATOM 0 H GLU A 6 -17.110 10.421 7.631 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.838 11.789 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.232 13.821 6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.097 12.524 6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.344 12.022 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.413 13.212 9.103 1.00 0.00 H new ATOM 102 N GLU A 7 -15.347 12.036 9.950 1.00 0.00 N ATOM 103 CA GLU A 7 -14.724 12.350 11.252 1.00 0.00 C ATOM 104 C GLU A 7 -13.327 11.691 11.377 1.00 0.00 C ATOM 105 O GLU A 7 -12.352 12.346 11.764 1.00 0.00 O ATOM 106 CB GLU A 7 -15.658 11.883 12.411 1.00 0.00 C ATOM 107 CG GLU A 7 -15.116 12.156 13.829 1.00 0.00 C ATOM 108 CD GLU A 7 -15.996 11.569 14.949 1.00 0.00 C ATOM 109 OE1 GLU A 7 -15.895 10.349 15.215 1.00 0.00 O ATOM 110 OE2 GLU A 7 -16.784 12.321 15.569 1.00 0.00 O ATOM 0 H GLU A 7 -16.245 11.560 10.036 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.587 13.429 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.622 12.380 12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.837 10.813 12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.112 11.740 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.028 13.233 13.974 1.00 0.00 H new ATOM 117 N LYS A 8 -13.252 10.401 10.990 1.00 0.00 N ATOM 118 CA LYS A 8 -12.029 9.583 11.130 1.00 0.00 C ATOM 119 C LYS A 8 -10.950 10.017 10.123 1.00 0.00 C ATOM 120 O LYS A 8 -9.829 10.329 10.513 1.00 0.00 O ATOM 121 CB LYS A 8 -12.356 8.064 10.975 1.00 0.00 C ATOM 122 CG LYS A 8 -13.272 7.433 12.073 1.00 0.00 C ATOM 123 CD LYS A 8 -12.653 7.433 13.508 1.00 0.00 C ATOM 124 CE LYS A 8 -12.905 8.736 14.303 1.00 0.00 C ATOM 125 NZ LYS A 8 -12.048 8.836 15.501 1.00 0.00 N ATOM 0 H LYS A 8 -14.035 9.898 10.573 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.633 9.745 12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.832 7.915 10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.416 7.513 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.216 7.977 12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.503 6.406 11.790 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.062 6.593 14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.578 7.270 13.429 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.723 9.594 13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.952 8.779 14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.253 9.725 16.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.239 8.032 16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.048 8.822 15.215 1.00 0.00 H new ATOM 139 N ILE A 9 -11.339 10.072 8.842 1.00 0.00 N ATOM 140 CA ILE A 9 -10.440 10.344 7.703 1.00 0.00 C ATOM 141 C ILE A 9 -9.838 11.763 7.786 1.00 0.00 C ATOM 142 O ILE A 9 -8.679 11.958 7.431 1.00 0.00 O ATOM 143 CB ILE A 9 -11.195 10.114 6.324 1.00 0.00 C ATOM 144 CG1 ILE A 9 -11.709 8.637 6.213 1.00 0.00 C ATOM 145 CG2 ILE A 9 -10.310 10.481 5.099 1.00 0.00 C ATOM 146 CD1 ILE A 9 -10.634 7.578 6.348 1.00 0.00 C ATOM 0 H ILE A 9 -12.308 9.926 8.558 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.611 9.639 7.754 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.053 10.786 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.462 8.470 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.204 8.511 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.870 10.307 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.026 11.532 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.413 9.862 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.084 6.589 6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.891 7.712 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.153 7.670 7.322 1.00 0.00 H new ATOM 158 N LYS A 10 -10.622 12.723 8.303 1.00 0.00 N ATOM 159 CA LYS A 10 -10.197 14.134 8.449 1.00 0.00 C ATOM 160 C LYS A 10 -8.967 14.260 9.368 1.00 0.00 C ATOM 161 O LYS A 10 -7.993 14.942 9.025 1.00 0.00 O ATOM 162 CB LYS A 10 -11.377 14.978 9.004 1.00 0.00 C ATOM 163 CG LYS A 10 -11.081 16.480 9.203 1.00 0.00 C ATOM 164 CD LYS A 10 -12.315 17.269 9.698 1.00 0.00 C ATOM 165 CE LYS A 10 -12.825 16.806 11.078 1.00 0.00 C ATOM 166 NZ LYS A 10 -14.046 17.545 11.492 1.00 0.00 N ATOM 0 H LYS A 10 -11.571 12.547 8.633 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.912 14.510 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.223 14.879 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.685 14.556 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.269 16.594 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.736 16.906 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.063 18.328 9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.119 17.167 8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.040 15.738 11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.042 16.952 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.358 17.205 12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.835 18.562 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.801 17.386 10.795 1.00 0.00 H new ATOM 180 N SER A 11 -9.029 13.574 10.518 1.00 0.00 N ATOM 181 CA SER A 11 -7.939 13.546 11.502 1.00 0.00 C ATOM 182 C SER A 11 -6.762 12.728 10.938 1.00 0.00 C ATOM 183 O SER A 11 -5.623 13.195 10.898 1.00 0.00 O ATOM 184 CB SER A 11 -8.450 12.925 12.820 1.00 0.00 C ATOM 185 OG SER A 11 -9.629 13.569 13.279 1.00 0.00 O ATOM 0 H SER A 11 -9.841 13.021 10.792 1.00 0.00 H new ATOM 0 HA SER A 11 -7.596 14.561 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.649 11.864 12.670 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.674 12.999 13.582 1.00 0.00 H new ATOM 0 HG SER A 11 -10.409 13.182 12.830 1.00 0.00 H new ATOM 191 N LEU A 12 -7.087 11.502 10.509 1.00 0.00 N ATOM 192 CA LEU A 12 -6.158 10.501 9.949 1.00 0.00 C ATOM 193 C LEU A 12 -5.219 11.035 8.841 1.00 0.00 C ATOM 194 O LEU A 12 -4.019 10.717 8.817 1.00 0.00 O ATOM 195 CB LEU A 12 -7.030 9.373 9.365 1.00 0.00 C ATOM 196 CG LEU A 12 -6.285 8.143 8.793 1.00 0.00 C ATOM 197 CD1 LEU A 12 -5.655 7.301 9.926 1.00 0.00 C ATOM 198 CD2 LEU A 12 -7.220 7.322 7.887 1.00 0.00 C ATOM 0 H LEU A 12 -8.048 11.161 10.543 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.497 10.174 10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.707 9.028 10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.647 9.796 8.572 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.459 8.486 8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.138 6.443 9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.944 7.913 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.438 6.953 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.681 6.461 7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.078 6.979 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.564 7.944 7.061 1.00 0.00 H new ATOM 210 N ASN A 13 -5.790 11.826 7.915 1.00 0.00 N ATOM 211 CA ASN A 13 -5.068 12.329 6.724 1.00 0.00 C ATOM 212 C ASN A 13 -3.935 13.289 7.103 1.00 0.00 C ATOM 213 O ASN A 13 -2.987 13.445 6.342 1.00 0.00 O ATOM 214 CB ASN A 13 -6.052 12.994 5.712 1.00 0.00 C ATOM 215 CG ASN A 13 -6.779 11.993 4.795 1.00 0.00 C ATOM 216 OD1 ASN A 13 -7.133 10.809 5.295 1.00 0.00 O flip ATOM 217 ND2 ASN A 13 -7.057 12.303 3.636 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.760 12.136 7.967 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.610 11.468 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.794 13.568 6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.499 13.701 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.778 13.214 3.271 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.566 11.649 3.041 1.00 0.00 H new ATOM 224 N ARG A 14 -4.019 13.900 8.297 1.00 0.00 N ATOM 225 CA ARG A 14 -2.965 14.801 8.811 1.00 0.00 C ATOM 226 C ARG A 14 -1.591 14.082 8.818 1.00 0.00 C ATOM 227 O ARG A 14 -0.553 14.690 8.541 1.00 0.00 O ATOM 228 CB ARG A 14 -3.337 15.307 10.233 1.00 0.00 C ATOM 229 CG ARG A 14 -2.527 16.537 10.699 1.00 0.00 C ATOM 230 CD ARG A 14 -2.778 17.778 9.814 1.00 0.00 C ATOM 231 NE ARG A 14 -4.192 18.223 9.860 1.00 0.00 N ATOM 232 CZ ARG A 14 -5.079 18.152 8.841 1.00 0.00 C ATOM 233 NH1 ARG A 14 -4.748 17.618 7.665 1.00 0.00 N ATOM 234 NH2 ARG A 14 -6.307 18.603 9.020 1.00 0.00 N ATOM 0 H ARG A 14 -4.810 13.787 8.930 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.889 15.665 8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.398 15.556 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.187 14.496 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.789 16.771 11.731 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.464 16.295 10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.132 18.592 10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.504 17.549 8.784 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.526 18.618 10.739 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.808 17.251 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.435 17.576 6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.578 19.000 9.920 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.984 18.555 8.259 1.00 0.00 H new ATOM 248 N MET A 15 -1.638 12.767 9.103 1.00 0.00 N ATOM 249 CA MET A 15 -0.465 11.886 9.121 1.00 0.00 C ATOM 250 C MET A 15 -0.194 11.321 7.708 1.00 0.00 C ATOM 251 O MET A 15 0.811 11.644 7.072 1.00 0.00 O ATOM 252 CB MET A 15 -0.691 10.724 10.139 1.00 0.00 C ATOM 253 CG MET A 15 -1.139 11.171 11.543 1.00 0.00 C ATOM 254 SD MET A 15 -2.826 11.822 11.581 1.00 0.00 S ATOM 255 CE MET A 15 -3.002 12.347 13.282 1.00 0.00 C ATOM 0 H MET A 15 -2.507 12.284 9.330 1.00 0.00 H new ATOM 0 HA MET A 15 0.406 12.463 9.432 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.441 10.045 9.733 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.235 10.157 10.232 1.00 0.00 H new ATOM 0 HG2 MET A 15 -1.068 10.325 12.226 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.454 11.935 11.910 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.997 12.766 13.432 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.864 11.491 13.943 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.252 13.105 13.508 1.00 0.00 H new ATOM 265 N GLN A 16 -1.168 10.531 7.207 1.00 0.00 N ATOM 266 CA GLN A 16 -1.012 9.698 5.990 1.00 0.00 C ATOM 267 C GLN A 16 -0.882 10.523 4.701 1.00 0.00 C ATOM 268 O GLN A 16 -0.006 10.252 3.879 1.00 0.00 O ATOM 269 CB GLN A 16 -2.195 8.710 5.857 1.00 0.00 C ATOM 270 CG GLN A 16 -2.288 7.690 7.005 1.00 0.00 C ATOM 271 CD GLN A 16 -3.326 6.589 6.773 1.00 0.00 C ATOM 272 OE1 GLN A 16 -3.764 5.954 7.829 1.00 0.00 O flip ATOM 273 NE2 GLN A 16 -3.670 6.259 5.642 1.00 0.00 N flip ATOM 0 H GLN A 16 -2.090 10.451 7.636 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.078 9.150 6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.125 9.276 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.102 8.173 4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.311 7.230 7.149 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.532 8.217 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.316 6.768 4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.310 5.475 5.512 1.00 0.00 H new ATOM 282 N TYR A 17 -1.791 11.505 4.538 1.00 0.00 N ATOM 283 CA TYR A 17 -1.811 12.392 3.347 1.00 0.00 C ATOM 284 C TYR A 17 -0.483 13.183 3.260 1.00 0.00 C ATOM 285 O TYR A 17 0.127 13.237 2.200 1.00 0.00 O ATOM 286 CB TYR A 17 -3.046 13.336 3.356 1.00 0.00 C ATOM 287 CG TYR A 17 -3.172 14.255 2.130 1.00 0.00 C ATOM 288 CD1 TYR A 17 -3.614 13.759 0.899 1.00 0.00 C ATOM 289 CD2 TYR A 17 -2.871 15.620 2.214 1.00 0.00 C ATOM 290 CE1 TYR A 17 -3.746 14.590 -0.196 1.00 0.00 C ATOM 291 CE2 TYR A 17 -2.997 16.446 1.123 1.00 0.00 C ATOM 292 CZ TYR A 17 -3.438 15.932 -0.079 1.00 0.00 C ATOM 293 OH TYR A 17 -3.575 16.763 -1.168 1.00 0.00 O ATOM 0 H TYR A 17 -2.525 11.708 5.216 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.902 11.773 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.948 12.728 3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.004 13.955 4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.856 12.711 0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.533 16.031 3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.089 14.193 -1.140 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.752 17.494 1.206 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.319 17.675 -0.918 1.00 0.00 H new ATOM 303 N GLU A 18 -0.021 13.740 4.402 1.00 0.00 N ATOM 304 CA GLU A 18 1.273 14.481 4.470 1.00 0.00 C ATOM 305 C GLU A 18 2.472 13.556 4.093 1.00 0.00 C ATOM 306 O GLU A 18 3.427 14.000 3.434 1.00 0.00 O ATOM 307 CB GLU A 18 1.471 15.125 5.879 1.00 0.00 C ATOM 308 CG GLU A 18 2.806 15.884 6.055 1.00 0.00 C ATOM 309 CD GLU A 18 2.897 16.682 7.368 1.00 0.00 C ATOM 310 OE1 GLU A 18 3.191 16.087 8.422 1.00 0.00 O ATOM 311 OE2 GLU A 18 2.676 17.914 7.356 1.00 0.00 O ATOM 0 H GLU A 18 -0.519 13.694 5.291 1.00 0.00 H new ATOM 0 HA GLU A 18 1.239 15.287 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.648 15.814 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.411 14.341 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.628 15.169 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.939 16.567 5.216 1.00 0.00 H new ATOM 318 N VAL A 19 2.365 12.263 4.467 1.00 0.00 N ATOM 319 CA VAL A 19 3.401 11.244 4.182 1.00 0.00 C ATOM 320 C VAL A 19 3.492 11.010 2.664 1.00 0.00 C ATOM 321 O VAL A 19 4.542 11.236 2.078 1.00 0.00 O ATOM 322 CB VAL A 19 3.157 9.886 4.975 1.00 0.00 C ATOM 323 CG1 VAL A 19 3.895 8.678 4.338 1.00 0.00 C ATOM 324 CG2 VAL A 19 3.596 10.047 6.446 1.00 0.00 C ATOM 0 H VAL A 19 1.560 11.896 4.974 1.00 0.00 H new ATOM 0 HA VAL A 19 4.357 11.626 4.538 1.00 0.00 H new ATOM 0 HB VAL A 19 2.089 9.676 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.692 7.779 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.544 8.535 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.968 8.870 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.425 9.113 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.656 10.298 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.017 10.844 6.913 1.00 0.00 H new ATOM 334 N THR A 20 2.368 10.614 2.044 1.00 0.00 N ATOM 335 CA THR A 20 2.317 10.282 0.600 1.00 0.00 C ATOM 336 C THR A 20 2.591 11.502 -0.312 1.00 0.00 C ATOM 337 O THR A 20 2.990 11.328 -1.470 1.00 0.00 O ATOM 338 CB THR A 20 0.957 9.610 0.208 1.00 0.00 C ATOM 339 OG1 THR A 20 1.020 9.105 -1.142 1.00 0.00 O ATOM 340 CG2 THR A 20 -0.243 10.565 0.336 1.00 0.00 C ATOM 0 H THR A 20 1.472 10.514 2.521 1.00 0.00 H new ATOM 0 HA THR A 20 3.122 9.566 0.435 1.00 0.00 H new ATOM 0 HB THR A 20 0.803 8.792 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.635 9.764 -1.756 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.156 10.042 0.051 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.328 10.907 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.097 11.423 -0.320 1.00 0.00 H new ATOM 348 N GLN A 21 2.404 12.730 0.217 1.00 0.00 N ATOM 349 CA GLN A 21 2.679 13.972 -0.555 1.00 0.00 C ATOM 350 C GLN A 21 4.188 14.276 -0.592 1.00 0.00 C ATOM 351 O GLN A 21 4.668 15.001 -1.472 1.00 0.00 O ATOM 352 CB GLN A 21 1.881 15.178 0.000 1.00 0.00 C ATOM 353 CG GLN A 21 0.353 15.090 -0.213 1.00 0.00 C ATOM 354 CD GLN A 21 -0.057 14.958 -1.678 1.00 0.00 C ATOM 355 OE1 GLN A 21 -0.192 13.851 -2.201 1.00 0.00 O ATOM 356 NE2 GLN A 21 -0.254 16.078 -2.352 1.00 0.00 N ATOM 0 H GLN A 21 2.067 12.893 1.166 1.00 0.00 H new ATOM 0 HA GLN A 21 2.343 13.802 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.081 15.269 1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.249 16.089 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.033 14.235 0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.115 15.980 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.134 16.979 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.526 16.041 -3.334 1.00 0.00 H new ATOM 365 N ASN A 22 4.910 13.725 0.386 1.00 0.00 N ATOM 366 CA ASN A 22 6.382 13.743 0.427 1.00 0.00 C ATOM 367 C ASN A 22 6.934 12.417 -0.146 1.00 0.00 C ATOM 368 O ASN A 22 8.089 12.356 -0.581 1.00 0.00 O ATOM 369 CB ASN A 22 6.860 13.934 1.900 1.00 0.00 C ATOM 370 CG ASN A 22 8.361 14.233 2.017 1.00 0.00 C ATOM 371 OD1 ASN A 22 8.772 15.393 2.027 1.00 0.00 O ATOM 372 ND2 ASN A 22 9.184 13.197 2.102 1.00 0.00 N ATOM 0 H ASN A 22 4.489 13.247 1.183 1.00 0.00 H new ATOM 0 HA ASN A 22 6.754 14.570 -0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.298 14.750 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.631 13.033 2.469 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.190 13.349 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.812 12.248 2.091 1.00 0.00 H new ATOM 379 N ASN A 23 6.068 11.372 -0.155 1.00 0.00 N ATOM 380 CA ASN A 23 6.459 9.953 -0.347 1.00 0.00 C ATOM 381 C ASN A 23 7.471 9.526 0.732 1.00 0.00 C ATOM 382 O ASN A 23 8.361 8.708 0.491 1.00 0.00 O ATOM 383 CB ASN A 23 6.968 9.683 -1.800 1.00 0.00 C ATOM 384 CG ASN A 23 5.828 9.427 -2.785 1.00 0.00 C ATOM 385 OD1 ASN A 23 5.451 8.278 -3.023 1.00 0.00 O ATOM 386 ND2 ASN A 23 5.261 10.486 -3.332 1.00 0.00 N ATOM 0 H ASN A 23 5.063 11.494 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 23 5.573 9.330 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.552 10.538 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.637 8.822 -1.793 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.480 10.370 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.603 11.420 -3.108 1.00 0.00 H new ATOM 393 N GLY A 24 7.263 10.076 1.944 1.00 0.00 N ATOM 394 CA GLY A 24 8.150 9.867 3.080 1.00 0.00 C ATOM 395 C GLY A 24 7.873 8.576 3.828 1.00 0.00 C ATOM 396 O GLY A 24 6.886 7.885 3.557 1.00 0.00 O ATOM 0 H GLY A 24 6.467 10.679 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.182 9.862 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.051 10.706 3.769 1.00 0.00 H new ATOM 400 N THR A 25 8.748 8.269 4.791 1.00 0.00 N ATOM 401 CA THR A 25 8.642 7.065 5.621 1.00 0.00 C ATOM 402 C THR A 25 8.313 7.472 7.068 1.00 0.00 C ATOM 403 O THR A 25 8.957 8.354 7.652 1.00 0.00 O ATOM 404 CB THR A 25 9.937 6.171 5.550 1.00 0.00 C ATOM 405 OG1 THR A 25 9.799 5.005 6.382 1.00 0.00 O ATOM 406 CG2 THR A 25 11.213 6.928 5.941 1.00 0.00 C ATOM 0 H THR A 25 9.554 8.852 5.018 1.00 0.00 H new ATOM 0 HA THR A 25 7.833 6.449 5.229 1.00 0.00 H new ATOM 0 HB THR A 25 10.040 5.873 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.613 4.462 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.070 6.257 5.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.357 7.771 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.120 7.294 6.964 1.00 0.00 H new ATOM 414 N GLU A 26 7.270 6.857 7.611 1.00 0.00 N ATOM 415 CA GLU A 26 6.871 6.972 9.022 1.00 0.00 C ATOM 416 C GLU A 26 6.862 5.540 9.595 1.00 0.00 C ATOM 417 O GLU A 26 6.445 4.625 8.872 1.00 0.00 O ATOM 418 CB GLU A 26 5.455 7.612 9.112 1.00 0.00 C ATOM 419 CG GLU A 26 4.875 7.746 10.533 1.00 0.00 C ATOM 420 CD GLU A 26 3.416 8.241 10.546 1.00 0.00 C ATOM 421 OE1 GLU A 26 3.193 9.454 10.341 1.00 0.00 O ATOM 422 OE2 GLU A 26 2.493 7.430 10.767 1.00 0.00 O ATOM 0 H GLU A 26 6.656 6.245 7.073 1.00 0.00 H new ATOM 0 HA GLU A 26 7.556 7.605 9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.494 8.603 8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.767 7.015 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.929 6.779 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.492 8.437 11.107 1.00 0.00 H new ATOM 429 N PRO A 27 7.340 5.300 10.868 1.00 0.00 N ATOM 430 CA PRO A 27 7.289 3.954 11.498 1.00 0.00 C ATOM 431 C PRO A 27 5.851 3.359 11.459 1.00 0.00 C ATOM 432 O PRO A 27 4.896 4.063 11.803 1.00 0.00 O ATOM 433 CB PRO A 27 7.769 4.210 12.963 1.00 0.00 C ATOM 434 CG PRO A 27 7.692 5.698 13.147 1.00 0.00 C ATOM 435 CD PRO A 27 7.960 6.294 11.787 1.00 0.00 C ATOM 0 HA PRO A 27 7.909 3.223 10.978 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.135 3.691 13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.785 3.846 13.114 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.711 5.996 13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.427 6.041 13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.509 7.281 11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.027 6.410 11.598 1.00 0.00 H new ATOM 443 N PRO A 28 5.667 2.075 10.991 1.00 0.00 N ATOM 444 CA PRO A 28 4.351 1.400 10.966 1.00 0.00 C ATOM 445 C PRO A 28 3.937 0.910 12.374 1.00 0.00 C ATOM 446 O PRO A 28 3.658 -0.282 12.579 1.00 0.00 O ATOM 447 CB PRO A 28 4.545 0.213 9.959 1.00 0.00 C ATOM 448 CG PRO A 28 5.961 0.326 9.451 1.00 0.00 C ATOM 449 CD PRO A 28 6.716 1.195 10.434 1.00 0.00 C ATOM 0 HA PRO A 28 3.545 2.067 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.382 -0.746 10.450 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.830 0.276 9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.422 -0.658 9.373 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.979 0.766 8.454 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.195 0.599 11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.502 1.768 9.942 1.00 0.00 H new ATOM 457 N PHE A 29 3.826 1.872 13.327 1.00 0.00 N ATOM 458 CA PHE A 29 3.427 1.625 14.745 1.00 0.00 C ATOM 459 C PHE A 29 1.988 1.068 14.857 1.00 0.00 C ATOM 460 O PHE A 29 1.511 0.760 15.951 1.00 0.00 O ATOM 461 CB PHE A 29 3.577 2.928 15.582 1.00 0.00 C ATOM 462 CG PHE A 29 2.661 4.081 15.151 1.00 0.00 C ATOM 463 CD1 PHE A 29 1.381 4.229 15.694 1.00 0.00 C ATOM 464 CD2 PHE A 29 3.077 5.006 14.197 1.00 0.00 C ATOM 465 CE1 PHE A 29 0.556 5.258 15.299 1.00 0.00 C ATOM 466 CE2 PHE A 29 2.249 6.035 13.803 1.00 0.00 C ATOM 467 CZ PHE A 29 0.988 6.158 14.350 1.00 0.00 C ATOM 0 H PHE A 29 4.013 2.856 13.133 1.00 0.00 H new ATOM 0 HA PHE A 29 4.097 0.865 15.146 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.377 2.696 16.628 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.612 3.264 15.522 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.034 3.525 16.435 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.061 4.916 13.760 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.428 5.359 15.732 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.588 6.747 13.065 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.339 6.961 14.034 1.00 0.00 H new ATOM 477 N GLN A 30 1.323 0.989 13.698 1.00 0.00 N ATOM 478 CA GLN A 30 0.045 0.281 13.473 1.00 0.00 C ATOM 479 C GLN A 30 0.085 -1.162 14.055 1.00 0.00 C ATOM 480 O GLN A 30 -0.950 -1.740 14.382 1.00 0.00 O ATOM 481 CB GLN A 30 -0.229 0.215 11.934 1.00 0.00 C ATOM 482 CG GLN A 30 -0.029 1.545 11.150 1.00 0.00 C ATOM 483 CD GLN A 30 -1.116 2.611 11.376 1.00 0.00 C ATOM 484 OE1 GLN A 30 -1.742 2.680 12.434 1.00 0.00 O ATOM 485 NE2 GLN A 30 -1.318 3.484 10.389 1.00 0.00 N ATOM 0 H GLN A 30 1.672 1.435 12.850 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.750 0.826 13.982 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.425 -0.542 11.500 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.254 -0.124 11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.936 1.969 11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.017 1.317 10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.787 3.405 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.004 4.231 10.501 1.00 0.00 H new ATOM 494 N ASN A 31 1.308 -1.725 14.156 1.00 0.00 N ATOM 495 CA ASN A 31 1.583 -3.024 14.792 1.00 0.00 C ATOM 496 C ASN A 31 2.763 -2.864 15.784 1.00 0.00 C ATOM 497 O ASN A 31 3.520 -1.889 15.701 1.00 0.00 O ATOM 498 CB ASN A 31 1.894 -4.070 13.694 1.00 0.00 C ATOM 499 CG ASN A 31 2.189 -5.466 14.235 1.00 0.00 C ATOM 500 OD1 ASN A 31 3.333 -5.799 14.491 1.00 0.00 O ATOM 501 ND2 ASN A 31 1.169 -6.269 14.438 1.00 0.00 N ATOM 0 H ASN A 31 2.147 -1.277 13.789 1.00 0.00 H new ATOM 0 HA ASN A 31 0.715 -3.371 15.353 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.047 -4.128 13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.750 -3.728 13.112 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.323 -7.202 14.821 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.224 -5.959 14.213 1.00 0.00 H new ATOM 508 N GLU A 32 2.898 -3.828 16.714 1.00 0.00 N ATOM 509 CA GLU A 32 3.944 -3.829 17.760 1.00 0.00 C ATOM 510 C GLU A 32 5.303 -4.285 17.189 1.00 0.00 C ATOM 511 O GLU A 32 6.314 -3.607 17.367 1.00 0.00 O ATOM 512 CB GLU A 32 3.537 -4.746 18.964 1.00 0.00 C ATOM 513 CG GLU A 32 2.306 -4.269 19.782 1.00 0.00 C ATOM 514 CD GLU A 32 0.966 -4.384 19.031 1.00 0.00 C ATOM 515 OE1 GLU A 32 0.392 -5.492 18.984 1.00 0.00 O ATOM 516 OE2 GLU A 32 0.486 -3.376 18.470 1.00 0.00 O ATOM 0 H GLU A 32 2.279 -4.637 16.763 1.00 0.00 H new ATOM 0 HA GLU A 32 4.044 -2.805 18.120 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.332 -5.747 18.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.389 -4.830 19.638 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.246 -4.853 20.701 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.458 -3.230 20.074 1.00 0.00 H new ATOM 523 N TYR A 33 5.316 -5.447 16.512 1.00 0.00 N ATOM 524 CA TYR A 33 6.571 -6.090 16.027 1.00 0.00 C ATOM 525 C TYR A 33 7.041 -5.539 14.675 1.00 0.00 C ATOM 526 O TYR A 33 8.223 -5.653 14.352 1.00 0.00 O ATOM 527 CB TYR A 33 6.400 -7.628 15.974 1.00 0.00 C ATOM 528 CG TYR A 33 6.251 -8.252 17.367 1.00 0.00 C ATOM 529 CD1 TYR A 33 7.378 -8.521 18.149 1.00 0.00 C ATOM 530 CD2 TYR A 33 4.996 -8.547 17.906 1.00 0.00 C ATOM 531 CE1 TYR A 33 7.260 -9.064 19.412 1.00 0.00 C ATOM 532 CE2 TYR A 33 4.874 -9.087 19.171 1.00 0.00 C ATOM 533 CZ TYR A 33 6.009 -9.343 19.920 1.00 0.00 C ATOM 534 OH TYR A 33 5.885 -9.880 21.181 1.00 0.00 O ATOM 0 H TYR A 33 4.471 -5.970 16.283 1.00 0.00 H new ATOM 0 HA TYR A 33 7.355 -5.844 16.744 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.523 -7.872 15.375 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.262 -8.069 15.472 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.360 -8.300 17.757 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.108 -8.350 17.324 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.143 -9.269 19.999 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.897 -9.309 19.574 1.00 0.00 H new ATOM 0 HH TYR A 33 4.937 -10.015 21.387 1.00 0.00 H new ATOM 544 N TRP A 34 6.099 -4.963 13.896 1.00 0.00 N ATOM 545 CA TRP A 34 6.363 -4.244 12.612 1.00 0.00 C ATOM 546 C TRP A 34 6.714 -5.179 11.414 1.00 0.00 C ATOM 547 O TRP A 34 6.513 -4.783 10.257 1.00 0.00 O ATOM 548 CB TRP A 34 7.465 -3.152 12.770 1.00 0.00 C ATOM 549 CG TRP A 34 7.219 -2.162 13.891 1.00 0.00 C ATOM 550 CD1 TRP A 34 6.180 -1.298 13.996 1.00 0.00 C ATOM 551 CD2 TRP A 34 8.039 -1.938 15.053 1.00 0.00 C ATOM 552 NE1 TRP A 34 6.291 -0.549 15.139 1.00 0.00 N ATOM 553 CE2 TRP A 34 7.418 -0.933 15.811 1.00 0.00 C ATOM 554 CE3 TRP A 34 9.225 -2.510 15.527 1.00 0.00 C ATOM 555 CZ2 TRP A 34 7.949 -0.470 17.010 1.00 0.00 C ATOM 556 CZ3 TRP A 34 9.755 -2.051 16.715 1.00 0.00 C ATOM 557 CH2 TRP A 34 9.110 -1.046 17.453 1.00 0.00 C ATOM 0 H TRP A 34 5.109 -4.981 14.141 1.00 0.00 H new ATOM 0 HA TRP A 34 5.414 -3.766 12.371 1.00 0.00 H new ATOM 0 HB2 TRP A 34 8.423 -3.644 12.941 1.00 0.00 H new ATOM 0 HB3 TRP A 34 7.551 -2.604 11.832 1.00 0.00 H new ATOM 0 HD1 TRP A 34 5.377 -1.212 13.279 1.00 0.00 H new ATOM 0 HE1 TRP A 34 5.639 0.176 15.439 1.00 0.00 H new ATOM 0 HE3 TRP A 34 9.716 -3.296 14.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.464 0.315 17.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 10.680 -2.471 17.083 1.00 0.00 H new ATOM 0 HH2 TRP A 34 9.538 -0.720 18.389 1.00 0.00 H new ATOM 568 N ASP A 35 7.229 -6.395 11.692 1.00 0.00 N ATOM 569 CA ASP A 35 7.686 -7.348 10.653 1.00 0.00 C ATOM 570 C ASP A 35 6.506 -7.826 9.788 1.00 0.00 C ATOM 571 O ASP A 35 6.556 -7.753 8.554 1.00 0.00 O ATOM 572 CB ASP A 35 8.369 -8.579 11.305 1.00 0.00 C ATOM 573 CG ASP A 35 9.542 -8.239 12.236 1.00 0.00 C ATOM 574 OD1 ASP A 35 10.675 -8.038 11.742 1.00 0.00 O ATOM 575 OD2 ASP A 35 9.342 -8.192 13.468 1.00 0.00 O ATOM 0 H ASP A 35 7.341 -6.746 12.643 1.00 0.00 H new ATOM 0 HA ASP A 35 8.404 -6.826 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.622 -9.135 11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.728 -9.240 10.516 1.00 0.00 H new ATOM 580 N HIS A 36 5.461 -8.302 10.488 1.00 0.00 N ATOM 581 CA HIS A 36 4.205 -8.822 9.916 1.00 0.00 C ATOM 582 C HIS A 36 4.388 -10.204 9.256 1.00 0.00 C ATOM 583 O HIS A 36 4.618 -10.321 8.048 1.00 0.00 O ATOM 584 CB HIS A 36 3.512 -7.816 8.967 1.00 0.00 C ATOM 585 CG HIS A 36 3.018 -6.562 9.650 1.00 0.00 C ATOM 586 ND1 HIS A 36 3.745 -5.392 9.669 1.00 0.00 N ATOM 587 CD2 HIS A 36 1.848 -6.277 10.270 1.00 0.00 C ATOM 588 CE1 HIS A 36 3.050 -4.445 10.260 1.00 0.00 C ATOM 589 NE2 HIS A 36 1.890 -4.952 10.636 1.00 0.00 N ATOM 0 H HIS A 36 5.468 -8.337 11.507 1.00 0.00 H new ATOM 0 HA HIS A 36 3.530 -8.960 10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.211 -7.536 8.179 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.669 -8.310 8.484 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.682 -5.277 9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.033 -6.963 10.445 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.373 -3.426 10.412 1.00 0.00 H new ATOM 598 N LYS A 37 4.295 -11.243 10.104 1.00 0.00 N ATOM 599 CA LYS A 37 4.307 -12.666 9.693 1.00 0.00 C ATOM 600 C LYS A 37 2.938 -13.316 9.970 1.00 0.00 C ATOM 601 O LYS A 37 2.741 -14.518 9.723 1.00 0.00 O ATOM 602 CB LYS A 37 5.421 -13.432 10.451 1.00 0.00 C ATOM 603 CG LYS A 37 5.305 -13.387 11.992 1.00 0.00 C ATOM 604 CD LYS A 37 6.460 -14.121 12.722 1.00 0.00 C ATOM 605 CE LYS A 37 7.855 -13.614 12.309 1.00 0.00 C ATOM 606 NZ LYS A 37 7.978 -12.135 12.415 1.00 0.00 N ATOM 0 H LYS A 37 4.208 -11.120 11.113 1.00 0.00 H new ATOM 0 HA LYS A 37 4.508 -12.716 8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.409 -14.474 10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.388 -13.020 10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.284 -12.347 12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.356 -13.833 12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.339 -13.997 13.798 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.392 -15.189 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.610 -14.084 12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.060 -13.920 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.965 -11.855 12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.361 -11.684 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.694 -11.830 13.368 1.00 0.00 H new ATOM 620 N GLU A 38 1.998 -12.503 10.470 1.00 0.00 N ATOM 621 CA GLU A 38 0.634 -12.931 10.807 1.00 0.00 C ATOM 622 C GLU A 38 -0.289 -12.800 9.587 1.00 0.00 C ATOM 623 O GLU A 38 0.109 -12.287 8.529 1.00 0.00 O ATOM 624 CB GLU A 38 0.066 -12.097 12.008 1.00 0.00 C ATOM 625 CG GLU A 38 0.019 -10.543 11.799 1.00 0.00 C ATOM 626 CD GLU A 38 1.250 -9.775 12.338 1.00 0.00 C ATOM 627 OE1 GLU A 38 2.377 -10.304 12.282 1.00 0.00 O ATOM 628 OE2 GLU A 38 1.096 -8.628 12.807 1.00 0.00 O ATOM 0 H GLU A 38 2.167 -11.514 10.655 1.00 0.00 H new ATOM 0 HA GLU A 38 0.674 -13.979 11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.944 -12.446 12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.671 -12.308 12.890 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.081 -10.337 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.876 -10.153 12.284 1.00 0.00 H new ATOM 635 N GLU A 39 -1.528 -13.286 9.753 1.00 0.00 N ATOM 636 CA GLU A 39 -2.587 -13.122 8.758 1.00 0.00 C ATOM 637 C GLU A 39 -2.954 -11.635 8.668 1.00 0.00 C ATOM 638 O GLU A 39 -3.115 -10.960 9.704 1.00 0.00 O ATOM 639 CB GLU A 39 -3.830 -13.973 9.142 1.00 0.00 C ATOM 640 CG GLU A 39 -4.419 -13.658 10.530 1.00 0.00 C ATOM 641 CD GLU A 39 -5.634 -14.519 10.880 1.00 0.00 C ATOM 642 OE1 GLU A 39 -5.443 -15.608 11.448 1.00 0.00 O ATOM 643 OE2 GLU A 39 -6.785 -14.115 10.583 1.00 0.00 O ATOM 0 H GLU A 39 -1.820 -13.803 10.582 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.235 -13.468 7.786 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.604 -13.821 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.556 -15.028 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.648 -13.805 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.705 -12.607 10.566 1.00 0.00 H new ATOM 650 N GLY A 40 -3.004 -11.111 7.446 1.00 0.00 N ATOM 651 CA GLY A 40 -3.462 -9.758 7.238 1.00 0.00 C ATOM 652 C GLY A 40 -3.450 -9.342 5.788 1.00 0.00 C ATOM 653 O GLY A 40 -2.725 -9.914 4.968 1.00 0.00 O ATOM 0 H GLY A 40 -2.733 -11.606 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.475 -9.660 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.832 -9.076 7.810 1.00 0.00 H new ATOM 657 N LEU A 41 -4.320 -8.382 5.469 1.00 0.00 N ATOM 658 CA LEU A 41 -4.239 -7.586 4.249 1.00 0.00 C ATOM 659 C LEU A 41 -3.750 -6.198 4.606 1.00 0.00 C ATOM 660 O LEU A 41 -4.225 -5.583 5.558 1.00 0.00 O ATOM 661 CB LEU A 41 -5.603 -7.474 3.534 1.00 0.00 C ATOM 662 CG LEU A 41 -6.071 -8.733 2.756 1.00 0.00 C ATOM 663 CD1 LEU A 41 -7.381 -8.434 2.038 1.00 0.00 C ATOM 664 CD2 LEU A 41 -5.011 -9.217 1.748 1.00 0.00 C ATOM 0 H LEU A 41 -5.112 -8.134 6.062 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.549 -8.083 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.361 -7.229 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.557 -6.637 2.837 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.221 -9.535 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.707 -9.320 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.141 -8.157 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.233 -7.611 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.381 -10.100 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.809 -8.427 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.092 -9.467 2.278 1.00 0.00 H new ATOM 676 N TYR A 42 -2.821 -5.719 3.802 1.00 0.00 N ATOM 677 CA TYR A 42 -2.319 -4.358 3.867 1.00 0.00 C ATOM 678 C TYR A 42 -3.251 -3.491 3.041 1.00 0.00 C ATOM 679 O TYR A 42 -3.334 -3.633 1.810 1.00 0.00 O ATOM 680 CB TYR A 42 -0.882 -4.266 3.329 1.00 0.00 C ATOM 681 CG TYR A 42 0.221 -4.578 4.348 1.00 0.00 C ATOM 682 CD1 TYR A 42 0.677 -5.881 4.568 1.00 0.00 C ATOM 683 CD2 TYR A 42 0.856 -3.539 5.040 1.00 0.00 C ATOM 684 CE1 TYR A 42 1.716 -6.126 5.442 1.00 0.00 C ATOM 685 CE2 TYR A 42 1.900 -3.784 5.894 1.00 0.00 C ATOM 686 CZ TYR A 42 2.326 -5.074 6.091 1.00 0.00 C ATOM 687 OH TYR A 42 3.384 -5.311 6.926 1.00 0.00 O ATOM 0 H TYR A 42 -2.384 -6.277 3.069 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.291 -4.020 4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.782 -4.953 2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.721 -3.260 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.211 -6.705 4.048 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.516 -2.524 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.050 -7.138 5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.384 -2.967 6.409 1.00 0.00 H new ATOM 0 HH TYR A 42 3.207 -4.907 7.801 1.00 0.00 H new ATOM 697 N VAL A 43 -3.973 -2.629 3.735 1.00 0.00 N ATOM 698 CA VAL A 43 -4.926 -1.712 3.144 1.00 0.00 C ATOM 699 C VAL A 43 -4.612 -0.310 3.681 1.00 0.00 C ATOM 700 O VAL A 43 -4.186 -0.168 4.839 1.00 0.00 O ATOM 701 CB VAL A 43 -6.423 -2.132 3.480 1.00 0.00 C ATOM 702 CG1 VAL A 43 -6.702 -3.613 3.090 1.00 0.00 C ATOM 703 CG2 VAL A 43 -6.776 -1.861 4.963 1.00 0.00 C ATOM 0 H VAL A 43 -3.910 -2.547 4.750 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.838 -1.731 2.058 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.076 -1.505 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.734 -3.865 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.539 -3.744 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.028 -4.268 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.807 -2.161 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.107 -2.433 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.663 -0.798 5.176 1.00 0.00 H new ATOM 713 N ASP A 44 -4.791 0.714 2.853 1.00 0.00 N ATOM 714 CA ASP A 44 -4.656 2.105 3.296 1.00 0.00 C ATOM 715 C ASP A 44 -5.892 2.453 4.130 1.00 0.00 C ATOM 716 O ASP A 44 -6.997 2.168 3.712 1.00 0.00 O ATOM 717 CB ASP A 44 -4.512 3.059 2.088 1.00 0.00 C ATOM 718 CG ASP A 44 -5.618 2.867 1.041 1.00 0.00 C ATOM 719 OD1 ASP A 44 -6.692 3.496 1.152 1.00 0.00 O ATOM 720 OD2 ASP A 44 -5.413 2.089 0.098 1.00 0.00 O ATOM 0 H ASP A 44 -5.031 0.610 1.867 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.755 2.222 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.528 4.090 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.542 2.898 1.618 1.00 0.00 H new ATOM 725 N ILE A 45 -5.696 2.967 5.343 1.00 0.00 N ATOM 726 CA ILE A 45 -6.826 3.385 6.209 1.00 0.00 C ATOM 727 C ILE A 45 -7.611 4.575 5.573 1.00 0.00 C ATOM 728 O ILE A 45 -8.824 4.692 5.794 1.00 0.00 O ATOM 729 CB ILE A 45 -6.366 3.751 7.677 1.00 0.00 C ATOM 730 CG1 ILE A 45 -5.259 2.778 8.186 1.00 0.00 C ATOM 731 CG2 ILE A 45 -7.577 3.780 8.660 1.00 0.00 C ATOM 732 CD1 ILE A 45 -4.649 3.143 9.534 1.00 0.00 C ATOM 0 H ILE A 45 -4.775 3.108 5.758 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.490 2.524 6.285 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.938 4.753 7.643 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.682 1.776 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.463 2.738 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.227 4.035 9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.298 4.526 8.327 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.053 2.799 8.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.890 2.407 9.801 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.191 4.130 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.429 3.153 10.296 1.00 0.00 H new ATOM 744 N VAL A 46 -6.903 5.439 4.782 1.00 0.00 N ATOM 745 CA VAL A 46 -7.522 6.616 4.085 1.00 0.00 C ATOM 746 C VAL A 46 -8.774 6.270 3.238 1.00 0.00 C ATOM 747 O VAL A 46 -9.712 7.079 3.171 1.00 0.00 O ATOM 748 CB VAL A 46 -6.500 7.428 3.180 1.00 0.00 C ATOM 749 CG1 VAL A 46 -5.494 8.218 4.036 1.00 0.00 C ATOM 750 CG2 VAL A 46 -5.771 6.521 2.154 1.00 0.00 C ATOM 0 H VAL A 46 -5.902 5.343 4.610 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.838 7.248 4.915 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.090 8.144 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.810 8.762 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.031 8.925 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.928 7.528 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.084 7.123 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.212 5.749 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.504 6.053 1.497 1.00 0.00 H new ATOM 760 N SER A 47 -8.792 5.097 2.584 1.00 0.00 N ATOM 761 CA SER A 47 -9.922 4.694 1.706 1.00 0.00 C ATOM 762 C SER A 47 -10.239 3.183 1.840 1.00 0.00 C ATOM 763 O SER A 47 -11.164 2.680 1.186 1.00 0.00 O ATOM 764 CB SER A 47 -9.594 5.093 0.243 1.00 0.00 C ATOM 765 OG SER A 47 -10.706 4.934 -0.632 1.00 0.00 O ATOM 0 H SER A 47 -8.043 4.407 2.641 1.00 0.00 H new ATOM 0 HA SER A 47 -10.824 5.220 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.264 6.131 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.763 4.486 -0.117 1.00 0.00 H new ATOM 0 HG SER A 47 -11.252 4.177 -0.333 1.00 0.00 H new ATOM 771 N GLY A 48 -9.486 2.480 2.704 1.00 0.00 N ATOM 772 CA GLY A 48 -9.719 1.053 3.013 1.00 0.00 C ATOM 773 C GLY A 48 -9.556 0.117 1.813 1.00 0.00 C ATOM 774 O GLY A 48 -10.289 -0.865 1.701 1.00 0.00 O ATOM 0 H GLY A 48 -8.697 2.883 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.027 0.745 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -10.726 0.939 3.414 1.00 0.00 H new ATOM 778 N LYS A 49 -8.589 0.420 0.928 1.00 0.00 N ATOM 779 CA LYS A 49 -8.420 -0.297 -0.364 1.00 0.00 C ATOM 780 C LYS A 49 -7.453 -1.484 -0.208 1.00 0.00 C ATOM 781 O LYS A 49 -6.421 -1.322 0.427 1.00 0.00 O ATOM 782 CB LYS A 49 -7.860 0.672 -1.437 1.00 0.00 C ATOM 783 CG LYS A 49 -8.564 2.035 -1.501 1.00 0.00 C ATOM 784 CD LYS A 49 -10.027 1.952 -1.969 1.00 0.00 C ATOM 785 CE LYS A 49 -10.154 1.464 -3.406 1.00 0.00 C ATOM 786 NZ LYS A 49 -9.330 2.279 -4.336 1.00 0.00 N ATOM 0 H LYS A 49 -7.905 1.161 1.079 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.396 -0.671 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.800 0.835 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.935 0.194 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.533 2.497 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.012 2.688 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.578 1.280 -1.311 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.490 2.935 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.845 0.420 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.199 1.505 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.428 1.908 -5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.653 3.267 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.332 2.233 -4.047 1.00 0.00 H new ATOM 800 N PRO A 50 -7.736 -2.683 -0.814 1.00 0.00 N ATOM 801 CA PRO A 50 -6.813 -3.835 -0.746 1.00 0.00 C ATOM 802 C PRO A 50 -5.608 -3.621 -1.691 1.00 0.00 C ATOM 803 O PRO A 50 -5.771 -3.461 -2.907 1.00 0.00 O ATOM 804 CB PRO A 50 -7.707 -5.020 -1.181 1.00 0.00 C ATOM 805 CG PRO A 50 -8.707 -4.410 -2.128 1.00 0.00 C ATOM 806 CD PRO A 50 -8.943 -2.990 -1.630 1.00 0.00 C ATOM 0 HA PRO A 50 -6.370 -3.994 0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.123 -5.800 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.200 -5.480 -0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.326 -4.407 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.636 -4.980 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.052 -2.290 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.854 -2.923 -1.035 1.00 0.00 H new ATOM 814 N LEU A 51 -4.389 -3.603 -1.113 1.00 0.00 N ATOM 815 CA LEU A 51 -3.154 -3.235 -1.853 1.00 0.00 C ATOM 816 C LEU A 51 -2.199 -4.421 -1.999 1.00 0.00 C ATOM 817 O LEU A 51 -1.567 -4.584 -3.046 1.00 0.00 O ATOM 818 CB LEU A 51 -2.457 -2.051 -1.141 1.00 0.00 C ATOM 819 CG LEU A 51 -3.381 -0.835 -0.835 1.00 0.00 C ATOM 820 CD1 LEU A 51 -2.599 0.292 -0.148 1.00 0.00 C ATOM 821 CD2 LEU A 51 -4.137 -0.353 -2.104 1.00 0.00 C ATOM 0 H LEU A 51 -4.229 -3.839 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.439 -2.934 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.030 -2.409 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.627 -1.711 -1.760 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.147 -1.163 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.268 1.128 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.182 -0.074 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.791 0.624 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.771 0.496 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.416 -0.053 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.755 -1.164 -2.490 1.00 0.00 H new ATOM 833 N PHE A 52 -2.093 -5.232 -0.931 1.00 0.00 N ATOM 834 CA PHE A 52 -1.271 -6.465 -0.902 1.00 0.00 C ATOM 835 C PHE A 52 -1.532 -7.218 0.403 1.00 0.00 C ATOM 836 O PHE A 52 -2.335 -6.777 1.219 1.00 0.00 O ATOM 837 CB PHE A 52 0.256 -6.205 -1.121 1.00 0.00 C ATOM 838 CG PHE A 52 0.961 -5.319 -0.085 1.00 0.00 C ATOM 839 CD1 PHE A 52 0.751 -3.935 -0.060 1.00 0.00 C ATOM 840 CD2 PHE A 52 1.880 -5.861 0.818 1.00 0.00 C ATOM 841 CE1 PHE A 52 1.429 -3.130 0.834 1.00 0.00 C ATOM 842 CE2 PHE A 52 2.568 -5.053 1.701 1.00 0.00 C ATOM 843 CZ PHE A 52 2.341 -3.688 1.709 1.00 0.00 C ATOM 0 H PHE A 52 -2.579 -5.052 -0.052 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.577 -7.081 -1.748 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.765 -7.169 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.386 -5.750 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.049 -3.491 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.054 -6.927 0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.247 -2.066 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.283 -5.486 2.385 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.878 -3.057 2.401 1.00 0.00 H new ATOM 853 N THR A 53 -0.893 -8.384 0.565 1.00 0.00 N ATOM 854 CA THR A 53 -1.064 -9.238 1.752 1.00 0.00 C ATOM 855 C THR A 53 0.224 -9.307 2.604 1.00 0.00 C ATOM 856 O THR A 53 1.345 -9.172 2.094 1.00 0.00 O ATOM 857 CB THR A 53 -1.524 -10.680 1.342 1.00 0.00 C ATOM 858 OG1 THR A 53 -1.718 -11.477 2.519 1.00 0.00 O ATOM 859 CG2 THR A 53 -0.526 -11.375 0.381 1.00 0.00 C ATOM 0 H THR A 53 -0.242 -8.764 -0.122 1.00 0.00 H new ATOM 0 HA THR A 53 -1.842 -8.782 2.365 1.00 0.00 H new ATOM 0 HB THR A 53 -2.465 -10.581 0.800 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.036 -10.908 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.895 -12.370 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.427 -10.785 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.447 -11.460 0.866 1.00 0.00 H new ATOM 867 N SER A 54 0.024 -9.506 3.923 1.00 0.00 N ATOM 868 CA SER A 54 1.094 -9.773 4.904 1.00 0.00 C ATOM 869 C SER A 54 1.700 -11.181 4.691 1.00 0.00 C ATOM 870 O SER A 54 2.807 -11.462 5.158 1.00 0.00 O ATOM 871 CB SER A 54 0.524 -9.638 6.342 1.00 0.00 C ATOM 872 OG SER A 54 1.531 -9.753 7.335 1.00 0.00 O ATOM 0 H SER A 54 -0.905 -9.485 4.344 1.00 0.00 H new ATOM 0 HA SER A 54 1.891 -9.043 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.026 -8.674 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.232 -10.406 6.504 1.00 0.00 H new ATOM 0 HG SER A 54 1.329 -10.514 7.919 1.00 0.00 H new ATOM 878 N LYS A 55 0.947 -12.053 3.990 1.00 0.00 N ATOM 879 CA LYS A 55 1.389 -13.413 3.609 1.00 0.00 C ATOM 880 C LYS A 55 2.671 -13.372 2.747 1.00 0.00 C ATOM 881 O LYS A 55 3.533 -14.255 2.853 1.00 0.00 O ATOM 882 CB LYS A 55 0.240 -14.131 2.848 1.00 0.00 C ATOM 883 CG LYS A 55 0.583 -15.539 2.320 1.00 0.00 C ATOM 884 CD LYS A 55 -0.579 -16.191 1.536 1.00 0.00 C ATOM 885 CE LYS A 55 -0.198 -17.555 0.932 1.00 0.00 C ATOM 886 NZ LYS A 55 -1.332 -18.167 0.199 1.00 0.00 N ATOM 0 H LYS A 55 0.005 -11.832 3.668 1.00 0.00 H new ATOM 0 HA LYS A 55 1.628 -13.968 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.621 -14.209 3.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.062 -13.508 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.459 -15.475 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.852 -16.180 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.433 -16.319 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.894 -15.520 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.647 -17.430 0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.127 -18.227 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.037 -19.084 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.130 -18.310 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.625 -17.537 -0.575 1.00 0.00 H new ATOM 900 N ASP A 56 2.793 -12.329 1.907 1.00 0.00 N ATOM 901 CA ASP A 56 3.944 -12.163 0.994 1.00 0.00 C ATOM 902 C ASP A 56 4.723 -10.879 1.353 1.00 0.00 C ATOM 903 O ASP A 56 5.308 -10.209 0.488 1.00 0.00 O ATOM 904 CB ASP A 56 3.445 -12.159 -0.481 1.00 0.00 C ATOM 905 CG ASP A 56 4.562 -12.463 -1.501 1.00 0.00 C ATOM 906 OD1 ASP A 56 4.976 -13.639 -1.595 1.00 0.00 O ATOM 907 OD2 ASP A 56 5.035 -11.540 -2.208 1.00 0.00 O ATOM 0 H ASP A 56 2.103 -11.581 1.840 1.00 0.00 H new ATOM 0 HA ASP A 56 4.633 -13.000 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.651 -12.897 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.010 -11.186 -0.708 1.00 0.00 H new ATOM 912 N LYS A 57 4.755 -10.574 2.661 1.00 0.00 N ATOM 913 CA LYS A 57 5.509 -9.437 3.208 1.00 0.00 C ATOM 914 C LYS A 57 7.014 -9.761 3.207 1.00 0.00 C ATOM 915 O LYS A 57 7.446 -10.755 3.802 1.00 0.00 O ATOM 916 CB LYS A 57 5.009 -9.122 4.649 1.00 0.00 C ATOM 917 CG LYS A 57 5.815 -8.066 5.440 1.00 0.00 C ATOM 918 CD LYS A 57 5.824 -6.673 4.776 1.00 0.00 C ATOM 919 CE LYS A 57 6.538 -5.623 5.653 1.00 0.00 C ATOM 920 NZ LYS A 57 7.946 -5.984 5.952 1.00 0.00 N ATOM 0 H LYS A 57 4.256 -11.112 3.370 1.00 0.00 H new ATOM 0 HA LYS A 57 5.347 -8.557 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.974 -8.785 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.008 -10.050 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.398 -7.979 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.842 -8.413 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.320 -6.735 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.799 -6.353 4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.515 -4.658 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.991 -5.506 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.430 -5.169 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.966 -6.785 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.430 -6.251 5.071 1.00 0.00 H new ATOM 934 N PHE A 58 7.788 -8.919 2.509 1.00 0.00 N ATOM 935 CA PHE A 58 9.256 -8.996 2.463 1.00 0.00 C ATOM 936 C PHE A 58 9.833 -7.851 3.320 1.00 0.00 C ATOM 937 O PHE A 58 9.249 -6.756 3.390 1.00 0.00 O ATOM 938 CB PHE A 58 9.749 -8.902 0.986 1.00 0.00 C ATOM 939 CG PHE A 58 11.250 -9.126 0.781 1.00 0.00 C ATOM 940 CD1 PHE A 58 11.813 -10.392 0.951 1.00 0.00 C ATOM 941 CD2 PHE A 58 12.096 -8.081 0.412 1.00 0.00 C ATOM 942 CE1 PHE A 58 13.165 -10.601 0.759 1.00 0.00 C ATOM 943 CE2 PHE A 58 13.446 -8.297 0.217 1.00 0.00 C ATOM 944 CZ PHE A 58 13.982 -9.554 0.393 1.00 0.00 C ATOM 0 H PHE A 58 7.407 -8.154 1.952 1.00 0.00 H new ATOM 0 HA PHE A 58 9.599 -9.949 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.205 -9.635 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.489 -7.918 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 58 11.182 -11.221 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.690 -7.089 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.582 -11.588 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 58 14.085 -7.477 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 58 15.039 -9.718 0.245 1.00 0.00 H new ATOM 954 N ASP A 59 10.967 -8.127 3.976 1.00 0.00 N ATOM 955 CA ASP A 59 11.663 -7.169 4.868 1.00 0.00 C ATOM 956 C ASP A 59 12.264 -5.989 4.068 1.00 0.00 C ATOM 957 O ASP A 59 12.620 -6.146 2.899 1.00 0.00 O ATOM 958 CB ASP A 59 12.772 -7.901 5.669 1.00 0.00 C ATOM 959 CG ASP A 59 13.768 -8.641 4.759 1.00 0.00 C ATOM 960 OD1 ASP A 59 13.477 -9.788 4.347 1.00 0.00 O ATOM 961 OD2 ASP A 59 14.838 -8.084 4.440 1.00 0.00 O ATOM 0 H ASP A 59 11.438 -9.029 3.907 1.00 0.00 H new ATOM 0 HA ASP A 59 10.931 -6.759 5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.312 -7.177 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.311 -8.614 6.353 1.00 0.00 H new ATOM 966 N SER A 60 12.390 -4.823 4.722 1.00 0.00 N ATOM 967 CA SER A 60 12.892 -3.593 4.087 1.00 0.00 C ATOM 968 C SER A 60 13.555 -2.689 5.139 1.00 0.00 C ATOM 969 O SER A 60 12.916 -2.308 6.130 1.00 0.00 O ATOM 970 CB SER A 60 11.737 -2.845 3.381 1.00 0.00 C ATOM 971 OG SER A 60 12.190 -1.682 2.696 1.00 0.00 O ATOM 0 H SER A 60 12.147 -4.706 5.706 1.00 0.00 H new ATOM 0 HA SER A 60 13.638 -3.861 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.251 -3.516 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.986 -2.561 4.118 1.00 0.00 H new ATOM 0 HG SER A 60 11.423 -1.115 2.471 1.00 0.00 H new ATOM 977 N GLN A 61 14.845 -2.370 4.920 1.00 0.00 N ATOM 978 CA GLN A 61 15.614 -1.418 5.762 1.00 0.00 C ATOM 979 C GLN A 61 15.190 0.046 5.484 1.00 0.00 C ATOM 980 O GLN A 61 15.625 0.973 6.176 1.00 0.00 O ATOM 981 CB GLN A 61 17.135 -1.605 5.503 1.00 0.00 C ATOM 982 CG GLN A 61 17.594 -1.185 4.091 1.00 0.00 C ATOM 983 CD GLN A 61 19.052 -1.531 3.789 1.00 0.00 C ATOM 984 OE1 GLN A 61 19.346 -2.611 3.285 1.00 0.00 O ATOM 985 NE2 GLN A 61 19.973 -0.630 4.097 1.00 0.00 N ATOM 0 H GLN A 61 15.390 -2.764 4.153 1.00 0.00 H new ATOM 0 HA GLN A 61 15.399 -1.629 6.810 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.691 -1.026 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.392 -2.653 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.955 -1.669 3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.454 -0.110 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.697 0.259 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.958 -0.825 3.916 1.00 0.00 H new ATOM 994 N CYS A 62 14.339 0.230 4.456 1.00 0.00 N ATOM 995 CA CYS A 62 13.819 1.536 4.032 1.00 0.00 C ATOM 996 C CYS A 62 12.548 1.935 4.815 1.00 0.00 C ATOM 997 O CYS A 62 12.044 3.058 4.653 1.00 0.00 O ATOM 998 CB CYS A 62 13.505 1.456 2.529 1.00 0.00 C ATOM 999 SG CYS A 62 14.891 0.913 1.512 1.00 0.00 S ATOM 0 H CYS A 62 13.990 -0.542 3.889 1.00 0.00 H new ATOM 0 HA CYS A 62 14.570 2.299 4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 62 12.670 0.772 2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 62 13.179 2.437 2.185 1.00 0.00 H new ATOM 0 HG CYS A 62 14.526 0.876 0.265 1.00 0.00 H new ATOM 1005 N GLY A 63 12.013 1.001 5.632 1.00 0.00 N ATOM 1006 CA GLY A 63 10.776 1.237 6.394 1.00 0.00 C ATOM 1007 C GLY A 63 9.524 0.927 5.572 1.00 0.00 C ATOM 1008 O GLY A 63 8.600 0.259 6.063 1.00 0.00 O ATOM 0 H GLY A 63 12.422 0.078 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.781 0.620 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.746 2.276 6.722 1.00 0.00 H new ATOM 1012 N TRP A 64 9.491 1.443 4.318 1.00 0.00 N ATOM 1013 CA TRP A 64 8.426 1.152 3.341 1.00 0.00 C ATOM 1014 C TRP A 64 8.360 -0.369 3.070 1.00 0.00 C ATOM 1015 O TRP A 64 9.356 -0.934 2.606 1.00 0.00 O ATOM 1016 CB TRP A 64 8.669 1.892 1.998 1.00 0.00 C ATOM 1017 CG TRP A 64 8.721 3.397 2.077 1.00 0.00 C ATOM 1018 CD1 TRP A 64 7.690 4.245 2.366 1.00 0.00 C ATOM 1019 CD2 TRP A 64 9.859 4.227 1.830 1.00 0.00 C ATOM 1020 NE1 TRP A 64 8.117 5.539 2.303 1.00 0.00 N ATOM 1021 CE2 TRP A 64 9.447 5.556 1.983 1.00 0.00 C ATOM 1022 CE3 TRP A 64 11.183 3.966 1.487 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 10.321 6.627 1.819 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 12.052 5.025 1.328 1.00 0.00 C ATOM 1025 CH2 TRP A 64 11.617 6.344 1.490 1.00 0.00 C ATOM 0 H TRP A 64 10.208 2.074 3.960 1.00 0.00 H new ATOM 0 HA TRP A 64 7.485 1.500 3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.608 1.537 1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.879 1.611 1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.684 3.936 2.609 1.00 0.00 H new ATOM 0 HE1 TRP A 64 7.538 6.362 2.468 1.00 0.00 H new ATOM 0 HE3 TRP A 64 11.524 2.951 1.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 9.987 7.646 1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 13.084 4.833 1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 64 12.318 7.154 1.353 1.00 0.00 H new ATOM 1036 N PRO A 65 7.206 -1.052 3.364 1.00 0.00 N ATOM 1037 CA PRO A 65 7.052 -2.518 3.155 1.00 0.00 C ATOM 1038 C PRO A 65 7.330 -2.949 1.697 1.00 0.00 C ATOM 1039 O PRO A 65 6.621 -2.529 0.773 1.00 0.00 O ATOM 1040 CB PRO A 65 5.569 -2.792 3.560 1.00 0.00 C ATOM 1041 CG PRO A 65 4.907 -1.453 3.518 1.00 0.00 C ATOM 1042 CD PRO A 65 5.962 -0.463 3.929 1.00 0.00 C ATOM 0 HA PRO A 65 7.771 -3.090 3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.093 -3.490 2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.506 -3.233 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.532 -1.233 2.518 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.053 -1.418 4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.765 0.530 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.019 -0.360 5.013 1.00 0.00 H new ATOM 1050 N SER A 66 8.376 -3.770 1.518 1.00 0.00 N ATOM 1051 CA SER A 66 8.736 -4.335 0.220 1.00 0.00 C ATOM 1052 C SER A 66 7.978 -5.645 0.015 1.00 0.00 C ATOM 1053 O SER A 66 7.723 -6.381 0.974 1.00 0.00 O ATOM 1054 CB SER A 66 10.263 -4.546 0.133 1.00 0.00 C ATOM 1055 OG SER A 66 10.947 -3.301 0.230 1.00 0.00 O ATOM 0 H SER A 66 8.995 -4.058 2.276 1.00 0.00 H new ATOM 0 HA SER A 66 8.456 -3.643 -0.575 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.590 -5.210 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.515 -5.033 -0.809 1.00 0.00 H new ATOM 0 HG SER A 66 11.878 -3.459 0.494 1.00 0.00 H new ATOM 1061 N PHE A 67 7.562 -5.876 -1.231 1.00 0.00 N ATOM 1062 CA PHE A 67 6.844 -7.088 -1.647 1.00 0.00 C ATOM 1063 C PHE A 67 6.987 -7.273 -3.167 1.00 0.00 C ATOM 1064 O PHE A 67 7.490 -6.378 -3.865 1.00 0.00 O ATOM 1065 CB PHE A 67 5.355 -7.030 -1.211 1.00 0.00 C ATOM 1066 CG PHE A 67 4.575 -5.825 -1.742 1.00 0.00 C ATOM 1067 CD1 PHE A 67 4.668 -4.590 -1.110 1.00 0.00 C ATOM 1068 CD2 PHE A 67 3.751 -5.925 -2.865 1.00 0.00 C ATOM 1069 CE1 PHE A 67 3.971 -3.504 -1.574 1.00 0.00 C ATOM 1070 CE2 PHE A 67 3.052 -4.830 -3.327 1.00 0.00 C ATOM 1071 CZ PHE A 67 3.158 -3.620 -2.682 1.00 0.00 C ATOM 0 H PHE A 67 7.716 -5.217 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 67 7.284 -7.954 -1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.858 -7.941 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.310 -7.022 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.299 -4.484 -0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.660 -6.871 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.059 -2.553 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.420 -4.923 -4.198 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.607 -2.764 -3.042 1.00 0.00 H new ATOM 1081 N THR A 68 6.527 -8.427 -3.670 1.00 0.00 N ATOM 1082 CA THR A 68 6.755 -8.850 -5.062 1.00 0.00 C ATOM 1083 C THR A 68 5.540 -8.562 -5.976 1.00 0.00 C ATOM 1084 O THR A 68 5.707 -8.179 -7.144 1.00 0.00 O ATOM 1085 CB THR A 68 7.093 -10.374 -5.069 1.00 0.00 C ATOM 1086 OG1 THR A 68 8.096 -10.637 -4.073 1.00 0.00 O ATOM 1087 CG2 THR A 68 7.613 -10.853 -6.428 1.00 0.00 C ATOM 0 H THR A 68 5.985 -9.096 -3.123 1.00 0.00 H new ATOM 0 HA THR A 68 7.587 -8.272 -5.465 1.00 0.00 H new ATOM 0 HB THR A 68 6.171 -10.914 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.312 -11.593 -4.071 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.833 -11.919 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.856 -10.674 -7.191 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.521 -10.307 -6.683 1.00 0.00 H new ATOM 1095 N LYS A 69 4.320 -8.711 -5.426 1.00 0.00 N ATOM 1096 CA LYS A 69 3.078 -8.691 -6.225 1.00 0.00 C ATOM 1097 C LYS A 69 2.001 -7.849 -5.520 1.00 0.00 C ATOM 1098 O LYS A 69 1.553 -8.210 -4.423 1.00 0.00 O ATOM 1099 CB LYS A 69 2.545 -10.136 -6.460 1.00 0.00 C ATOM 1100 CG LYS A 69 1.271 -10.226 -7.347 1.00 0.00 C ATOM 1101 CD LYS A 69 1.507 -9.736 -8.804 1.00 0.00 C ATOM 1102 CE LYS A 69 0.243 -9.828 -9.681 1.00 0.00 C ATOM 1103 NZ LYS A 69 -0.856 -8.959 -9.177 1.00 0.00 N ATOM 0 H LYS A 69 4.167 -8.847 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 69 3.307 -8.243 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.335 -10.729 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.330 -10.590 -5.493 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.923 -11.259 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.477 -9.632 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.854 -8.703 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.301 -10.329 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.491 -9.542 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.100 -10.862 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.685 -9.544 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.539 -8.460 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.113 -8.265 -9.908 1.00 0.00 H new ATOM 1117 N PRO A 70 1.564 -6.711 -6.129 1.00 0.00 N ATOM 1118 CA PRO A 70 0.440 -5.919 -5.606 1.00 0.00 C ATOM 1119 C PRO A 70 -0.912 -6.493 -6.050 1.00 0.00 C ATOM 1120 O PRO A 70 -0.976 -7.482 -6.800 1.00 0.00 O ATOM 1121 CB PRO A 70 0.697 -4.533 -6.242 1.00 0.00 C ATOM 1122 CG PRO A 70 1.271 -4.863 -7.588 1.00 0.00 C ATOM 1123 CD PRO A 70 2.130 -6.096 -7.367 1.00 0.00 C ATOM 0 HA PRO A 70 0.389 -5.902 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.223 -3.955 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.390 -3.940 -5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.482 -5.058 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.864 -4.035 -7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.074 -6.779 -8.214 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.180 -5.834 -7.239 1.00 0.00 H new ATOM 1131 N ILE A 71 -1.977 -5.850 -5.583 1.00 0.00 N ATOM 1132 CA ILE A 71 -3.338 -6.136 -6.015 1.00 0.00 C ATOM 1133 C ILE A 71 -3.641 -5.183 -7.177 1.00 0.00 C ATOM 1134 O ILE A 71 -3.885 -3.988 -6.978 1.00 0.00 O ATOM 1135 CB ILE A 71 -4.364 -6.006 -4.824 1.00 0.00 C ATOM 1136 CG1 ILE A 71 -4.032 -7.101 -3.746 1.00 0.00 C ATOM 1137 CG2 ILE A 71 -5.842 -6.097 -5.306 1.00 0.00 C ATOM 1138 CD1 ILE A 71 -4.884 -7.070 -2.491 1.00 0.00 C ATOM 0 H ILE A 71 -1.917 -5.108 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.437 -7.168 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.261 -5.017 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.135 -8.083 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.987 -6.994 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.510 -6.002 -4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.044 -5.294 -6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.008 -7.059 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.569 -7.867 -1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.765 -6.107 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.931 -7.213 -2.758 1.00 0.00 H new ATOM 1150 N GLU A 72 -3.603 -5.750 -8.392 1.00 0.00 N ATOM 1151 CA GLU A 72 -3.638 -5.004 -9.673 1.00 0.00 C ATOM 1152 C GLU A 72 -4.974 -4.286 -9.896 1.00 0.00 C ATOM 1153 O GLU A 72 -5.081 -3.405 -10.755 1.00 0.00 O ATOM 1154 CB GLU A 72 -3.317 -5.970 -10.846 1.00 0.00 C ATOM 1155 CG GLU A 72 -4.250 -7.197 -10.958 1.00 0.00 C ATOM 1156 CD GLU A 72 -3.723 -8.264 -11.928 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -2.731 -8.946 -11.578 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -4.266 -8.410 -13.046 1.00 0.00 O ATOM 0 H GLU A 72 -3.546 -6.760 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.877 -4.225 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.364 -5.411 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.291 -6.322 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.376 -7.642 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.235 -6.868 -11.288 1.00 0.00 H new ATOM 1165 N GLU A 73 -5.977 -4.686 -9.103 1.00 0.00 N ATOM 1166 CA GLU A 73 -7.299 -4.080 -9.108 1.00 0.00 C ATOM 1167 C GLU A 73 -7.202 -2.599 -8.671 1.00 0.00 C ATOM 1168 O GLU A 73 -7.806 -1.724 -9.295 1.00 0.00 O ATOM 1169 CB GLU A 73 -8.238 -4.861 -8.151 1.00 0.00 C ATOM 1170 CG GLU A 73 -9.720 -4.448 -8.225 1.00 0.00 C ATOM 1171 CD GLU A 73 -10.385 -4.765 -9.571 1.00 0.00 C ATOM 1172 OE1 GLU A 73 -10.885 -5.895 -9.751 1.00 0.00 O ATOM 1173 OE2 GLU A 73 -10.428 -3.883 -10.450 1.00 0.00 O ATOM 0 H GLU A 73 -5.883 -5.450 -8.434 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.709 -4.122 -10.117 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.160 -5.925 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.887 -4.724 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.269 -4.955 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.799 -3.378 -8.034 1.00 0.00 H new ATOM 1180 N GLU A 74 -6.399 -2.330 -7.606 1.00 0.00 N ATOM 1181 CA GLU A 74 -6.306 -0.978 -6.980 1.00 0.00 C ATOM 1182 C GLU A 74 -4.928 -0.322 -7.158 1.00 0.00 C ATOM 1183 O GLU A 74 -4.725 0.830 -6.745 1.00 0.00 O ATOM 1184 CB GLU A 74 -6.679 -1.048 -5.466 1.00 0.00 C ATOM 1185 CG GLU A 74 -8.080 -1.643 -5.181 1.00 0.00 C ATOM 1186 CD GLU A 74 -9.234 -0.999 -5.992 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -9.236 0.233 -6.206 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -10.167 -1.720 -6.404 1.00 0.00 O ATOM 0 H GLU A 74 -5.806 -3.031 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.024 -0.347 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.931 -1.647 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.631 -0.044 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.056 -2.712 -5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.296 -1.535 -4.118 1.00 0.00 H new ATOM 1195 N VAL A 75 -3.990 -1.030 -7.803 1.00 0.00 N ATOM 1196 CA VAL A 75 -2.601 -0.561 -7.976 1.00 0.00 C ATOM 1197 C VAL A 75 -2.291 -0.429 -9.475 1.00 0.00 C ATOM 1198 O VAL A 75 -2.688 -1.282 -10.272 1.00 0.00 O ATOM 1199 CB VAL A 75 -1.572 -1.531 -7.271 1.00 0.00 C ATOM 1200 CG1 VAL A 75 -0.112 -1.073 -7.511 1.00 0.00 C ATOM 1201 CG2 VAL A 75 -1.862 -1.649 -5.746 1.00 0.00 C ATOM 0 H VAL A 75 -4.169 -1.943 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.500 0.415 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.696 -2.517 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.572 -1.761 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.096 -1.066 -8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.026 -0.070 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.138 -2.323 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.784 -0.665 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.868 -2.042 -5.596 1.00 0.00 H new ATOM 1211 N GLU A 76 -1.618 0.678 -9.834 1.00 0.00 N ATOM 1212 CA GLU A 76 -1.177 0.983 -11.215 1.00 0.00 C ATOM 1213 C GLU A 76 0.321 1.302 -11.219 1.00 0.00 C ATOM 1214 O GLU A 76 0.742 2.200 -10.500 1.00 0.00 O ATOM 1215 CB GLU A 76 -1.947 2.208 -11.804 1.00 0.00 C ATOM 1216 CG GLU A 76 -3.451 2.003 -12.072 1.00 0.00 C ATOM 1217 CD GLU A 76 -4.142 3.244 -12.691 1.00 0.00 C ATOM 1218 OE1 GLU A 76 -3.479 4.022 -13.414 1.00 0.00 O ATOM 1219 OE2 GLU A 76 -5.343 3.466 -12.440 1.00 0.00 O ATOM 0 H GLU A 76 -1.358 1.402 -9.164 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.386 0.108 -11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.833 3.047 -11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.468 2.495 -12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.580 1.153 -12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.948 1.749 -11.136 1.00 0.00 H new ATOM 1226 N GLU A 77 1.101 0.607 -12.066 1.00 0.00 N ATOM 1227 CA GLU A 77 2.528 0.898 -12.261 1.00 0.00 C ATOM 1228 C GLU A 77 2.620 1.976 -13.340 1.00 0.00 C ATOM 1229 O GLU A 77 2.259 1.741 -14.497 1.00 0.00 O ATOM 1230 CB GLU A 77 3.344 -0.366 -12.672 1.00 0.00 C ATOM 1231 CG GLU A 77 3.554 -1.399 -11.537 1.00 0.00 C ATOM 1232 CD GLU A 77 2.265 -2.056 -11.024 1.00 0.00 C ATOM 1233 OE1 GLU A 77 1.442 -2.494 -11.857 1.00 0.00 O ATOM 1234 OE2 GLU A 77 2.096 -2.199 -9.797 1.00 0.00 O ATOM 0 H GLU A 77 0.759 -0.170 -12.632 1.00 0.00 H new ATOM 0 HA GLU A 77 2.963 1.238 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.835 -0.857 -13.501 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.319 -0.048 -13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.227 -2.179 -11.893 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.052 -0.906 -10.702 1.00 0.00 H new ATOM 1241 N LYS A 78 3.069 3.164 -12.943 1.00 0.00 N ATOM 1242 CA LYS A 78 3.086 4.352 -13.788 1.00 0.00 C ATOM 1243 C LYS A 78 4.499 4.923 -13.770 1.00 0.00 C ATOM 1244 O LYS A 78 4.900 5.527 -12.784 1.00 0.00 O ATOM 1245 CB LYS A 78 2.033 5.368 -13.248 1.00 0.00 C ATOM 1246 CG LYS A 78 1.808 6.612 -14.136 1.00 0.00 C ATOM 1247 CD LYS A 78 0.589 7.478 -13.709 1.00 0.00 C ATOM 1248 CE LYS A 78 -0.788 6.808 -13.977 1.00 0.00 C ATOM 1249 NZ LYS A 78 -1.081 5.659 -13.081 1.00 0.00 N ATOM 0 H LYS A 78 3.438 3.330 -12.007 1.00 0.00 H new ATOM 0 HA LYS A 78 2.822 4.120 -14.820 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.081 4.851 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.345 5.699 -12.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.706 7.230 -14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.669 6.290 -15.168 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.671 7.703 -12.646 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.628 8.429 -14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.573 7.555 -13.863 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.820 6.467 -15.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.099 5.635 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.805 4.773 -13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.545 5.763 -12.196 1.00 0.00 H new ATOM 1263 N LEU A 79 5.258 4.702 -14.849 1.00 0.00 N ATOM 1264 CA LEU A 79 6.684 5.058 -14.915 1.00 0.00 C ATOM 1265 C LEU A 79 6.876 6.590 -14.888 1.00 0.00 C ATOM 1266 O LEU A 79 6.075 7.330 -15.474 1.00 0.00 O ATOM 1267 CB LEU A 79 7.310 4.439 -16.193 1.00 0.00 C ATOM 1268 CG LEU A 79 8.850 4.630 -16.368 1.00 0.00 C ATOM 1269 CD1 LEU A 79 9.616 4.046 -15.172 1.00 0.00 C ATOM 1270 CD2 LEU A 79 9.353 4.029 -17.701 1.00 0.00 C ATOM 0 H LEU A 79 4.903 4.271 -15.703 1.00 0.00 H new ATOM 0 HA LEU A 79 7.192 4.654 -14.039 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.095 3.371 -16.197 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.811 4.868 -17.062 1.00 0.00 H new ATOM 0 HG LEU A 79 9.045 5.702 -16.403 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.686 4.192 -15.319 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.303 4.551 -14.258 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.403 2.980 -15.089 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.429 4.182 -17.786 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.135 2.961 -17.724 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.850 4.520 -18.534 1.00 0.00 H new ATOM 1282 N ASP A 80 7.945 7.043 -14.210 1.00 0.00 N ATOM 1283 CA ASP A 80 8.269 8.471 -14.037 1.00 0.00 C ATOM 1284 C ASP A 80 9.617 8.759 -14.710 1.00 0.00 C ATOM 1285 O ASP A 80 10.496 7.890 -14.772 1.00 0.00 O ATOM 1286 CB ASP A 80 8.334 8.852 -12.522 1.00 0.00 C ATOM 1287 CG ASP A 80 8.745 10.323 -12.264 1.00 0.00 C ATOM 1288 OD1 ASP A 80 9.959 10.612 -12.182 1.00 0.00 O ATOM 1289 OD2 ASP A 80 7.859 11.198 -12.146 1.00 0.00 O ATOM 0 H ASP A 80 8.617 6.421 -13.761 1.00 0.00 H new ATOM 0 HA ASP A 80 7.485 9.072 -14.499 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.359 8.672 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.044 8.193 -12.021 1.00 0.00 H new ATOM 1294 N THR A 81 9.748 9.987 -15.210 1.00 0.00 N ATOM 1295 CA THR A 81 10.990 10.529 -15.762 1.00 0.00 C ATOM 1296 C THR A 81 11.125 12.036 -15.385 1.00 0.00 C ATOM 1297 O THR A 81 12.088 12.707 -15.784 1.00 0.00 O ATOM 1298 CB THR A 81 11.030 10.315 -17.315 1.00 0.00 C ATOM 1299 OG1 THR A 81 12.296 10.724 -17.839 1.00 0.00 O ATOM 1300 CG2 THR A 81 9.899 11.065 -18.046 1.00 0.00 C ATOM 0 H THR A 81 8.974 10.650 -15.243 1.00 0.00 H new ATOM 0 HA THR A 81 11.840 9.999 -15.333 1.00 0.00 H new ATOM 0 HB THR A 81 10.882 9.249 -17.490 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.624 11.498 -17.335 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.974 10.882 -19.118 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.934 10.710 -17.684 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.988 12.134 -17.853 1.00 0.00 H new ATOM 1308 N SER A 82 10.157 12.539 -14.573 1.00 0.00 N ATOM 1309 CA SER A 82 10.092 13.951 -14.142 1.00 0.00 C ATOM 1310 C SER A 82 11.198 14.287 -13.121 1.00 0.00 C ATOM 1311 O SER A 82 11.639 15.438 -13.027 1.00 0.00 O ATOM 1312 CB SER A 82 8.700 14.269 -13.551 1.00 0.00 C ATOM 1313 OG SER A 82 7.669 14.054 -14.500 1.00 0.00 O ATOM 0 H SER A 82 9.398 11.968 -14.200 1.00 0.00 H new ATOM 0 HA SER A 82 10.255 14.573 -15.022 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.525 13.645 -12.675 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.675 15.305 -13.214 1.00 0.00 H new ATOM 0 HG SER A 82 6.802 14.263 -14.094 1.00 0.00 H new ATOM 1319 N HIS A 83 11.648 13.265 -12.369 1.00 0.00 N ATOM 1320 CA HIS A 83 12.773 13.398 -11.410 1.00 0.00 C ATOM 1321 C HIS A 83 14.141 13.428 -12.134 1.00 0.00 C ATOM 1322 O HIS A 83 15.186 13.547 -11.484 1.00 0.00 O ATOM 1323 CB HIS A 83 12.734 12.244 -10.370 1.00 0.00 C ATOM 1324 CG HIS A 83 11.529 12.288 -9.467 1.00 0.00 C ATOM 1325 ND1 HIS A 83 10.511 11.362 -9.508 1.00 0.00 N ATOM 1326 CD2 HIS A 83 11.187 13.163 -8.496 1.00 0.00 C ATOM 1327 CE1 HIS A 83 9.596 11.669 -8.617 1.00 0.00 C ATOM 1328 NE2 HIS A 83 9.981 12.756 -7.986 1.00 0.00 N ATOM 0 H HIS A 83 11.248 12.327 -12.405 1.00 0.00 H new ATOM 0 HA HIS A 83 12.655 14.349 -10.890 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.748 11.290 -10.897 1.00 0.00 H new ATOM 0 HB3 HIS A 83 13.637 12.285 -9.760 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.473 10.559 -10.136 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.758 14.024 -8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.683 11.122 -8.434 1.00 0.00 H new ATOM 1337 N GLY A 84 14.120 13.336 -13.483 1.00 0.00 N ATOM 1338 CA GLY A 84 15.338 13.267 -14.288 1.00 0.00 C ATOM 1339 C GLY A 84 15.897 11.856 -14.361 1.00 0.00 C ATOM 1340 O GLY A 84 17.022 11.649 -14.830 1.00 0.00 O ATOM 0 H GLY A 84 13.260 13.308 -14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.127 13.625 -15.296 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.090 13.933 -13.864 1.00 0.00 H new ATOM 1344 N MET A 85 15.087 10.878 -13.914 1.00 0.00 N ATOM 1345 CA MET A 85 15.469 9.466 -13.864 1.00 0.00 C ATOM 1346 C MET A 85 14.226 8.577 -14.067 1.00 0.00 C ATOM 1347 O MET A 85 13.141 8.881 -13.556 1.00 0.00 O ATOM 1348 CB MET A 85 16.172 9.135 -12.514 1.00 0.00 C ATOM 1349 CG MET A 85 16.540 7.651 -12.328 1.00 0.00 C ATOM 1350 SD MET A 85 17.527 7.015 -13.710 1.00 0.00 S ATOM 1351 CE MET A 85 17.587 5.254 -13.344 1.00 0.00 C ATOM 0 H MET A 85 14.141 11.054 -13.576 1.00 0.00 H new ATOM 0 HA MET A 85 16.176 9.264 -14.669 1.00 0.00 H new ATOM 0 HB2 MET A 85 17.080 9.733 -12.436 1.00 0.00 H new ATOM 0 HB3 MET A 85 15.519 9.439 -11.696 1.00 0.00 H new ATOM 0 HG2 MET A 85 17.097 7.530 -11.399 1.00 0.00 H new ATOM 0 HG3 MET A 85 15.628 7.061 -12.232 1.00 0.00 H new ATOM 0 HE1 MET A 85 18.509 4.831 -13.743 1.00 0.00 H new ATOM 0 HE2 MET A 85 17.557 5.106 -12.265 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.732 4.758 -13.802 1.00 0.00 H new ATOM 1361 N ILE A 86 14.417 7.492 -14.836 1.00 0.00 N ATOM 1362 CA ILE A 86 13.425 6.424 -15.010 1.00 0.00 C ATOM 1363 C ILE A 86 13.291 5.633 -13.693 1.00 0.00 C ATOM 1364 O ILE A 86 14.227 4.952 -13.272 1.00 0.00 O ATOM 1365 CB ILE A 86 13.834 5.489 -16.222 1.00 0.00 C ATOM 1366 CG1 ILE A 86 13.647 6.246 -17.578 1.00 0.00 C ATOM 1367 CG2 ILE A 86 13.084 4.127 -16.233 1.00 0.00 C ATOM 1368 CD1 ILE A 86 12.216 6.659 -17.888 1.00 0.00 C ATOM 0 H ILE A 86 15.277 7.332 -15.360 1.00 0.00 H new ATOM 0 HA ILE A 86 12.453 6.855 -15.248 1.00 0.00 H new ATOM 0 HB ILE A 86 14.888 5.246 -16.088 1.00 0.00 H new ATOM 0 HG12 ILE A 86 14.273 7.138 -17.569 1.00 0.00 H new ATOM 0 HG13 ILE A 86 14.009 5.610 -18.386 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.412 3.538 -17.089 1.00 0.00 H new ATOM 0 HG22 ILE A 86 13.302 3.584 -15.313 1.00 0.00 H new ATOM 0 HG23 ILE A 86 12.011 4.303 -16.304 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.186 7.177 -18.847 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.583 5.773 -17.934 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.852 7.324 -17.105 1.00 0.00 H new ATOM 1380 N ARG A 87 12.125 5.775 -13.046 1.00 0.00 N ATOM 1381 CA ARG A 87 11.797 5.122 -11.769 1.00 0.00 C ATOM 1382 C ARG A 87 10.269 5.057 -11.695 1.00 0.00 C ATOM 1383 O ARG A 87 9.609 6.080 -11.842 1.00 0.00 O ATOM 1384 CB ARG A 87 12.433 5.925 -10.578 1.00 0.00 C ATOM 1385 CG ARG A 87 12.416 5.232 -9.176 1.00 0.00 C ATOM 1386 CD ARG A 87 11.078 5.366 -8.422 1.00 0.00 C ATOM 1387 NE ARG A 87 10.736 6.777 -8.146 1.00 0.00 N ATOM 1388 CZ ARG A 87 9.513 7.315 -8.273 1.00 0.00 C ATOM 1389 NH1 ARG A 87 8.521 6.624 -8.805 1.00 0.00 N ATOM 1390 NH2 ARG A 87 9.293 8.557 -7.897 1.00 0.00 N ATOM 0 H ARG A 87 11.368 6.359 -13.402 1.00 0.00 H new ATOM 0 HA ARG A 87 12.206 4.114 -11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.468 6.150 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.911 6.878 -10.493 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.644 4.174 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.210 5.658 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.283 4.909 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.135 4.816 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 87 11.489 7.390 -7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.679 5.669 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.597 7.046 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.053 9.114 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.362 8.962 -7.995 1.00 0.00 H new ATOM 1404 N THR A 88 9.712 3.861 -11.467 1.00 0.00 N ATOM 1405 CA THR A 88 8.279 3.619 -11.649 1.00 0.00 C ATOM 1406 C THR A 88 7.525 4.029 -10.380 1.00 0.00 C ATOM 1407 O THR A 88 8.019 3.851 -9.289 1.00 0.00 O ATOM 1408 CB THR A 88 8.006 2.118 -12.014 1.00 0.00 C ATOM 1409 OG1 THR A 88 8.833 1.722 -13.118 1.00 0.00 O ATOM 1410 CG2 THR A 88 6.528 1.852 -12.367 1.00 0.00 C ATOM 0 H THR A 88 10.236 3.044 -11.155 1.00 0.00 H new ATOM 0 HA THR A 88 7.918 4.224 -12.481 1.00 0.00 H new ATOM 0 HB THR A 88 8.246 1.530 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.657 0.783 -13.338 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.396 0.798 -12.611 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.899 2.108 -11.515 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.243 2.461 -13.225 1.00 0.00 H new ATOM 1418 N GLU A 89 6.381 4.673 -10.530 1.00 0.00 N ATOM 1419 CA GLU A 89 5.480 5.003 -9.412 1.00 0.00 C ATOM 1420 C GLU A 89 4.408 3.903 -9.340 1.00 0.00 C ATOM 1421 O GLU A 89 4.234 3.141 -10.294 1.00 0.00 O ATOM 1422 CB GLU A 89 4.825 6.399 -9.666 1.00 0.00 C ATOM 1423 CG GLU A 89 4.308 7.146 -8.410 1.00 0.00 C ATOM 1424 CD GLU A 89 5.427 7.800 -7.570 1.00 0.00 C ATOM 1425 OE1 GLU A 89 6.325 8.445 -8.166 1.00 0.00 O ATOM 1426 OE2 GLU A 89 5.398 7.725 -6.328 1.00 0.00 O ATOM 0 H GLU A 89 6.037 4.990 -11.437 1.00 0.00 H new ATOM 0 HA GLU A 89 6.024 5.053 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.555 7.035 -10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.991 6.267 -10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.603 7.916 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.758 6.445 -7.782 1.00 0.00 H new ATOM 1433 N VAL A 90 3.729 3.790 -8.201 1.00 0.00 N ATOM 1434 CA VAL A 90 2.468 3.037 -8.101 1.00 0.00 C ATOM 1435 C VAL A 90 1.408 3.960 -7.518 1.00 0.00 C ATOM 1436 O VAL A 90 1.516 4.419 -6.377 1.00 0.00 O ATOM 1437 CB VAL A 90 2.563 1.688 -7.298 1.00 0.00 C ATOM 1438 CG1 VAL A 90 3.352 0.630 -8.091 1.00 0.00 C ATOM 1439 CG2 VAL A 90 3.172 1.885 -5.897 1.00 0.00 C ATOM 0 H VAL A 90 4.030 4.213 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 90 2.199 2.719 -9.108 1.00 0.00 H new ATOM 0 HB VAL A 90 1.543 1.329 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.403 -0.293 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.851 0.438 -9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.361 0.996 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.217 0.926 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.178 2.293 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.553 2.576 -5.325 1.00 0.00 H new ATOM 1449 N ARG A 91 0.411 4.283 -8.349 1.00 0.00 N ATOM 1450 CA ARG A 91 -0.683 5.176 -7.985 1.00 0.00 C ATOM 1451 C ARG A 91 -1.825 5.042 -9.005 1.00 0.00 C ATOM 1452 O ARG A 91 -1.583 5.091 -10.221 1.00 0.00 O ATOM 1453 CB ARG A 91 -0.169 6.651 -7.841 1.00 0.00 C ATOM 1454 CG ARG A 91 0.606 7.265 -9.049 1.00 0.00 C ATOM 1455 CD ARG A 91 -0.297 7.961 -10.088 1.00 0.00 C ATOM 1456 NE ARG A 91 -1.145 8.989 -9.467 1.00 0.00 N ATOM 1457 CZ ARG A 91 -0.780 10.264 -9.233 1.00 0.00 C ATOM 1458 NH1 ARG A 91 0.424 10.719 -9.559 1.00 0.00 N ATOM 1459 NH2 ARG A 91 -1.642 11.084 -8.658 1.00 0.00 N ATOM 0 H ARG A 91 0.345 3.926 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.080 4.890 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.029 7.288 -7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.480 6.697 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.331 7.986 -8.673 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.170 6.475 -9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.322 8.417 -10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.926 7.219 -10.580 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.087 8.714 -9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.102 10.097 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.671 11.690 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.569 10.748 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.380 12.053 -8.474 1.00 0.00 H new ATOM 1473 N SER A 92 -3.058 4.819 -8.518 1.00 0.00 N ATOM 1474 CA SER A 92 -4.262 4.897 -9.362 1.00 0.00 C ATOM 1475 C SER A 92 -4.758 6.351 -9.393 1.00 0.00 C ATOM 1476 O SER A 92 -4.326 7.189 -8.589 1.00 0.00 O ATOM 1477 CB SER A 92 -5.352 3.919 -8.872 1.00 0.00 C ATOM 1478 OG SER A 92 -6.499 3.941 -9.694 1.00 0.00 O ATOM 0 H SER A 92 -3.247 4.583 -7.544 1.00 0.00 H new ATOM 0 HA SER A 92 -4.015 4.593 -10.379 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.945 2.908 -8.846 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.634 4.175 -7.851 1.00 0.00 H new ATOM 0 HG SER A 92 -6.234 3.812 -10.629 1.00 0.00 H new ATOM 1484 N ARG A 93 -5.675 6.629 -10.315 1.00 0.00 N ATOM 1485 CA ARG A 93 -6.056 7.996 -10.694 1.00 0.00 C ATOM 1486 C ARG A 93 -7.206 8.560 -9.838 1.00 0.00 C ATOM 1487 O ARG A 93 -7.326 9.785 -9.715 1.00 0.00 O ATOM 1488 CB ARG A 93 -6.380 8.004 -12.209 1.00 0.00 C ATOM 1489 CG ARG A 93 -5.127 7.830 -13.114 1.00 0.00 C ATOM 1490 CD ARG A 93 -5.466 7.291 -14.512 1.00 0.00 C ATOM 1491 NE ARG A 93 -5.835 5.861 -14.457 1.00 0.00 N ATOM 1492 CZ ARG A 93 -6.018 5.060 -15.512 1.00 0.00 C ATOM 1493 NH1 ARG A 93 -5.926 5.529 -16.750 1.00 0.00 N ATOM 1494 NH2 ARG A 93 -6.262 3.774 -15.310 1.00 0.00 N ATOM 0 H ARG A 93 -6.182 5.908 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.220 8.667 -10.497 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.088 7.204 -12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.873 8.943 -12.462 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.622 8.791 -13.214 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.427 7.150 -12.629 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.289 7.866 -14.937 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.610 7.423 -15.173 1.00 0.00 H new ATOM 0 HE ARG A 93 -5.961 5.449 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.713 6.514 -16.908 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.068 4.905 -17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -6.308 3.407 -14.359 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.404 3.151 -16.105 1.00 0.00 H new ATOM 1508 N THR A 94 -8.046 7.691 -9.236 1.00 0.00 N ATOM 1509 CA THR A 94 -9.187 8.154 -8.419 1.00 0.00 C ATOM 1510 C THR A 94 -8.749 8.476 -6.969 1.00 0.00 C ATOM 1511 O THR A 94 -8.718 9.643 -6.565 1.00 0.00 O ATOM 1512 CB THR A 94 -10.326 7.075 -8.410 1.00 0.00 C ATOM 1513 OG1 THR A 94 -10.584 6.628 -9.751 1.00 0.00 O ATOM 1514 CG2 THR A 94 -11.629 7.610 -7.786 1.00 0.00 C ATOM 0 H THR A 94 -7.957 6.677 -9.299 1.00 0.00 H new ATOM 0 HA THR A 94 -9.567 9.071 -8.869 1.00 0.00 H new ATOM 0 HB THR A 94 -9.982 6.243 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.295 5.953 -9.740 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.388 6.828 -7.802 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.442 7.913 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.981 8.469 -8.358 1.00 0.00 H new ATOM 1522 N ALA A 95 -8.363 7.429 -6.214 1.00 0.00 N ATOM 1523 CA ALA A 95 -8.045 7.546 -4.769 1.00 0.00 C ATOM 1524 C ALA A 95 -6.593 7.150 -4.471 1.00 0.00 C ATOM 1525 O ALA A 95 -5.923 7.772 -3.644 1.00 0.00 O ATOM 1526 CB ALA A 95 -9.009 6.664 -3.950 1.00 0.00 C ATOM 0 H ALA A 95 -8.262 6.483 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.168 8.591 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -8.772 6.753 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.035 6.990 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.903 5.624 -4.259 1.00 0.00 H new ATOM 1532 N ASP A 96 -6.114 6.114 -5.180 1.00 0.00 N ATOM 1533 CA ASP A 96 -4.875 5.366 -4.843 1.00 0.00 C ATOM 1534 C ASP A 96 -3.575 6.107 -5.201 1.00 0.00 C ATOM 1535 O ASP A 96 -2.526 5.494 -5.321 1.00 0.00 O ATOM 1536 CB ASP A 96 -4.907 3.941 -5.426 1.00 0.00 C ATOM 1537 CG ASP A 96 -6.202 3.189 -5.084 1.00 0.00 C ATOM 1538 OD1 ASP A 96 -6.312 2.660 -3.961 1.00 0.00 O ATOM 1539 OD2 ASP A 96 -7.137 3.187 -5.915 1.00 0.00 O ATOM 0 H ASP A 96 -6.578 5.762 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.863 5.289 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.798 3.994 -6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.054 3.378 -5.046 1.00 0.00 H new ATOM 1544 N SER A 97 -3.642 7.425 -5.402 1.00 0.00 N ATOM 1545 CA SER A 97 -2.429 8.267 -5.522 1.00 0.00 C ATOM 1546 C SER A 97 -1.591 8.223 -4.207 1.00 0.00 C ATOM 1547 O SER A 97 -0.418 8.597 -4.191 1.00 0.00 O ATOM 1548 CB SER A 97 -2.840 9.705 -5.874 1.00 0.00 C ATOM 1549 OG SER A 97 -3.609 9.734 -7.069 1.00 0.00 O ATOM 0 H SER A 97 -4.518 7.941 -5.486 1.00 0.00 H new ATOM 0 HA SER A 97 -1.798 7.877 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.417 10.133 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.950 10.323 -5.994 1.00 0.00 H new ATOM 0 HG SER A 97 -3.648 8.834 -7.455 1.00 0.00 H new ATOM 1555 N HIS A 98 -2.240 7.729 -3.134 1.00 0.00 N ATOM 1556 CA HIS A 98 -1.661 7.570 -1.789 1.00 0.00 C ATOM 1557 C HIS A 98 -0.664 6.379 -1.650 1.00 0.00 C ATOM 1558 O HIS A 98 -0.035 6.250 -0.586 1.00 0.00 O ATOM 1559 CB HIS A 98 -2.814 7.425 -0.744 1.00 0.00 C ATOM 1560 CG HIS A 98 -3.814 6.327 -1.044 1.00 0.00 C ATOM 1561 ND1 HIS A 98 -5.166 6.558 -1.161 1.00 0.00 N ATOM 1562 CD2 HIS A 98 -3.654 4.997 -1.249 1.00 0.00 C ATOM 1563 CE1 HIS A 98 -5.789 5.425 -1.426 1.00 0.00 C ATOM 1564 NE2 HIS A 98 -4.892 4.465 -1.487 1.00 0.00 N ATOM 0 H HIS A 98 -3.211 7.421 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.072 8.468 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -2.375 7.238 0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -3.347 8.374 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.720 4.456 -1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.853 5.306 -1.568 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.088 3.483 -1.680 1.00 0.00 H new ATOM 1573 N LEU A 99 -0.560 5.492 -2.677 1.00 0.00 N ATOM 1574 CA LEU A 99 0.230 4.228 -2.558 1.00 0.00 C ATOM 1575 C LEU A 99 1.727 4.475 -2.280 1.00 0.00 C ATOM 1576 O LEU A 99 2.174 4.313 -1.143 1.00 0.00 O ATOM 1577 CB LEU A 99 0.089 3.343 -3.822 1.00 0.00 C ATOM 1578 CG LEU A 99 -1.344 2.930 -4.232 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -1.349 2.065 -5.509 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -2.082 2.252 -3.078 1.00 0.00 C ATOM 0 H LEU A 99 -1.005 5.623 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.192 3.706 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.542 3.874 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.672 2.435 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.889 3.843 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.375 1.796 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.907 2.628 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.769 1.159 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.086 1.975 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.539 1.357 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.149 2.940 -2.235 1.00 0.00 H new ATOM 1592 N GLY A 100 2.493 4.887 -3.310 1.00 0.00 N ATOM 1593 CA GLY A 100 3.941 5.039 -3.166 1.00 0.00 C ATOM 1594 C GLY A 100 4.689 4.934 -4.482 1.00 0.00 C ATOM 1595 O GLY A 100 4.118 5.130 -5.554 1.00 0.00 O ATOM 0 H GLY A 100 2.132 5.116 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.154 6.006 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.313 4.276 -2.482 1.00 0.00 H new ATOM 1599 N HIS A 101 5.984 4.633 -4.378 1.00 0.00 N ATOM 1600 CA HIS A 101 6.941 4.586 -5.508 1.00 0.00 C ATOM 1601 C HIS A 101 7.628 3.218 -5.525 1.00 0.00 C ATOM 1602 O HIS A 101 7.694 2.546 -4.490 1.00 0.00 O ATOM 1603 CB HIS A 101 7.980 5.724 -5.329 1.00 0.00 C ATOM 1604 CG HIS A 101 8.551 5.795 -3.928 1.00 0.00 C ATOM 1605 ND1 HIS A 101 7.985 6.561 -2.937 1.00 0.00 N ATOM 1606 CD2 HIS A 101 9.595 5.160 -3.349 1.00 0.00 C ATOM 1607 CE1 HIS A 101 8.656 6.397 -1.816 1.00 0.00 C ATOM 1608 NE2 HIS A 101 9.639 5.551 -2.033 1.00 0.00 N ATOM 0 H HIS A 101 6.419 4.407 -3.483 1.00 0.00 H new ATOM 0 HA HIS A 101 6.424 4.726 -6.457 1.00 0.00 H new ATOM 0 HB2 HIS A 101 8.794 5.579 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.511 6.677 -5.572 1.00 0.00 H new ATOM 0 HD1 HIS A 101 7.170 7.164 -3.052 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.271 4.471 -3.833 1.00 0.00 H new ATOM 0 HE1 HIS A 101 8.436 6.878 -0.874 1.00 0.00 H new ATOM 1617 N VAL A 102 8.152 2.796 -6.688 1.00 0.00 N ATOM 1618 CA VAL A 102 8.797 1.480 -6.832 1.00 0.00 C ATOM 1619 C VAL A 102 10.072 1.611 -7.682 1.00 0.00 C ATOM 1620 O VAL A 102 10.103 2.321 -8.691 1.00 0.00 O ATOM 1621 CB VAL A 102 7.829 0.380 -7.426 1.00 0.00 C ATOM 1622 CG1 VAL A 102 6.536 0.253 -6.604 1.00 0.00 C ATOM 1623 CG2 VAL A 102 7.480 0.631 -8.890 1.00 0.00 C ATOM 0 H VAL A 102 8.141 3.349 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 102 9.063 1.139 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 102 8.381 -0.558 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.898 -0.513 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.782 -0.026 -5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.010 1.207 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.813 -0.155 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.985 1.597 -8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.392 0.630 -9.487 1.00 0.00 H new ATOM 1633 N PHE A 103 11.133 0.927 -7.262 1.00 0.00 N ATOM 1634 CA PHE A 103 12.461 1.045 -7.883 1.00 0.00 C ATOM 1635 C PHE A 103 12.705 -0.117 -8.846 1.00 0.00 C ATOM 1636 O PHE A 103 12.433 -1.269 -8.519 1.00 0.00 O ATOM 1637 CB PHE A 103 13.546 1.103 -6.787 1.00 0.00 C ATOM 1638 CG PHE A 103 13.502 2.376 -5.937 1.00 0.00 C ATOM 1639 CD1 PHE A 103 12.681 2.463 -4.811 1.00 0.00 C ATOM 1640 CD2 PHE A 103 14.281 3.484 -6.271 1.00 0.00 C ATOM 1641 CE1 PHE A 103 12.649 3.614 -4.051 1.00 0.00 C ATOM 1642 CE2 PHE A 103 14.243 4.634 -5.511 1.00 0.00 C ATOM 1643 CZ PHE A 103 13.427 4.699 -4.401 1.00 0.00 C ATOM 0 H PHE A 103 11.102 0.272 -6.480 1.00 0.00 H new ATOM 0 HA PHE A 103 12.507 1.968 -8.461 1.00 0.00 H new ATOM 0 HB2 PHE A 103 13.435 0.238 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 103 14.527 1.025 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.065 1.621 -4.532 1.00 0.00 H new ATOM 0 HD2 PHE A 103 14.924 3.440 -7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.013 3.666 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.852 5.483 -5.785 1.00 0.00 H new ATOM 0 HZ PHE A 103 13.397 5.599 -3.805 1.00 0.00 H new ATOM 1653 N ASN A 104 13.268 0.205 -10.018 1.00 0.00 N ATOM 1654 CA ASN A 104 13.423 -0.744 -11.143 1.00 0.00 C ATOM 1655 C ASN A 104 14.687 -1.629 -10.988 1.00 0.00 C ATOM 1656 O ASN A 104 15.096 -2.310 -11.934 1.00 0.00 O ATOM 1657 CB ASN A 104 13.456 0.054 -12.487 1.00 0.00 C ATOM 1658 CG ASN A 104 12.218 0.952 -12.721 1.00 0.00 C ATOM 1659 OD1 ASN A 104 11.627 1.504 -11.786 1.00 0.00 O ATOM 1660 ND2 ASN A 104 11.804 1.095 -13.973 1.00 0.00 N ATOM 0 H ASN A 104 13.633 1.136 -10.220 1.00 0.00 H new ATOM 0 HA ASN A 104 12.569 -1.422 -11.144 1.00 0.00 H new ATOM 0 HB2 ASN A 104 14.351 0.676 -12.506 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.541 -0.651 -13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.985 1.668 -14.177 1.00 0.00 H new ATOM 0 HD22 ASN A 104 12.304 0.632 -14.732 1.00 0.00 H new ATOM 1667 N ASP A 105 15.273 -1.640 -9.774 1.00 0.00 N ATOM 1668 CA ASP A 105 16.495 -2.414 -9.451 1.00 0.00 C ATOM 1669 C ASP A 105 16.144 -3.646 -8.582 1.00 0.00 C ATOM 1670 O ASP A 105 16.924 -4.603 -8.493 1.00 0.00 O ATOM 1671 CB ASP A 105 17.503 -1.489 -8.716 1.00 0.00 C ATOM 1672 CG ASP A 105 18.866 -2.144 -8.422 1.00 0.00 C ATOM 1673 OD1 ASP A 105 19.669 -2.309 -9.359 1.00 0.00 O ATOM 1674 OD2 ASP A 105 19.123 -2.529 -7.264 1.00 0.00 O ATOM 0 H ASP A 105 14.911 -1.109 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 105 16.949 -2.777 -10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 105 17.665 -0.596 -9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.059 -1.163 -7.775 1.00 0.00 H new ATOM 1679 N GLY A 106 14.950 -3.609 -7.954 1.00 0.00 N ATOM 1680 CA GLY A 106 14.489 -4.684 -7.063 1.00 0.00 C ATOM 1681 C GLY A 106 14.131 -5.980 -7.799 1.00 0.00 C ATOM 1682 O GLY A 106 13.695 -5.916 -8.946 1.00 0.00 O ATOM 0 H GLY A 106 14.287 -2.840 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.267 -4.896 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.616 -4.337 -6.510 1.00 0.00 H new ATOM 1686 N PRO A 107 14.332 -7.183 -7.171 1.00 0.00 N ATOM 1687 CA PRO A 107 14.027 -8.482 -7.818 1.00 0.00 C ATOM 1688 C PRO A 107 12.510 -8.804 -7.835 1.00 0.00 C ATOM 1689 O PRO A 107 11.830 -8.704 -6.810 1.00 0.00 O ATOM 1690 CB PRO A 107 14.817 -9.492 -6.946 1.00 0.00 C ATOM 1691 CG PRO A 107 14.832 -8.870 -5.576 1.00 0.00 C ATOM 1692 CD PRO A 107 14.893 -7.366 -5.797 1.00 0.00 C ATOM 0 HA PRO A 107 14.307 -8.500 -8.871 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.334 -10.469 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.828 -9.640 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.940 -9.145 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.691 -9.215 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.308 -6.828 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.915 -6.993 -5.729 1.00 0.00 H new ATOM 1700 N GLY A 108 11.999 -9.152 -9.021 1.00 0.00 N ATOM 1701 CA GLY A 108 10.639 -9.670 -9.171 1.00 0.00 C ATOM 1702 C GLY A 108 10.370 -10.126 -10.599 1.00 0.00 C ATOM 1703 O GLY A 108 11.270 -10.024 -11.447 1.00 0.00 O ATOM 0 H GLY A 108 12.515 -9.082 -9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.489 -10.505 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.922 -8.898 -8.893 1.00 0.00 H new ATOM 1707 N PRO A 109 9.131 -10.635 -10.920 1.00 0.00 N ATOM 1708 CA PRO A 109 8.745 -11.022 -12.306 1.00 0.00 C ATOM 1709 C PRO A 109 8.769 -9.806 -13.251 1.00 0.00 C ATOM 1710 O PRO A 109 9.122 -9.911 -14.424 1.00 0.00 O ATOM 1711 CB PRO A 109 7.298 -11.592 -12.148 1.00 0.00 C ATOM 1712 CG PRO A 109 7.176 -11.912 -10.687 1.00 0.00 C ATOM 1713 CD PRO A 109 8.015 -10.875 -9.972 1.00 0.00 C ATOM 0 HA PRO A 109 9.432 -11.744 -12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.549 -10.864 -12.458 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.152 -12.481 -12.762 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.137 -11.868 -10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.534 -12.920 -10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.449 -9.964 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.374 -11.240 -9.010 1.00 0.00 H new ATOM 1721 N ASN A 110 8.356 -8.661 -12.696 1.00 0.00 N ATOM 1722 CA ASN A 110 8.381 -7.349 -13.366 1.00 0.00 C ATOM 1723 C ASN A 110 9.732 -6.644 -13.159 1.00 0.00 C ATOM 1724 O ASN A 110 10.164 -5.849 -14.002 1.00 0.00 O ATOM 1725 CB ASN A 110 7.214 -6.472 -12.836 1.00 0.00 C ATOM 1726 CG ASN A 110 7.219 -6.218 -11.320 1.00 0.00 C ATOM 1727 OD1 ASN A 110 7.794 -6.978 -10.536 1.00 0.00 O ATOM 1728 ND2 ASN A 110 6.536 -5.167 -10.901 1.00 0.00 N ATOM 0 H ASN A 110 7.986 -8.616 -11.747 1.00 0.00 H new ATOM 0 HA ASN A 110 8.254 -7.502 -14.438 1.00 0.00 H new ATOM 0 HB2 ASN A 110 7.242 -5.511 -13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 110 6.272 -6.949 -13.105 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.473 -4.964 -9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 110 6.072 -4.558 -11.575 1.00 0.00 H new ATOM 1735 N GLY A 111 10.373 -6.929 -12.014 1.00 0.00 N ATOM 1736 CA GLY A 111 11.685 -6.372 -11.681 1.00 0.00 C ATOM 1737 C GLY A 111 11.589 -5.017 -10.995 1.00 0.00 C ATOM 1738 O GLY A 111 12.448 -4.149 -11.195 1.00 0.00 O ATOM 0 H GLY A 111 9.994 -7.550 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.216 -7.067 -11.031 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.275 -6.273 -12.592 1.00 0.00 H new ATOM 1742 N LEU A 112 10.535 -4.842 -10.181 1.00 0.00 N ATOM 1743 CA LEU A 112 10.316 -3.628 -9.368 1.00 0.00 C ATOM 1744 C LEU A 112 10.462 -3.955 -7.873 1.00 0.00 C ATOM 1745 O LEU A 112 10.318 -5.116 -7.463 1.00 0.00 O ATOM 1746 CB LEU A 112 8.918 -3.020 -9.669 1.00 0.00 C ATOM 1747 CG LEU A 112 8.718 -2.481 -11.124 1.00 0.00 C ATOM 1748 CD1 LEU A 112 7.269 -2.019 -11.362 1.00 0.00 C ATOM 1749 CD2 LEU A 112 9.721 -1.356 -11.452 1.00 0.00 C ATOM 0 H LEU A 112 9.803 -5.543 -10.066 1.00 0.00 H new ATOM 0 HA LEU A 112 11.072 -2.888 -9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.161 -3.780 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.738 -2.204 -8.970 1.00 0.00 H new ATOM 0 HG LEU A 112 8.915 -3.309 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.167 -1.651 -12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.590 -2.858 -11.209 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.022 -1.220 -10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.554 -1.005 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.581 -0.529 -10.756 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.738 -1.738 -11.362 1.00 0.00 H new ATOM 1761 N ARG A 113 10.724 -2.912 -7.067 1.00 0.00 N ATOM 1762 CA ARG A 113 10.819 -3.020 -5.600 1.00 0.00 C ATOM 1763 C ARG A 113 9.782 -2.084 -5.000 1.00 0.00 C ATOM 1764 O ARG A 113 9.948 -0.858 -5.023 1.00 0.00 O ATOM 1765 CB ARG A 113 12.226 -2.654 -5.057 1.00 0.00 C ATOM 1766 CG ARG A 113 12.357 -2.840 -3.524 1.00 0.00 C ATOM 1767 CD ARG A 113 13.738 -2.457 -2.971 1.00 0.00 C ATOM 1768 NE ARG A 113 13.783 -2.588 -1.501 1.00 0.00 N ATOM 1769 CZ ARG A 113 14.621 -1.933 -0.689 1.00 0.00 C ATOM 1770 NH1 ARG A 113 15.544 -1.108 -1.170 1.00 0.00 N ATOM 1771 NH2 ARG A 113 14.530 -2.112 0.611 1.00 0.00 N ATOM 0 H ARG A 113 10.877 -1.966 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 113 10.639 -4.058 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 113 12.973 -3.271 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.448 -1.617 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.597 -2.237 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 113 12.151 -3.881 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 113 14.501 -3.094 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.974 -1.431 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 113 13.120 -3.231 -1.068 1.00 0.00 H new ATOM 0 HH11 ARG A 113 15.624 -0.964 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 113 16.173 -0.619 -0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.826 -2.745 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 113 15.164 -1.618 1.239 1.00 0.00 H new ATOM 1785 N TYR A 114 8.724 -2.673 -4.459 1.00 0.00 N ATOM 1786 CA TYR A 114 7.540 -1.950 -4.013 1.00 0.00 C ATOM 1787 C TYR A 114 7.772 -1.259 -2.671 1.00 0.00 C ATOM 1788 O TYR A 114 8.022 -1.913 -1.670 1.00 0.00 O ATOM 1789 CB TYR A 114 6.348 -2.919 -3.984 1.00 0.00 C ATOM 1790 CG TYR A 114 5.840 -3.287 -5.390 1.00 0.00 C ATOM 1791 CD1 TYR A 114 6.521 -4.208 -6.191 1.00 0.00 C ATOM 1792 CD2 TYR A 114 4.715 -2.665 -5.929 1.00 0.00 C ATOM 1793 CE1 TYR A 114 6.089 -4.498 -7.472 1.00 0.00 C ATOM 1794 CE2 TYR A 114 4.289 -2.942 -7.205 1.00 0.00 C ATOM 1795 CZ TYR A 114 4.973 -3.858 -7.976 1.00 0.00 C ATOM 1796 OH TYR A 114 4.545 -4.125 -9.253 1.00 0.00 O ATOM 0 H TYR A 114 8.663 -3.681 -4.315 1.00 0.00 H new ATOM 0 HA TYR A 114 7.316 -1.148 -4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 114 6.639 -3.829 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 114 5.534 -2.469 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.400 -4.702 -5.803 1.00 0.00 H new ATOM 0 HD2 TYR A 114 4.168 -1.951 -5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.620 -5.220 -8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.419 -2.443 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 114 3.729 -3.615 -9.438 1.00 0.00 H new ATOM 1806 N CYS A 115 7.748 0.086 -2.689 1.00 0.00 N ATOM 1807 CA CYS A 115 7.931 0.914 -1.500 1.00 0.00 C ATOM 1808 C CYS A 115 6.670 1.776 -1.298 1.00 0.00 C ATOM 1809 O CYS A 115 6.497 2.826 -1.937 1.00 0.00 O ATOM 1810 CB CYS A 115 9.199 1.773 -1.693 1.00 0.00 C ATOM 1811 SG CYS A 115 10.650 0.800 -2.162 1.00 0.00 S ATOM 0 H CYS A 115 7.599 0.626 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 115 8.066 0.306 -0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 115 9.009 2.524 -2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.412 2.309 -0.768 1.00 0.00 H new ATOM 0 HG CYS A 115 10.394 0.135 -3.249 1.00 0.00 H new ATOM 1817 N ILE A 116 5.784 1.294 -0.416 1.00 0.00 N ATOM 1818 CA ILE A 116 4.475 1.921 -0.130 1.00 0.00 C ATOM 1819 C ILE A 116 4.571 2.677 1.193 1.00 0.00 C ATOM 1820 O ILE A 116 5.245 2.206 2.115 1.00 0.00 O ATOM 1821 CB ILE A 116 3.327 0.833 -0.059 1.00 0.00 C ATOM 1822 CG1 ILE A 116 3.345 -0.076 -1.326 1.00 0.00 C ATOM 1823 CG2 ILE A 116 1.926 1.470 0.126 1.00 0.00 C ATOM 1824 CD1 ILE A 116 3.191 0.652 -2.641 1.00 0.00 C ATOM 0 H ILE A 116 5.953 0.448 0.128 1.00 0.00 H new ATOM 0 HA ILE A 116 4.225 2.612 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 116 3.526 0.220 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.284 -0.630 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.544 -0.810 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.172 0.684 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 116 1.906 2.043 1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.713 2.131 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.216 -0.067 -3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.239 1.183 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.006 1.366 -2.759 1.00 0.00 H new ATOM 1836 N ASN A 117 3.893 3.842 1.283 1.00 0.00 N ATOM 1837 CA ASN A 117 3.911 4.689 2.471 1.00 0.00 C ATOM 1838 C ASN A 117 3.400 3.898 3.696 1.00 0.00 C ATOM 1839 O ASN A 117 2.217 3.551 3.773 1.00 0.00 O ATOM 1840 CB ASN A 117 3.063 5.958 2.220 1.00 0.00 C ATOM 1841 CG ASN A 117 3.622 6.835 1.085 1.00 0.00 C ATOM 1842 OD1 ASN A 117 4.568 7.593 1.285 1.00 0.00 O ATOM 1843 ND2 ASN A 117 3.013 6.775 -0.088 1.00 0.00 N ATOM 0 H ASN A 117 3.319 4.213 0.525 1.00 0.00 H new ATOM 0 HA ASN A 117 4.934 5.001 2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.042 5.665 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.016 6.545 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.326 7.368 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.230 6.136 -0.224 1.00 0.00 H new ATOM 1850 N SER A 118 4.337 3.596 4.615 1.00 0.00 N ATOM 1851 CA SER A 118 4.114 2.750 5.805 1.00 0.00 C ATOM 1852 C SER A 118 2.995 3.297 6.707 1.00 0.00 C ATOM 1853 O SER A 118 2.218 2.526 7.291 1.00 0.00 O ATOM 1854 CB SER A 118 5.432 2.673 6.590 1.00 0.00 C ATOM 1855 OG SER A 118 6.508 2.345 5.741 1.00 0.00 O ATOM 0 H SER A 118 5.294 3.942 4.549 1.00 0.00 H new ATOM 0 HA SER A 118 3.797 1.760 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 118 5.626 3.629 7.076 1.00 0.00 H new ATOM 0 HB3 SER A 118 5.346 1.926 7.379 1.00 0.00 H new ATOM 0 HG SER A 118 7.020 1.607 6.132 1.00 0.00 H new ATOM 1861 N ALA A 119 2.945 4.637 6.791 1.00 0.00 N ATOM 1862 CA ALA A 119 1.932 5.379 7.565 1.00 0.00 C ATOM 1863 C ALA A 119 0.508 5.100 7.064 1.00 0.00 C ATOM 1864 O ALA A 119 -0.443 5.040 7.859 1.00 0.00 O ATOM 1865 CB ALA A 119 2.210 6.879 7.464 1.00 0.00 C ATOM 0 H ALA A 119 3.615 5.244 6.318 1.00 0.00 H new ATOM 0 HA ALA A 119 1.999 5.044 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.461 7.427 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.201 7.093 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.166 7.188 6.420 1.00 0.00 H new ATOM 1871 N ALA A 120 0.393 4.915 5.733 1.00 0.00 N ATOM 1872 CA ALA A 120 -0.900 4.789 5.053 1.00 0.00 C ATOM 1873 C ALA A 120 -1.592 3.470 5.416 1.00 0.00 C ATOM 1874 O ALA A 120 -2.811 3.397 5.494 1.00 0.00 O ATOM 1875 CB ALA A 120 -0.737 4.928 3.530 1.00 0.00 C ATOM 0 H ALA A 120 1.195 4.850 5.106 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.538 5.603 5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -1.711 4.831 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -0.313 5.905 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.071 4.147 3.163 1.00 0.00 H new ATOM 1881 N LEU A 121 -0.777 2.459 5.727 1.00 0.00 N ATOM 1882 CA LEU A 121 -1.200 1.062 5.715 1.00 0.00 C ATOM 1883 C LEU A 121 -1.679 0.562 7.076 1.00 0.00 C ATOM 1884 O LEU A 121 -1.353 1.114 8.132 1.00 0.00 O ATOM 1885 CB LEU A 121 -0.040 0.189 5.197 1.00 0.00 C ATOM 1886 CG LEU A 121 0.526 0.620 3.813 1.00 0.00 C ATOM 1887 CD1 LEU A 121 1.672 -0.287 3.375 1.00 0.00 C ATOM 1888 CD2 LEU A 121 -0.586 0.696 2.749 1.00 0.00 C ATOM 0 H LEU A 121 0.198 2.590 5.995 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.060 0.987 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.768 0.210 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -0.382 -0.844 5.130 1.00 0.00 H new ATOM 0 HG LEU A 121 0.935 1.625 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 121 2.045 0.041 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.476 -0.237 4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.314 -1.314 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.156 1.000 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.054 -0.283 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.336 1.425 3.058 1.00 0.00 H new ATOM 1900 N ARG A 122 -2.460 -0.505 6.985 1.00 0.00 N ATOM 1901 CA ARG A 122 -3.069 -1.222 8.099 1.00 0.00 C ATOM 1902 C ARG A 122 -3.158 -2.702 7.723 1.00 0.00 C ATOM 1903 O ARG A 122 -3.724 -3.029 6.676 1.00 0.00 O ATOM 1904 CB ARG A 122 -4.487 -0.648 8.336 1.00 0.00 C ATOM 1905 CG ARG A 122 -5.383 -1.426 9.320 1.00 0.00 C ATOM 1906 CD ARG A 122 -6.813 -0.856 9.382 1.00 0.00 C ATOM 1907 NE ARG A 122 -7.709 -1.765 10.113 1.00 0.00 N ATOM 1908 CZ ARG A 122 -8.826 -2.312 9.621 1.00 0.00 C ATOM 1909 NH1 ARG A 122 -9.322 -1.947 8.443 1.00 0.00 N ATOM 1910 NH2 ARG A 122 -9.448 -3.229 10.309 1.00 0.00 N ATOM 0 H ARG A 122 -2.699 -0.917 6.083 1.00 0.00 H new ATOM 0 HA ARG A 122 -2.478 -1.111 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -4.386 0.374 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -4.999 -0.595 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -5.424 -2.473 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.938 -1.396 10.315 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -6.800 0.118 9.870 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -7.191 -0.701 8.372 1.00 0.00 H new ATOM 0 HE ARG A 122 -7.458 -1.997 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -8.849 -1.233 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.176 -2.381 8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.082 -3.523 11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.301 -3.652 9.942 1.00 0.00 H new ATOM 1924 N PHE A 123 -2.589 -3.587 8.563 1.00 0.00 N ATOM 1925 CA PHE A 123 -2.755 -5.039 8.401 1.00 0.00 C ATOM 1926 C PHE A 123 -4.120 -5.409 9.004 1.00 0.00 C ATOM 1927 O PHE A 123 -4.479 -4.922 10.090 1.00 0.00 O ATOM 1928 CB PHE A 123 -1.581 -5.857 9.057 1.00 0.00 C ATOM 1929 CG PHE A 123 -1.709 -6.115 10.571 1.00 0.00 C ATOM 1930 CD1 PHE A 123 -1.488 -5.097 11.500 1.00 0.00 C ATOM 1931 CD2 PHE A 123 -2.093 -7.373 11.061 1.00 0.00 C ATOM 1932 CE1 PHE A 123 -1.647 -5.322 12.855 1.00 0.00 C ATOM 1933 CE2 PHE A 123 -2.241 -7.593 12.417 1.00 0.00 C ATOM 1934 CZ PHE A 123 -2.022 -6.569 13.311 1.00 0.00 C ATOM 0 H PHE A 123 -2.011 -3.319 9.360 1.00 0.00 H new ATOM 0 HA PHE A 123 -2.721 -5.300 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.505 -6.818 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -0.647 -5.325 8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.188 -4.118 11.155 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -2.275 -8.181 10.368 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.477 -4.520 13.558 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -2.529 -8.570 12.776 1.00 0.00 H new ATOM 0 HZ PHE A 123 -2.144 -6.742 14.370 1.00 0.00 H new ATOM 1944 N VAL A 124 -4.904 -6.217 8.284 1.00 0.00 N ATOM 1945 CA VAL A 124 -6.248 -6.615 8.729 1.00 0.00 C ATOM 1946 C VAL A 124 -6.365 -8.143 8.611 1.00 0.00 C ATOM 1947 O VAL A 124 -6.489 -8.645 7.483 1.00 0.00 O ATOM 1948 CB VAL A 124 -7.397 -5.928 7.890 1.00 0.00 C ATOM 1949 CG1 VAL A 124 -8.757 -6.043 8.635 1.00 0.00 C ATOM 1950 CG2 VAL A 124 -7.063 -4.462 7.525 1.00 0.00 C ATOM 0 H VAL A 124 -4.631 -6.612 7.384 1.00 0.00 H new ATOM 0 HA VAL A 124 -6.373 -6.288 9.761 1.00 0.00 H new ATOM 0 HB VAL A 124 -7.481 -6.464 6.944 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -9.538 -5.565 8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -9.005 -7.095 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -8.684 -5.550 9.605 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -7.884 -4.034 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -6.920 -3.883 8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -6.149 -4.434 6.931 1.00 0.00 H new ATOM 1960 N PRO A 125 -6.250 -8.907 9.750 1.00 0.00 N ATOM 1961 CA PRO A 125 -6.416 -10.391 9.769 1.00 0.00 C ATOM 1962 C PRO A 125 -7.667 -10.872 9.007 1.00 0.00 C ATOM 1963 O PRO A 125 -8.673 -10.184 9.023 1.00 0.00 O ATOM 1964 CB PRO A 125 -6.546 -10.689 11.282 1.00 0.00 C ATOM 1965 CG PRO A 125 -5.695 -9.646 11.928 1.00 0.00 C ATOM 1966 CD PRO A 125 -5.919 -8.388 11.113 1.00 0.00 C ATOM 0 HA PRO A 125 -5.592 -10.905 9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -7.582 -10.622 11.615 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -6.198 -11.694 11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.979 -9.496 12.970 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.644 -9.936 11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -6.731 -7.785 11.521 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.030 -7.757 11.097 1.00 0.00 H new ATOM 1974 N LYS A 126 -7.596 -12.056 8.357 1.00 0.00 N ATOM 1975 CA LYS A 126 -8.735 -12.610 7.575 1.00 0.00 C ATOM 1976 C LYS A 126 -9.967 -12.929 8.459 1.00 0.00 C ATOM 1977 O LYS A 126 -11.089 -13.057 7.953 1.00 0.00 O ATOM 1978 CB LYS A 126 -8.278 -13.818 6.696 1.00 0.00 C ATOM 1979 CG LYS A 126 -7.649 -15.041 7.427 1.00 0.00 C ATOM 1980 CD LYS A 126 -8.687 -16.002 8.055 1.00 0.00 C ATOM 1981 CE LYS A 126 -8.058 -17.299 8.584 1.00 0.00 C ATOM 1982 NZ LYS A 126 -7.068 -17.044 9.654 1.00 0.00 N ATOM 0 H LYS A 126 -6.766 -12.648 8.356 1.00 0.00 H new ATOM 0 HA LYS A 126 -9.072 -11.831 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -9.142 -14.170 6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -7.553 -13.451 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -7.035 -15.598 6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -6.983 -14.680 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -9.198 -15.493 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.443 -16.249 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -8.843 -17.952 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -7.575 -17.828 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -6.783 -17.946 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.233 -16.574 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -7.492 -16.432 10.380 1.00 0.00 H new ATOM 1996 N HIS A 127 -9.729 -13.025 9.780 1.00 0.00 N ATOM 1997 CA HIS A 127 -10.784 -13.202 10.795 1.00 0.00 C ATOM 1998 C HIS A 127 -11.435 -11.830 11.129 1.00 0.00 C ATOM 1999 O HIS A 127 -12.623 -11.757 11.469 1.00 0.00 O ATOM 2000 CB HIS A 127 -10.171 -13.870 12.055 1.00 0.00 C ATOM 2001 CG HIS A 127 -11.176 -14.290 13.091 1.00 0.00 C ATOM 2002 ND1 HIS A 127 -11.805 -15.515 13.071 1.00 0.00 N ATOM 2003 CD2 HIS A 127 -11.650 -13.644 14.185 1.00 0.00 C ATOM 2004 CE1 HIS A 127 -12.628 -15.601 14.094 1.00 0.00 C ATOM 2005 NE2 HIS A 127 -12.550 -14.482 14.788 1.00 0.00 N ATOM 0 H HIS A 127 -8.790 -12.981 10.177 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.570 -13.852 10.411 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -9.601 -14.746 11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -9.466 -13.176 12.512 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -11.371 -12.655 14.518 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -13.260 -16.445 14.326 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -13.075 -14.274 15.637 1.00 0.00 H new ATOM 2014 N LYS A 128 -10.648 -10.749 10.980 1.00 0.00 N ATOM 2015 CA LYS A 128 -11.088 -9.367 11.258 1.00 0.00 C ATOM 2016 C LYS A 128 -11.771 -8.794 10.008 1.00 0.00 C ATOM 2017 O LYS A 128 -12.689 -7.972 10.105 1.00 0.00 O ATOM 2018 CB LYS A 128 -9.865 -8.491 11.642 1.00 0.00 C ATOM 2019 CG LYS A 128 -10.215 -7.056 12.081 1.00 0.00 C ATOM 2020 CD LYS A 128 -10.972 -7.009 13.431 1.00 0.00 C ATOM 2021 CE LYS A 128 -11.462 -5.597 13.775 1.00 0.00 C ATOM 2022 NZ LYS A 128 -12.553 -5.148 12.863 1.00 0.00 N ATOM 0 H LYS A 128 -9.681 -10.809 10.661 1.00 0.00 H new ATOM 0 HA LYS A 128 -11.793 -9.369 12.089 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -9.323 -8.982 12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -9.189 -8.441 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -9.298 -6.472 12.163 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -10.825 -6.584 11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.824 -7.687 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -10.317 -7.367 14.225 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -11.819 -5.578 14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -10.628 -4.898 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -12.867 -4.196 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -12.200 -5.125 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -13.353 -5.809 12.927 1.00 0.00 H new ATOM 2036 N LEU A 129 -11.323 -9.293 8.845 1.00 0.00 N ATOM 2037 CA LEU A 129 -11.820 -8.901 7.531 1.00 0.00 C ATOM 2038 C LEU A 129 -13.305 -9.287 7.399 1.00 0.00 C ATOM 2039 O LEU A 129 -14.123 -8.499 6.949 1.00 0.00 O ATOM 2040 CB LEU A 129 -11.008 -9.621 6.422 1.00 0.00 C ATOM 2041 CG LEU A 129 -9.560 -9.140 6.127 1.00 0.00 C ATOM 2042 CD1 LEU A 129 -8.859 -10.028 5.069 1.00 0.00 C ATOM 2043 CD2 LEU A 129 -9.567 -7.685 5.687 1.00 0.00 C ATOM 0 H LEU A 129 -10.587 -9.997 8.799 1.00 0.00 H new ATOM 0 HA LEU A 129 -11.710 -7.822 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -10.959 -10.678 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.576 -9.547 5.495 1.00 0.00 H new ATOM 0 HG LEU A 129 -8.989 -9.228 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.850 -9.656 4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -8.810 -11.055 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.424 -9.999 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.546 -7.361 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -10.167 -7.581 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.993 -7.068 6.478 1.00 0.00 H new ATOM 2055 N LYS A 130 -13.641 -10.489 7.884 1.00 0.00 N ATOM 2056 CA LYS A 130 -14.991 -11.071 7.796 1.00 0.00 C ATOM 2057 C LYS A 130 -15.936 -10.320 8.748 1.00 0.00 C ATOM 2058 O LYS A 130 -17.139 -10.221 8.488 1.00 0.00 O ATOM 2059 CB LYS A 130 -14.928 -12.594 8.156 1.00 0.00 C ATOM 2060 CG LYS A 130 -16.291 -13.338 8.379 1.00 0.00 C ATOM 2061 CD LYS A 130 -17.055 -13.768 7.084 1.00 0.00 C ATOM 2062 CE LYS A 130 -17.762 -12.620 6.327 1.00 0.00 C ATOM 2063 NZ LYS A 130 -18.541 -13.117 5.163 1.00 0.00 N ATOM 0 H LYS A 130 -12.972 -11.097 8.357 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.373 -10.972 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.390 -13.107 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -14.333 -12.702 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.103 -14.228 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -16.944 -12.691 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -16.349 -14.248 6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -17.799 -14.518 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -18.428 -12.092 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -17.019 -11.900 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -19.181 -12.369 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -17.889 -13.383 4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.098 -13.948 5.447 1.00 0.00 H new ATOM 2077 N GLU A 131 -15.359 -9.718 9.812 1.00 0.00 N ATOM 2078 CA GLU A 131 -16.132 -8.988 10.812 1.00 0.00 C ATOM 2079 C GLU A 131 -16.628 -7.675 10.188 1.00 0.00 C ATOM 2080 O GLU A 131 -17.817 -7.353 10.271 1.00 0.00 O ATOM 2081 CB GLU A 131 -15.276 -8.693 12.072 1.00 0.00 C ATOM 2082 CG GLU A 131 -16.027 -7.886 13.147 1.00 0.00 C ATOM 2083 CD GLU A 131 -15.162 -7.546 14.366 1.00 0.00 C ATOM 2084 OE1 GLU A 131 -14.984 -8.421 15.235 1.00 0.00 O ATOM 2085 OE2 GLU A 131 -14.654 -6.408 14.455 1.00 0.00 O ATOM 0 H GLU A 131 -14.355 -9.730 9.991 1.00 0.00 H new ATOM 0 HA GLU A 131 -16.980 -9.597 11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -14.942 -9.636 12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -14.382 -8.144 11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.398 -6.962 12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.898 -8.454 13.475 1.00 0.00 H new ATOM 2092 N GLU A 132 -15.704 -6.950 9.517 1.00 0.00 N ATOM 2093 CA GLU A 132 -15.994 -5.616 8.936 1.00 0.00 C ATOM 2094 C GLU A 132 -16.486 -5.714 7.472 1.00 0.00 C ATOM 2095 O GLU A 132 -16.439 -4.721 6.729 1.00 0.00 O ATOM 2096 CB GLU A 132 -14.731 -4.721 9.073 1.00 0.00 C ATOM 2097 CG GLU A 132 -13.459 -5.302 8.427 1.00 0.00 C ATOM 2098 CD GLU A 132 -12.186 -4.590 8.884 1.00 0.00 C ATOM 2099 OE1 GLU A 132 -11.808 -4.771 10.060 1.00 0.00 O ATOM 2100 OE2 GLU A 132 -11.568 -3.848 8.098 1.00 0.00 O ATOM 0 H GLU A 132 -14.747 -7.267 9.363 1.00 0.00 H new ATOM 0 HA GLU A 132 -16.813 -5.157 9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -14.940 -3.750 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -14.538 -4.548 10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.385 -6.362 8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.542 -5.229 7.343 1.00 0.00 H new ATOM 2107 N GLY A 133 -17.005 -6.906 7.081 1.00 0.00 N ATOM 2108 CA GLY A 133 -17.641 -7.108 5.775 1.00 0.00 C ATOM 2109 C GLY A 133 -16.714 -6.908 4.584 1.00 0.00 C ATOM 2110 O GLY A 133 -17.165 -6.497 3.518 1.00 0.00 O ATOM 0 H GLY A 133 -16.990 -7.742 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -18.049 -8.118 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -18.482 -6.421 5.684 1.00 0.00 H new ATOM 2114 N TYR A 134 -15.419 -7.223 4.759 1.00 0.00 N ATOM 2115 CA TYR A 134 -14.404 -7.112 3.692 1.00 0.00 C ATOM 2116 C TYR A 134 -14.378 -8.400 2.835 1.00 0.00 C ATOM 2117 O TYR A 134 -13.336 -8.763 2.328 1.00 0.00 O ATOM 2118 CB TYR A 134 -12.992 -6.822 4.325 1.00 0.00 C ATOM 2119 CG TYR A 134 -12.634 -5.337 4.574 1.00 0.00 C ATOM 2120 CD1 TYR A 134 -13.605 -4.373 4.838 1.00 0.00 C ATOM 2121 CD2 TYR A 134 -11.303 -4.903 4.515 1.00 0.00 C ATOM 2122 CE1 TYR A 134 -13.265 -3.048 5.037 1.00 0.00 C ATOM 2123 CE2 TYR A 134 -10.961 -3.582 4.708 1.00 0.00 C ATOM 2124 CZ TYR A 134 -11.943 -2.658 4.968 1.00 0.00 C ATOM 2125 OH TYR A 134 -11.605 -1.338 5.162 1.00 0.00 O ATOM 0 H TYR A 134 -15.044 -7.562 5.645 1.00 0.00 H new ATOM 0 HA TYR A 134 -14.664 -6.281 3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -12.930 -7.351 5.276 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -12.232 -7.250 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -14.643 -4.667 4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -10.524 -5.623 4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -14.033 -2.319 5.246 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -9.927 -3.275 4.655 1.00 0.00 H new ATOM 0 HH TYR A 134 -10.634 -1.234 5.081 1.00 0.00 H new ATOM 2135 N GLU A 135 -15.558 -9.004 2.604 1.00 0.00 N ATOM 2136 CA GLU A 135 -15.727 -10.362 2.012 1.00 0.00 C ATOM 2137 C GLU A 135 -15.010 -10.538 0.653 1.00 0.00 C ATOM 2138 O GLU A 135 -14.469 -11.612 0.365 1.00 0.00 O ATOM 2139 CB GLU A 135 -17.236 -10.647 1.841 1.00 0.00 C ATOM 2140 CG GLU A 135 -18.068 -10.396 3.109 1.00 0.00 C ATOM 2141 CD GLU A 135 -19.572 -10.508 2.849 1.00 0.00 C ATOM 2142 OE1 GLU A 135 -20.124 -9.610 2.182 1.00 0.00 O ATOM 2143 OE2 GLU A 135 -20.199 -11.493 3.288 1.00 0.00 O ATOM 0 H GLU A 135 -16.448 -8.558 2.826 1.00 0.00 H new ATOM 0 HA GLU A 135 -15.264 -11.071 2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -17.624 -10.024 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -17.367 -11.684 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -17.780 -11.113 3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -17.842 -9.403 3.499 1.00 0.00 H new ATOM 2150 N SER A 136 -14.967 -9.454 -0.141 1.00 0.00 N ATOM 2151 CA SER A 136 -14.416 -9.461 -1.514 1.00 0.00 C ATOM 2152 C SER A 136 -12.871 -9.381 -1.471 1.00 0.00 C ATOM 2153 O SER A 136 -12.182 -9.758 -2.420 1.00 0.00 O ATOM 2154 CB SER A 136 -15.016 -8.265 -2.295 1.00 0.00 C ATOM 2155 OG SER A 136 -14.559 -8.218 -3.631 1.00 0.00 O ATOM 0 H SER A 136 -15.315 -8.541 0.151 1.00 0.00 H new ATOM 0 HA SER A 136 -14.683 -10.389 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.104 -8.337 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 136 -14.754 -7.335 -1.790 1.00 0.00 H new ATOM 0 HG SER A 136 -14.962 -7.451 -4.088 1.00 0.00 H new ATOM 2161 N TYR A 137 -12.353 -8.910 -0.335 1.00 0.00 N ATOM 2162 CA TYR A 137 -10.913 -8.734 -0.091 1.00 0.00 C ATOM 2163 C TYR A 137 -10.287 -10.103 0.263 1.00 0.00 C ATOM 2164 O TYR A 137 -9.135 -10.380 -0.092 1.00 0.00 O ATOM 2165 CB TYR A 137 -10.681 -7.727 1.073 1.00 0.00 C ATOM 2166 CG TYR A 137 -11.298 -6.316 0.924 1.00 0.00 C ATOM 2167 CD1 TYR A 137 -12.659 -6.132 0.658 1.00 0.00 C ATOM 2168 CD2 TYR A 137 -10.528 -5.168 1.105 1.00 0.00 C ATOM 2169 CE1 TYR A 137 -13.218 -4.881 0.574 1.00 0.00 C ATOM 2170 CE2 TYR A 137 -11.091 -3.908 1.030 1.00 0.00 C ATOM 2171 CZ TYR A 137 -12.433 -3.772 0.764 1.00 0.00 C ATOM 2172 OH TYR A 137 -12.997 -2.522 0.706 1.00 0.00 O ATOM 0 H TYR A 137 -12.931 -8.634 0.459 1.00 0.00 H new ATOM 0 HA TYR A 137 -10.442 -8.337 -0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -11.074 -8.172 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -9.606 -7.612 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -13.288 -6.998 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -9.472 -5.265 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -14.271 -4.770 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -10.478 -3.032 1.180 1.00 0.00 H new ATOM 0 HH TYR A 137 -12.335 -1.852 0.975 1.00 0.00 H new ATOM 2182 N LEU A 138 -11.079 -10.960 0.963 1.00 0.00 N ATOM 2183 CA LEU A 138 -10.673 -12.353 1.319 1.00 0.00 C ATOM 2184 C LEU A 138 -10.541 -13.193 0.052 1.00 0.00 C ATOM 2185 O LEU A 138 -9.753 -14.121 0.021 1.00 0.00 O ATOM 2186 CB LEU A 138 -11.692 -13.076 2.268 1.00 0.00 C ATOM 2187 CG LEU A 138 -11.829 -12.550 3.725 1.00 0.00 C ATOM 2188 CD1 LEU A 138 -12.307 -11.113 3.735 1.00 0.00 C ATOM 2189 CD2 LEU A 138 -12.769 -13.428 4.573 1.00 0.00 C ATOM 0 H LEU A 138 -12.010 -10.710 1.295 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.723 -12.263 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -12.676 -13.028 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -11.414 -14.129 2.317 1.00 0.00 H new ATOM 0 HG LEU A 138 -10.837 -12.598 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -12.396 -10.766 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -11.591 -10.488 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -13.279 -11.049 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -12.834 -13.022 5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -13.761 -13.439 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -12.378 -14.445 4.615 1.00 0.00 H new ATOM 2201 N HIS A 139 -11.344 -12.839 -0.972 1.00 0.00 N ATOM 2202 CA HIS A 139 -11.374 -13.525 -2.283 1.00 0.00 C ATOM 2203 C HIS A 139 -10.002 -13.412 -2.996 1.00 0.00 C ATOM 2204 O HIS A 139 -9.605 -14.300 -3.746 1.00 0.00 O ATOM 2205 CB HIS A 139 -12.523 -12.923 -3.147 1.00 0.00 C ATOM 2206 CG HIS A 139 -12.970 -13.753 -4.329 1.00 0.00 C ATOM 2207 ND1 HIS A 139 -14.052 -13.408 -5.105 1.00 0.00 N ATOM 2208 CD2 HIS A 139 -12.508 -14.916 -4.847 1.00 0.00 C ATOM 2209 CE1 HIS A 139 -14.237 -14.316 -6.039 1.00 0.00 C ATOM 2210 NE2 HIS A 139 -13.310 -15.238 -5.908 1.00 0.00 N ATOM 0 H HIS A 139 -11.999 -12.059 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 139 -11.567 -14.587 -2.135 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -13.385 -12.753 -2.502 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -12.202 -11.948 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -11.662 -15.484 -4.489 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -15.017 -14.305 -6.786 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -13.205 -16.061 -6.501 1.00 0.00 H new ATOM 2219 N LEU A 140 -9.289 -12.313 -2.725 1.00 0.00 N ATOM 2220 CA LEU A 140 -7.933 -12.063 -3.255 1.00 0.00 C ATOM 2221 C LEU A 140 -6.893 -12.903 -2.486 1.00 0.00 C ATOM 2222 O LEU A 140 -5.987 -13.493 -3.076 1.00 0.00 O ATOM 2223 CB LEU A 140 -7.621 -10.551 -3.113 1.00 0.00 C ATOM 2224 CG LEU A 140 -8.648 -9.593 -3.797 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -8.409 -8.130 -3.381 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -8.642 -9.766 -5.337 1.00 0.00 C ATOM 0 H LEU A 140 -9.635 -11.562 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.886 -12.352 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -7.569 -10.305 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -6.634 -10.359 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.644 -9.868 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -9.139 -7.488 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -8.515 -8.037 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.404 -7.828 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -9.367 -9.085 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.648 -9.542 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -8.906 -10.793 -5.589 1.00 0.00 H new ATOM 2238 N PHE A 141 -7.071 -12.953 -1.159 1.00 0.00 N ATOM 2239 CA PHE A 141 -6.152 -13.624 -0.219 1.00 0.00 C ATOM 2240 C PHE A 141 -6.286 -15.170 -0.282 1.00 0.00 C ATOM 2241 O PHE A 141 -5.298 -15.901 -0.128 1.00 0.00 O ATOM 2242 CB PHE A 141 -6.471 -13.093 1.207 1.00 0.00 C ATOM 2243 CG PHE A 141 -5.658 -13.728 2.345 1.00 0.00 C ATOM 2244 CD1 PHE A 141 -4.304 -13.430 2.503 1.00 0.00 C ATOM 2245 CD2 PHE A 141 -6.246 -14.612 3.255 1.00 0.00 C ATOM 2246 CE1 PHE A 141 -3.568 -13.991 3.532 1.00 0.00 C ATOM 2247 CE2 PHE A 141 -5.505 -15.173 4.281 1.00 0.00 C ATOM 2248 CZ PHE A 141 -4.168 -14.861 4.416 1.00 0.00 C ATOM 0 H PHE A 141 -7.871 -12.521 -0.697 1.00 0.00 H new ATOM 0 HA PHE A 141 -5.120 -13.399 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -6.303 -12.016 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.530 -13.253 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.824 -12.752 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.292 -14.860 3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.522 -13.746 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.973 -15.855 4.975 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.590 -15.300 5.216 1.00 0.00 H new ATOM 2258 N ASN A 142 -7.515 -15.634 -0.540 1.00 0.00 N ATOM 2259 CA ASN A 142 -7.934 -17.040 -0.383 1.00 0.00 C ATOM 2260 C ASN A 142 -9.290 -17.237 -1.117 1.00 0.00 C ATOM 2261 O ASN A 142 -9.832 -16.286 -1.671 1.00 0.00 O ATOM 2262 CB ASN A 142 -8.067 -17.344 1.140 1.00 0.00 C ATOM 2263 CG ASN A 142 -8.422 -18.791 1.470 1.00 0.00 C ATOM 2264 OD1 ASN A 142 -7.911 -19.727 0.852 1.00 0.00 O ATOM 2265 ND2 ASN A 142 -9.353 -18.980 2.390 1.00 0.00 N ATOM 0 H ASN A 142 -8.267 -15.030 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 142 -7.204 -17.724 -0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -7.126 -17.093 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -8.831 -16.691 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -9.670 -19.925 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -9.754 -18.181 2.882 1.00 0.00 H new ATOM 2272 N LYS A 143 -9.814 -18.472 -1.176 1.00 0.00 N ATOM 2273 CA LYS A 143 -11.211 -18.732 -1.594 1.00 0.00 C ATOM 2274 C LYS A 143 -12.034 -19.129 -0.354 1.00 0.00 C ATOM 2275 O LYS A 143 -11.509 -19.778 0.562 1.00 0.00 O ATOM 2276 CB LYS A 143 -11.270 -19.799 -2.741 1.00 0.00 C ATOM 2277 CG LYS A 143 -10.580 -21.163 -2.461 1.00 0.00 C ATOM 2278 CD LYS A 143 -11.458 -22.171 -1.679 1.00 0.00 C ATOM 2279 CE LYS A 143 -10.726 -23.492 -1.414 1.00 0.00 C ATOM 2280 NZ LYS A 143 -10.307 -24.164 -2.675 1.00 0.00 N ATOM 0 H LYS A 143 -9.291 -19.315 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 143 -11.651 -17.828 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -12.317 -19.989 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -10.817 -19.365 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -10.290 -21.612 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.663 -20.985 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -11.760 -21.728 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -12.370 -22.369 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.848 -23.302 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -11.376 -24.159 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.971 -25.125 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -11.117 -24.217 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.541 -23.620 -3.120 1.00 0.00 H new ATOM 2294 N LEU A 144 -13.309 -18.717 -0.322 1.00 0.00 N ATOM 2295 CA LEU A 144 -14.216 -18.999 0.802 1.00 0.00 C ATOM 2296 C LEU A 144 -14.976 -20.304 0.556 1.00 0.00 C ATOM 2297 O LEU A 144 -15.533 -20.501 -0.530 1.00 0.00 O ATOM 2298 CB LEU A 144 -15.231 -17.837 0.999 1.00 0.00 C ATOM 2299 CG LEU A 144 -16.162 -17.958 2.252 1.00 0.00 C ATOM 2300 CD1 LEU A 144 -15.329 -17.883 3.545 1.00 0.00 C ATOM 2301 CD2 LEU A 144 -17.285 -16.898 2.238 1.00 0.00 C ATOM 0 H LEU A 144 -13.741 -18.179 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 144 -13.613 -19.096 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -14.676 -16.902 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -15.856 -17.770 0.109 1.00 0.00 H new ATOM 0 HG LEU A 144 -16.651 -18.931 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -15.989 -17.968 4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -14.605 -18.698 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -14.802 -16.929 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -17.908 -17.017 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -16.844 -15.901 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -17.896 -17.027 1.345 1.00 0.00 H new ATOM 2313 N GLU A 145 -15.009 -21.183 1.574 1.00 0.00 N ATOM 2314 CA GLU A 145 -15.793 -22.418 1.524 1.00 0.00 C ATOM 2315 C GLU A 145 -17.275 -22.084 1.835 1.00 0.00 C ATOM 2316 O GLU A 145 -17.720 -22.131 2.993 1.00 0.00 O ATOM 2317 CB GLU A 145 -15.222 -23.492 2.499 1.00 0.00 C ATOM 2318 CG GLU A 145 -15.979 -24.835 2.450 1.00 0.00 C ATOM 2319 CD GLU A 145 -15.393 -25.916 3.371 1.00 0.00 C ATOM 2320 OE1 GLU A 145 -15.410 -25.729 4.604 1.00 0.00 O ATOM 2321 OE2 GLU A 145 -14.942 -26.976 2.874 1.00 0.00 O ATOM 0 H GLU A 145 -14.495 -21.054 2.446 1.00 0.00 H new ATOM 0 HA GLU A 145 -15.730 -22.848 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -14.173 -23.667 2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -15.256 -23.102 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -17.020 -24.664 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -15.976 -25.205 1.425 1.00 0.00 H new ATOM 2328 N HIS A 146 -18.003 -21.670 0.782 1.00 0.00 N ATOM 2329 CA HIS A 146 -19.435 -21.328 0.856 1.00 0.00 C ATOM 2330 C HIS A 146 -20.266 -22.577 0.505 1.00 0.00 C ATOM 2331 O HIS A 146 -20.574 -22.827 -0.666 1.00 0.00 O ATOM 2332 CB HIS A 146 -19.745 -20.137 -0.100 1.00 0.00 C ATOM 2333 CG HIS A 146 -21.199 -19.722 -0.155 1.00 0.00 C ATOM 2334 ND1 HIS A 146 -21.757 -18.825 0.722 1.00 0.00 N ATOM 2335 CD2 HIS A 146 -22.193 -20.069 -1.010 1.00 0.00 C ATOM 2336 CE1 HIS A 146 -23.026 -18.642 0.419 1.00 0.00 C ATOM 2337 NE2 HIS A 146 -23.316 -19.383 -0.633 1.00 0.00 N ATOM 0 H HIS A 146 -17.610 -21.562 -0.153 1.00 0.00 H new ATOM 0 HA HIS A 146 -19.699 -21.013 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 146 -19.149 -19.278 0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 146 -19.421 -20.404 -1.106 1.00 0.00 H new ATOM 0 HD2 HIS A 146 -22.113 -20.760 -1.836 1.00 0.00 H new ATOM 0 HE1 HIS A 146 -23.713 -17.994 0.944 1.00 0.00 H new ATOM 0 HE2 HIS A 146 -24.226 -19.436 -1.090 1.00 0.00 H new ATOM 2346 N HIS A 147 -20.556 -23.391 1.529 1.00 0.00 N ATOM 2347 CA HIS A 147 -21.389 -24.598 1.396 1.00 0.00 C ATOM 2348 C HIS A 147 -22.873 -24.192 1.569 1.00 0.00 C ATOM 2349 O HIS A 147 -23.642 -24.247 0.592 1.00 0.00 O ATOM 2350 CB HIS A 147 -20.956 -25.672 2.441 1.00 0.00 C ATOM 2351 CG HIS A 147 -21.694 -26.987 2.321 1.00 0.00 C ATOM 2352 ND1 HIS A 147 -21.224 -28.048 1.576 1.00 0.00 N ATOM 2353 CD2 HIS A 147 -22.870 -27.407 2.854 1.00 0.00 C ATOM 2354 CE1 HIS A 147 -22.073 -29.052 1.651 1.00 0.00 C ATOM 2355 NE2 HIS A 147 -23.080 -28.690 2.420 1.00 0.00 N ATOM 0 H HIS A 147 -20.219 -23.232 2.478 1.00 0.00 H new ATOM 0 HA HIS A 147 -21.259 -25.043 0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -19.887 -25.857 2.334 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -21.111 -25.271 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -23.520 -26.836 3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -21.963 -30.010 1.165 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -23.885 -29.271 2.654 1.00 0.00 H new TER 2364 HIS A 147