USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 874 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 6 THR OG1 : rot -133:sc= 0.19 USER MOD Set 1.2: A 8 TYR OH : rot 93:sc= 0.198 USER MOD Single : A 1 GLU N :NH3+ 172:sc= 1.14 (180deg=1.11) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00921 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.075) USER MOD Single : A 19 ASN : amide:sc= 0.893 K(o=0.89,f=-6.2!) USER MOD Single : A 24 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.37) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.428 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 0.678 (180deg=0.414) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.04 K(o=1,f=-0.06) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.214 K(o=0.21,f=-7.7!) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.925 (180deg=0.925) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.566) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.363 K(o=0.36,f=-5!) USER MOD Single : A 77 ASN : amide:sc= 1.16 K(o=1.2,f=-0.33) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 87 LYS NZ :NH3+ 169:sc= 0.641 (180deg=0.57) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 1.1 (180deg=1.07) USER MOD Single : A 90 TYR OH : rot -146:sc= 0.0472 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -10:sc= 0.00115 USER MOD Single : A 97 SER OG : rot -103:sc= 1.24 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0787 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -12.929 -11.617 23.901 1.00 0.00 N ATOM 2 CA GLU A 1 -13.878 -12.016 22.829 1.00 0.00 C ATOM 3 C GLU A 1 -13.149 -12.787 21.723 1.00 0.00 C ATOM 4 O GLU A 1 -11.968 -12.546 21.468 1.00 0.00 O ATOM 5 CB GLU A 1 -14.628 -10.809 22.223 1.00 0.00 C ATOM 6 CG GLU A 1 -15.791 -10.282 23.081 1.00 0.00 C ATOM 7 CD GLU A 1 -15.331 -9.427 24.273 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.753 -9.997 25.229 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.525 -8.187 24.256 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.409 -10.983 24.571 1.00 0.00 H new ATOM 0 H2 GLU A 1 -12.597 -12.465 24.404 1.00 0.00 H new ATOM 0 H3 GLU A 1 -12.116 -11.124 23.479 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.622 -12.663 23.294 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.916 -9.999 22.062 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.015 -11.092 21.244 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.456 -9.689 22.453 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.371 -11.127 23.452 1.00 0.00 H new ATOM 18 N GLU A 2 -13.837 -13.725 21.065 1.00 0.00 N ATOM 19 CA GLU A 2 -13.307 -14.471 19.912 1.00 0.00 C ATOM 20 C GLU A 2 -12.967 -13.544 18.725 1.00 0.00 C ATOM 21 O GLU A 2 -13.718 -12.615 18.403 1.00 0.00 O ATOM 22 CB GLU A 2 -14.323 -15.554 19.505 1.00 0.00 C ATOM 23 CG GLU A 2 -13.829 -16.451 18.361 1.00 0.00 C ATOM 24 CD GLU A 2 -14.790 -17.635 18.132 1.00 0.00 C ATOM 25 OE1 GLU A 2 -15.777 -17.484 17.371 1.00 0.00 O ATOM 26 OE2 GLU A 2 -14.562 -18.728 18.706 1.00 0.00 O ATOM 0 H GLU A 2 -14.788 -13.993 21.318 1.00 0.00 H new ATOM 0 HA GLU A 2 -12.370 -14.944 20.205 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -14.549 -16.174 20.372 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.254 -15.074 19.205 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.744 -15.865 17.446 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.832 -16.827 18.593 1.00 0.00 H new ATOM 33 N LYS A 3 -11.842 -13.826 18.055 1.00 0.00 N ATOM 34 CA LYS A 3 -11.343 -13.126 16.858 1.00 0.00 C ATOM 35 C LYS A 3 -10.536 -14.077 15.966 1.00 0.00 C ATOM 36 O LYS A 3 -10.135 -15.158 16.402 1.00 0.00 O ATOM 37 CB LYS A 3 -10.523 -11.883 17.290 1.00 0.00 C ATOM 38 CG LYS A 3 -9.190 -12.201 18.002 1.00 0.00 C ATOM 39 CD LYS A 3 -7.969 -12.219 17.059 1.00 0.00 C ATOM 40 CE LYS A 3 -6.921 -13.267 17.463 1.00 0.00 C ATOM 41 NZ LYS A 3 -6.290 -12.968 18.776 1.00 0.00 N ATOM 0 H LYS A 3 -11.224 -14.584 18.344 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.186 -12.781 16.259 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -10.312 -11.280 16.407 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.136 -11.273 17.953 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.022 -11.462 18.785 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.273 -13.171 18.492 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.304 -12.420 16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.506 -11.232 17.053 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.392 -14.249 17.506 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.148 -13.317 16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.591 -13.705 19.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.816 -12.044 18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.021 -12.946 19.516 1.00 0.00 H new ATOM 55 N TYR A 4 -10.245 -13.644 14.742 1.00 0.00 N ATOM 56 CA TYR A 4 -9.399 -14.352 13.775 1.00 0.00 C ATOM 57 C TYR A 4 -8.452 -13.375 13.065 1.00 0.00 C ATOM 58 O TYR A 4 -8.804 -12.225 12.789 1.00 0.00 O ATOM 59 CB TYR A 4 -10.282 -15.126 12.777 1.00 0.00 C ATOM 60 CG TYR A 4 -11.458 -14.347 12.208 1.00 0.00 C ATOM 61 CD1 TYR A 4 -11.296 -13.534 11.068 1.00 0.00 C ATOM 62 CD2 TYR A 4 -12.717 -14.424 12.839 1.00 0.00 C ATOM 63 CE1 TYR A 4 -12.385 -12.794 10.567 1.00 0.00 C ATOM 64 CE2 TYR A 4 -13.807 -13.684 12.346 1.00 0.00 C ATOM 65 CZ TYR A 4 -13.643 -12.864 11.205 1.00 0.00 C ATOM 66 OH TYR A 4 -14.689 -12.141 10.718 1.00 0.00 O ATOM 0 H TYR A 4 -10.602 -12.760 14.380 1.00 0.00 H new ATOM 0 HA TYR A 4 -8.776 -15.074 14.303 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.657 -15.463 11.950 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.664 -16.019 13.272 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.335 -13.478 10.578 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.845 -15.055 13.706 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.258 -12.172 9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.767 -13.742 12.838 1.00 0.00 H new ATOM 0 HH TYR A 4 -15.483 -12.301 11.270 1.00 0.00 H new ATOM 76 N THR A 5 -7.227 -13.825 12.790 1.00 0.00 N ATOM 77 CA THR A 5 -6.213 -13.070 12.036 1.00 0.00 C ATOM 78 C THR A 5 -6.430 -13.185 10.523 1.00 0.00 C ATOM 79 O THR A 5 -7.092 -14.107 10.035 1.00 0.00 O ATOM 80 CB THR A 5 -4.794 -13.556 12.386 1.00 0.00 C ATOM 81 OG1 THR A 5 -4.704 -14.964 12.294 1.00 0.00 O ATOM 82 CG2 THR A 5 -4.407 -13.161 13.812 1.00 0.00 C ATOM 0 H THR A 5 -6.901 -14.744 13.090 1.00 0.00 H new ATOM 0 HA THR A 5 -6.318 -12.024 12.323 1.00 0.00 H new ATOM 0 HB THR A 5 -4.119 -13.085 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.794 -15.249 12.519 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.400 -13.519 14.028 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.435 -12.076 13.909 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.109 -13.607 14.516 1.00 0.00 H new ATOM 90 N THR A 6 -5.865 -12.244 9.760 1.00 0.00 N ATOM 91 CA THR A 6 -5.835 -12.313 8.290 1.00 0.00 C ATOM 92 C THR A 6 -4.708 -13.226 7.788 1.00 0.00 C ATOM 93 O THR A 6 -3.647 -13.314 8.411 1.00 0.00 O ATOM 94 CB THR A 6 -5.731 -10.911 7.685 1.00 0.00 C ATOM 95 OG1 THR A 6 -5.979 -11.053 6.315 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.380 -10.215 7.859 1.00 0.00 C ATOM 0 H THR A 6 -5.415 -11.412 10.141 1.00 0.00 H new ATOM 0 HA THR A 6 -6.774 -12.755 7.958 1.00 0.00 H new ATOM 0 HB THR A 6 -6.447 -10.280 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.296 -10.567 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.416 -9.230 7.394 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.160 -10.107 8.921 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.600 -10.811 7.386 1.00 0.00 H new ATOM 104 N LYS A 7 -4.929 -13.916 6.663 1.00 0.00 N ATOM 105 CA LYS A 7 -4.004 -14.896 6.072 1.00 0.00 C ATOM 106 C LYS A 7 -4.237 -15.052 4.566 1.00 0.00 C ATOM 107 O LYS A 7 -5.342 -15.374 4.133 1.00 0.00 O ATOM 108 CB LYS A 7 -4.082 -16.257 6.810 1.00 0.00 C ATOM 109 CG LYS A 7 -5.395 -16.652 7.529 1.00 0.00 C ATOM 110 CD LYS A 7 -6.661 -16.781 6.663 1.00 0.00 C ATOM 111 CE LYS A 7 -6.580 -17.859 5.571 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.567 -19.238 6.130 1.00 0.00 N ATOM 0 H LYS A 7 -5.785 -13.805 6.119 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.991 -14.514 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.858 -17.038 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.284 -16.274 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.231 -17.605 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.591 -15.912 8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.508 -17.002 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.863 -15.819 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.429 -17.752 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.679 -17.703 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.512 -19.927 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.742 -19.352 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.438 -19.400 6.675 1.00 0.00 H new ATOM 126 N TYR A 8 -3.173 -14.883 3.783 1.00 0.00 N ATOM 127 CA TYR A 8 -3.156 -15.014 2.322 1.00 0.00 C ATOM 128 C TYR A 8 -1.922 -15.830 1.918 1.00 0.00 C ATOM 129 O TYR A 8 -0.807 -15.483 2.305 1.00 0.00 O ATOM 130 CB TYR A 8 -3.119 -13.619 1.668 1.00 0.00 C ATOM 131 CG TYR A 8 -4.082 -12.586 2.237 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.465 -12.854 2.301 1.00 0.00 C ATOM 133 CD2 TYR A 8 -3.584 -11.360 2.724 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.344 -11.905 2.856 1.00 0.00 C ATOM 135 CE2 TYR A 8 -4.465 -10.395 3.251 1.00 0.00 C ATOM 136 CZ TYR A 8 -5.852 -10.657 3.301 1.00 0.00 C ATOM 137 OH TYR A 8 -6.716 -9.715 3.781 1.00 0.00 O ATOM 0 H TYR A 8 -2.258 -14.640 4.163 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.057 -15.524 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.106 -13.227 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.328 -13.733 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.851 -13.789 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.523 -11.160 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.397 -12.131 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.080 -9.455 3.617 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.790 -9.805 4.754 1.00 0.00 H new ATOM 147 N ASP A 9 -2.106 -16.938 1.190 1.00 0.00 N ATOM 148 CA ASP A 9 -1.042 -17.900 0.830 1.00 0.00 C ATOM 149 C ASP A 9 -0.118 -18.294 2.014 1.00 0.00 C ATOM 150 O ASP A 9 1.099 -18.417 1.869 1.00 0.00 O ATOM 151 CB ASP A 9 -0.277 -17.398 -0.410 1.00 0.00 C ATOM 152 CG ASP A 9 -1.189 -17.267 -1.642 1.00 0.00 C ATOM 153 OD1 ASP A 9 -1.667 -18.309 -2.152 1.00 0.00 O ATOM 154 OD2 ASP A 9 -1.420 -16.128 -2.115 1.00 0.00 O ATOM 0 H ASP A 9 -3.020 -17.203 0.823 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.526 -18.841 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.174 -16.430 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.538 -18.086 -0.635 1.00 0.00 H new ATOM 159 N ASN A 10 -0.713 -18.482 3.203 1.00 0.00 N ATOM 160 CA ASN A 10 -0.051 -18.794 4.485 1.00 0.00 C ATOM 161 C ASN A 10 0.818 -17.659 5.070 1.00 0.00 C ATOM 162 O ASN A 10 1.775 -17.920 5.805 1.00 0.00 O ATOM 163 CB ASN A 10 0.658 -20.167 4.421 1.00 0.00 C ATOM 164 CG ASN A 10 -0.244 -21.286 3.926 1.00 0.00 C ATOM 165 OD1 ASN A 10 -1.250 -21.624 4.538 1.00 0.00 O ATOM 166 ND2 ASN A 10 0.075 -21.895 2.806 1.00 0.00 N ATOM 0 H ASN A 10 -1.726 -18.417 3.304 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.848 -18.875 5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.525 -20.091 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.031 -20.422 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.514 -22.647 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.912 -21.616 2.294 1.00 0.00 H new ATOM 173 N VAL A 11 0.467 -16.397 4.793 1.00 0.00 N ATOM 174 CA VAL A 11 1.156 -15.204 5.318 1.00 0.00 C ATOM 175 C VAL A 11 0.170 -14.150 5.816 1.00 0.00 C ATOM 176 O VAL A 11 -0.844 -13.870 5.177 1.00 0.00 O ATOM 177 CB VAL A 11 2.098 -14.565 4.270 1.00 0.00 C ATOM 178 CG1 VAL A 11 3.304 -13.985 5.006 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.637 -15.519 3.198 1.00 0.00 C ATOM 0 H VAL A 11 -0.320 -16.168 4.185 1.00 0.00 H new ATOM 0 HA VAL A 11 1.755 -15.554 6.159 1.00 0.00 H new ATOM 0 HB VAL A 11 1.494 -13.822 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.984 -13.528 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.968 -13.231 5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.822 -14.782 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.286 -14.970 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.205 -16.318 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.804 -15.948 2.641 1.00 0.00 H new ATOM 189 N ASN A 12 0.474 -13.564 6.976 1.00 0.00 N ATOM 190 CA ASN A 12 -0.252 -12.422 7.530 1.00 0.00 C ATOM 191 C ASN A 12 0.221 -11.094 6.915 1.00 0.00 C ATOM 192 O ASN A 12 1.326 -10.988 6.377 1.00 0.00 O ATOM 193 CB ASN A 12 -0.019 -12.360 9.050 1.00 0.00 C ATOM 194 CG ASN A 12 -0.890 -13.291 9.880 1.00 0.00 C ATOM 195 OD1 ASN A 12 -1.550 -12.877 10.823 1.00 0.00 O ATOM 196 ND2 ASN A 12 -0.913 -14.571 9.585 1.00 0.00 N ATOM 0 H ASN A 12 1.245 -13.876 7.566 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.309 -12.558 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.027 -12.593 9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.187 -11.337 9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.479 -15.212 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.365 -14.923 8.800 1.00 0.00 H new ATOM 203 N LEU A 13 -0.575 -10.042 7.128 1.00 0.00 N ATOM 204 CA LEU A 13 -0.185 -8.652 6.865 1.00 0.00 C ATOM 205 C LEU A 13 1.092 -8.226 7.578 1.00 0.00 C ATOM 206 O LEU A 13 1.912 -7.569 6.955 1.00 0.00 O ATOM 207 CB LEU A 13 -1.328 -7.704 7.267 1.00 0.00 C ATOM 208 CG LEU A 13 -2.062 -7.145 6.049 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.271 -6.349 6.543 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.187 -6.185 5.240 1.00 0.00 C ATOM 0 H LEU A 13 -1.523 -10.133 7.494 1.00 0.00 H new ATOM 0 HA LEU A 13 0.016 -8.592 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.035 -8.237 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.926 -6.881 7.857 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.343 -7.985 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.811 -5.940 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.932 -7.005 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.933 -5.534 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.750 -5.813 4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.888 -5.347 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.299 -6.710 4.889 1.00 0.00 H new ATOM 222 N ASP A 14 1.293 -8.599 8.842 1.00 0.00 N ATOM 223 CA ASP A 14 2.468 -8.171 9.617 1.00 0.00 C ATOM 224 C ASP A 14 3.813 -8.510 8.949 1.00 0.00 C ATOM 225 O ASP A 14 4.795 -7.802 9.158 1.00 0.00 O ATOM 226 CB ASP A 14 2.400 -8.743 11.034 1.00 0.00 C ATOM 227 CG ASP A 14 1.298 -8.057 11.856 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.432 -6.848 12.165 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.277 -8.713 12.170 1.00 0.00 O ATOM 0 H ASP A 14 0.653 -9.202 9.359 1.00 0.00 H new ATOM 0 HA ASP A 14 2.430 -7.082 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.209 -9.815 10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.362 -8.612 11.529 1.00 0.00 H new ATOM 234 N GLU A 15 3.859 -9.545 8.105 1.00 0.00 N ATOM 235 CA GLU A 15 5.024 -9.869 7.275 1.00 0.00 C ATOM 236 C GLU A 15 5.120 -8.993 6.009 1.00 0.00 C ATOM 237 O GLU A 15 6.220 -8.700 5.561 1.00 0.00 O ATOM 238 CB GLU A 15 4.965 -11.355 6.890 1.00 0.00 C ATOM 239 CG GLU A 15 6.337 -11.961 6.563 1.00 0.00 C ATOM 240 CD GLU A 15 7.232 -12.090 7.811 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.015 -13.019 8.627 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.169 -11.272 7.979 1.00 0.00 O ATOM 0 H GLU A 15 3.079 -10.190 7.977 1.00 0.00 H new ATOM 0 HA GLU A 15 5.919 -9.662 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.515 -11.916 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.310 -11.472 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.200 -12.945 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.839 -11.339 5.821 1.00 0.00 H new ATOM 249 N ILE A 16 4.000 -8.530 5.442 1.00 0.00 N ATOM 250 CA ILE A 16 3.942 -7.684 4.226 1.00 0.00 C ATOM 251 C ILE A 16 4.703 -6.378 4.450 1.00 0.00 C ATOM 252 O ILE A 16 5.711 -6.133 3.788 1.00 0.00 O ATOM 253 CB ILE A 16 2.474 -7.477 3.730 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.856 -8.827 3.308 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.349 -6.470 2.578 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.613 -9.521 2.160 1.00 0.00 C ATOM 0 H ILE A 16 3.076 -8.735 5.822 1.00 0.00 H new ATOM 0 HA ILE A 16 4.446 -8.206 3.412 1.00 0.00 H new ATOM 0 HB ILE A 16 1.927 -7.057 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.833 -9.492 4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.822 -8.664 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.303 -6.378 2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.722 -5.498 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.933 -6.817 1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.122 -10.463 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.613 -8.875 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.640 -9.716 2.467 1.00 0.00 H new ATOM 268 N LEU A 17 4.316 -5.589 5.454 1.00 0.00 N ATOM 269 CA LEU A 17 5.035 -4.353 5.797 1.00 0.00 C ATOM 270 C LEU A 17 6.462 -4.592 6.343 1.00 0.00 C ATOM 271 O LEU A 17 7.317 -3.717 6.198 1.00 0.00 O ATOM 272 CB LEU A 17 4.213 -3.532 6.805 1.00 0.00 C ATOM 273 CG LEU A 17 3.548 -4.343 7.941 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.443 -3.465 9.167 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.098 -4.740 7.665 1.00 0.00 C ATOM 0 H LEU A 17 3.508 -5.781 6.046 1.00 0.00 H new ATOM 0 HA LEU A 17 5.156 -3.799 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.864 -2.781 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.435 -2.996 6.261 1.00 0.00 H new ATOM 0 HG LEU A 17 4.167 -5.233 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.975 -4.025 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.440 -3.148 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.838 -2.588 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.708 -5.305 8.511 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.496 -3.843 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.054 -5.355 6.766 1.00 0.00 H new ATOM 287 N ALA A 18 6.731 -5.747 6.964 1.00 0.00 N ATOM 288 CA ALA A 18 8.042 -6.087 7.535 1.00 0.00 C ATOM 289 C ALA A 18 9.038 -6.691 6.520 1.00 0.00 C ATOM 290 O ALA A 18 10.244 -6.711 6.782 1.00 0.00 O ATOM 291 CB ALA A 18 7.818 -7.056 8.697 1.00 0.00 C ATOM 0 H ALA A 18 6.035 -6.483 7.086 1.00 0.00 H new ATOM 0 HA ALA A 18 8.503 -5.158 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.778 -7.324 9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.192 -6.580 9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.324 -7.956 8.330 1.00 0.00 H new ATOM 297 N ASN A 19 8.558 -7.168 5.367 1.00 0.00 N ATOM 298 CA ASN A 19 9.331 -7.886 4.357 1.00 0.00 C ATOM 299 C ASN A 19 9.154 -7.209 2.989 1.00 0.00 C ATOM 300 O ASN A 19 8.264 -7.549 2.209 1.00 0.00 O ATOM 301 CB ASN A 19 8.940 -9.377 4.343 1.00 0.00 C ATOM 302 CG ASN A 19 10.097 -10.246 3.904 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.307 -10.502 2.729 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.919 -10.704 4.817 1.00 0.00 N ATOM 0 H ASN A 19 7.579 -7.058 5.104 1.00 0.00 H new ATOM 0 HA ASN A 19 10.392 -7.845 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.613 -9.679 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.095 -9.527 3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.724 -11.268 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.754 -10.497 5.802 1.00 0.00 H new ATOM 311 N ASP A 20 10.005 -6.228 2.685 1.00 0.00 N ATOM 312 CA ASP A 20 9.946 -5.478 1.424 1.00 0.00 C ATOM 313 C ASP A 20 9.999 -6.369 0.167 1.00 0.00 C ATOM 314 O ASP A 20 9.440 -6.008 -0.869 1.00 0.00 O ATOM 315 CB ASP A 20 11.058 -4.422 1.381 1.00 0.00 C ATOM 316 CG ASP A 20 12.466 -5.026 1.236 1.00 0.00 C ATOM 317 OD1 ASP A 20 12.980 -5.606 2.220 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.055 -4.921 0.134 1.00 0.00 O ATOM 0 H ASP A 20 10.757 -5.929 3.306 1.00 0.00 H new ATOM 0 HA ASP A 20 8.972 -4.990 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.874 -3.744 0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.018 -3.825 2.292 1.00 0.00 H new ATOM 323 N ARG A 21 10.616 -7.554 0.266 1.00 0.00 N ATOM 324 CA ARG A 21 10.632 -8.585 -0.790 1.00 0.00 C ATOM 325 C ARG A 21 9.219 -9.044 -1.175 1.00 0.00 C ATOM 326 O ARG A 21 8.930 -9.216 -2.358 1.00 0.00 O ATOM 327 CB ARG A 21 11.440 -9.826 -0.362 1.00 0.00 C ATOM 328 CG ARG A 21 12.750 -9.568 0.406 1.00 0.00 C ATOM 329 CD ARG A 21 13.454 -10.884 0.777 1.00 0.00 C ATOM 330 NE ARG A 21 12.568 -11.777 1.550 1.00 0.00 N ATOM 331 CZ ARG A 21 12.695 -13.076 1.742 1.00 0.00 C ATOM 332 NH1 ARG A 21 13.730 -13.745 1.320 1.00 0.00 N ATOM 333 NH2 ARG A 21 11.761 -13.730 2.370 1.00 0.00 N ATOM 0 H ARG A 21 11.131 -7.833 1.101 1.00 0.00 H new ATOM 0 HA ARG A 21 11.105 -8.114 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.799 -10.452 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.678 -10.402 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.416 -8.957 -0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.536 -9.000 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.780 -11.391 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.349 -10.666 1.359 1.00 0.00 H new ATOM 0 HE ARG A 21 11.760 -11.336 1.989 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.479 -13.265 0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.791 -14.749 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.935 -13.238 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.855 -14.734 2.521 1.00 0.00 H new ATOM 347 N LEU A 22 8.338 -9.217 -0.180 1.00 0.00 N ATOM 348 CA LEU A 22 6.906 -9.465 -0.382 1.00 0.00 C ATOM 349 C LEU A 22 6.238 -8.199 -0.922 1.00 0.00 C ATOM 350 O LEU A 22 5.584 -8.238 -1.962 1.00 0.00 O ATOM 351 CB LEU A 22 6.217 -9.878 0.940 1.00 0.00 C ATOM 352 CG LEU A 22 6.804 -11.104 1.657 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.114 -11.329 3.001 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.625 -12.382 0.855 1.00 0.00 C ATOM 0 H LEU A 22 8.606 -9.188 0.804 1.00 0.00 H new ATOM 0 HA LEU A 22 6.801 -10.281 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.254 -9.031 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.165 -10.074 0.731 1.00 0.00 H new ATOM 0 HG LEU A 22 7.865 -10.891 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.546 -12.202 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.254 -10.452 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.049 -11.494 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.056 -13.219 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.563 -12.563 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.128 -12.281 -0.107 1.00 0.00 H new ATOM 366 N LEU A 23 6.459 -7.071 -0.237 1.00 0.00 N ATOM 367 CA LEU A 23 5.856 -5.761 -0.512 1.00 0.00 C ATOM 368 C LEU A 23 6.002 -5.344 -1.990 1.00 0.00 C ATOM 369 O LEU A 23 5.047 -4.863 -2.600 1.00 0.00 O ATOM 370 CB LEU A 23 6.499 -4.751 0.465 1.00 0.00 C ATOM 371 CG LEU A 23 5.662 -3.544 0.878 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.205 -2.729 -0.325 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.481 -3.995 1.730 1.00 0.00 C ATOM 0 H LEU A 23 7.093 -7.045 0.562 1.00 0.00 H new ATOM 0 HA LEU A 23 4.779 -5.798 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.782 -5.290 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.420 -4.383 0.012 1.00 0.00 H new ATOM 0 HG LEU A 23 6.290 -2.885 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.612 -1.880 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.076 -2.368 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.599 -3.355 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.889 -3.127 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.860 -4.682 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.849 -4.499 2.624 1.00 0.00 H new ATOM 385 N ASN A 24 7.158 -5.623 -2.602 1.00 0.00 N ATOM 386 CA ASN A 24 7.487 -5.300 -3.998 1.00 0.00 C ATOM 387 C ASN A 24 6.415 -5.725 -5.026 1.00 0.00 C ATOM 388 O ASN A 24 6.190 -4.993 -5.990 1.00 0.00 O ATOM 389 CB ASN A 24 8.864 -5.895 -4.353 1.00 0.00 C ATOM 390 CG ASN A 24 9.975 -4.862 -4.260 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.396 -4.274 -5.246 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.475 -4.587 -3.078 1.00 0.00 N ATOM 0 H ASN A 24 7.921 -6.099 -2.121 1.00 0.00 H new ATOM 0 HA ASN A 24 7.517 -4.212 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.084 -6.725 -3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.833 -6.303 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.210 -3.886 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.128 -5.074 -2.252 1.00 0.00 H new ATOM 399 N LYS A 25 5.703 -6.843 -4.819 1.00 0.00 N ATOM 400 CA LYS A 25 4.641 -7.296 -5.748 1.00 0.00 C ATOM 401 C LYS A 25 3.334 -6.511 -5.570 1.00 0.00 C ATOM 402 O LYS A 25 2.663 -6.184 -6.550 1.00 0.00 O ATOM 403 CB LYS A 25 4.450 -8.826 -5.662 1.00 0.00 C ATOM 404 CG LYS A 25 3.562 -9.305 -4.499 1.00 0.00 C ATOM 405 CD LYS A 25 3.647 -10.815 -4.234 1.00 0.00 C ATOM 406 CE LYS A 25 5.003 -11.222 -3.640 1.00 0.00 C ATOM 407 NZ LYS A 25 5.049 -12.678 -3.335 1.00 0.00 N ATOM 0 H LYS A 25 5.840 -7.456 -4.015 1.00 0.00 H new ATOM 0 HA LYS A 25 4.970 -7.075 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.017 -9.176 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.430 -9.295 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.847 -8.770 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.526 -9.041 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.850 -11.108 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.483 -11.356 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.799 -10.971 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.188 -10.652 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.978 -12.920 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.305 -12.912 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.896 -13.221 -4.209 1.00 0.00 H new ATOM 421 N TYR A 26 3.020 -6.139 -4.327 1.00 0.00 N ATOM 422 CA TYR A 26 1.868 -5.310 -3.964 1.00 0.00 C ATOM 423 C TYR A 26 2.014 -3.876 -4.500 1.00 0.00 C ATOM 424 O TYR A 26 1.024 -3.290 -4.934 1.00 0.00 O ATOM 425 CB TYR A 26 1.671 -5.321 -2.435 1.00 0.00 C ATOM 426 CG TYR A 26 1.264 -6.670 -1.865 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.235 -7.653 -1.600 1.00 0.00 C ATOM 428 CD2 TYR A 26 -0.088 -6.944 -1.593 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.856 -8.925 -1.132 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.469 -8.191 -1.061 1.00 0.00 C ATOM 431 CZ TYR A 26 0.497 -9.197 -0.854 1.00 0.00 C ATOM 432 OH TYR A 26 0.112 -10.418 -0.393 1.00 0.00 O ATOM 0 H TYR A 26 3.578 -6.415 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 26 0.979 -5.734 -4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.599 -5.004 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.911 -4.585 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.280 -7.430 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.839 -6.194 -1.793 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.602 -9.692 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.503 -8.377 -0.811 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.858 -10.425 -0.256 1.00 0.00 H new ATOM 442 N VAL A 27 3.236 -3.325 -4.540 1.00 0.00 N ATOM 443 CA VAL A 27 3.513 -2.022 -5.183 1.00 0.00 C ATOM 444 C VAL A 27 3.610 -2.105 -6.700 1.00 0.00 C ATOM 445 O VAL A 27 2.999 -1.291 -7.381 1.00 0.00 O ATOM 446 CB VAL A 27 4.733 -1.292 -4.591 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.437 -0.953 -3.135 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.029 -2.097 -4.615 1.00 0.00 C ATOM 0 H VAL A 27 4.061 -3.764 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 27 2.637 -1.417 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 27 4.888 -0.413 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.292 -0.435 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.558 -0.310 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.248 -1.871 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.833 -1.505 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.899 -3.013 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.282 -2.349 -5.645 1.00 0.00 H new ATOM 458 N GLN A 28 4.274 -3.113 -7.268 1.00 0.00 N ATOM 459 CA GLN A 28 4.310 -3.310 -8.731 1.00 0.00 C ATOM 460 C GLN A 28 2.913 -3.316 -9.367 1.00 0.00 C ATOM 461 O GLN A 28 2.746 -2.800 -10.468 1.00 0.00 O ATOM 462 CB GLN A 28 5.021 -4.623 -9.069 1.00 0.00 C ATOM 463 CG GLN A 28 6.486 -4.399 -9.474 1.00 0.00 C ATOM 464 CD GLN A 28 7.285 -5.703 -9.461 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.100 -5.965 -8.585 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.085 -6.579 -10.425 1.00 0.00 N ATOM 0 H GLN A 28 4.798 -3.812 -6.741 1.00 0.00 H new ATOM 0 HA GLN A 28 4.857 -2.463 -9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.981 -5.289 -8.207 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.493 -5.122 -9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.524 -3.959 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.946 -3.684 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.411 -6.379 -11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.605 -7.457 -10.432 1.00 0.00 H new ATOM 475 N CYS A 29 1.908 -3.806 -8.636 1.00 0.00 N ATOM 476 CA CYS A 29 0.496 -3.796 -9.019 1.00 0.00 C ATOM 477 C CYS A 29 -0.079 -2.424 -9.435 1.00 0.00 C ATOM 478 O CYS A 29 -1.117 -2.373 -10.100 1.00 0.00 O ATOM 479 CB CYS A 29 -0.289 -4.378 -7.838 1.00 0.00 C ATOM 480 SG CYS A 29 -2.061 -4.678 -8.051 1.00 0.00 S ATOM 0 H CYS A 29 2.063 -4.237 -7.725 1.00 0.00 H new ATOM 0 HA CYS A 29 0.400 -4.393 -9.926 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.178 -5.324 -7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.165 -3.703 -6.991 1.00 0.00 H new ATOM 485 N LEU A 30 0.590 -1.319 -9.079 1.00 0.00 N ATOM 486 CA LEU A 30 0.292 0.022 -9.590 1.00 0.00 C ATOM 487 C LEU A 30 1.522 0.831 -10.070 1.00 0.00 C ATOM 488 O LEU A 30 1.341 1.865 -10.717 1.00 0.00 O ATOM 489 CB LEU A 30 -0.618 0.799 -8.605 1.00 0.00 C ATOM 490 CG LEU A 30 -0.164 1.056 -7.149 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.259 -0.181 -6.254 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.253 1.608 -7.055 1.00 0.00 C ATOM 0 H LEU A 30 1.366 -1.334 -8.417 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.270 -0.127 -10.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.821 1.771 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.567 0.266 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.868 1.806 -6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.075 0.072 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.293 -0.525 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.373 -0.972 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.513 1.767 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.951 0.897 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.311 2.555 -7.591 1.00 0.00 H new ATOM 504 N LEU A 31 2.754 0.388 -9.776 1.00 0.00 N ATOM 505 CA LEU A 31 4.009 1.046 -10.183 1.00 0.00 C ATOM 506 C LEU A 31 4.457 0.622 -11.595 1.00 0.00 C ATOM 507 O LEU A 31 4.925 1.456 -12.372 1.00 0.00 O ATOM 508 CB LEU A 31 5.083 0.823 -9.080 1.00 0.00 C ATOM 509 CG LEU A 31 6.401 0.095 -9.435 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.424 1.030 -10.076 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.058 -0.469 -8.175 1.00 0.00 C ATOM 0 H LEU A 31 2.911 -0.461 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 31 3.848 2.121 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.348 1.802 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.610 0.266 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 31 6.127 -0.694 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.332 0.473 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.011 1.447 -10.994 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.661 1.839 -9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.984 -0.978 -8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.279 0.345 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.381 -1.177 -7.697 1.00 0.00 H new ATOM 523 N GLU A 32 4.315 -0.662 -11.935 1.00 0.00 N ATOM 524 CA GLU A 32 4.764 -1.211 -13.222 1.00 0.00 C ATOM 525 C GLU A 32 3.843 -0.779 -14.388 1.00 0.00 C ATOM 526 O GLU A 32 2.709 -0.339 -14.185 1.00 0.00 O ATOM 527 CB GLU A 32 4.874 -2.753 -13.133 1.00 0.00 C ATOM 528 CG GLU A 32 6.284 -3.289 -13.427 1.00 0.00 C ATOM 529 CD GLU A 32 6.652 -3.216 -14.921 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.909 -2.098 -15.427 1.00 0.00 O ATOM 531 OE2 GLU A 32 6.689 -4.273 -15.595 1.00 0.00 O ATOM 0 H GLU A 32 3.883 -1.355 -11.324 1.00 0.00 H new ATOM 0 HA GLU A 32 5.752 -0.803 -13.436 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.574 -3.073 -12.135 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.171 -3.200 -13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.012 -2.719 -12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.351 -4.324 -13.091 1.00 0.00 H new ATOM 538 N ASP A 33 4.298 -0.955 -15.631 1.00 0.00 N ATOM 539 CA ASP A 33 3.524 -0.725 -16.866 1.00 0.00 C ATOM 540 C ASP A 33 2.468 -1.831 -17.159 1.00 0.00 C ATOM 541 O ASP A 33 2.011 -2.001 -18.291 1.00 0.00 O ATOM 542 CB ASP A 33 4.518 -0.541 -18.028 1.00 0.00 C ATOM 543 CG ASP A 33 3.877 0.073 -19.289 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.175 1.108 -19.177 1.00 0.00 O ATOM 545 OD2 ASP A 33 4.124 -0.439 -20.409 1.00 0.00 O ATOM 0 H ASP A 33 5.249 -1.273 -15.818 1.00 0.00 H new ATOM 0 HA ASP A 33 2.929 0.179 -16.738 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.337 0.098 -17.698 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.951 -1.508 -18.283 1.00 0.00 H new ATOM 550 N ASP A 34 2.086 -2.608 -16.142 1.00 0.00 N ATOM 551 CA ASP A 34 1.105 -3.701 -16.189 1.00 0.00 C ATOM 552 C ASP A 34 0.354 -3.812 -14.843 1.00 0.00 C ATOM 553 O ASP A 34 0.646 -3.101 -13.878 1.00 0.00 O ATOM 554 CB ASP A 34 1.821 -5.035 -16.515 1.00 0.00 C ATOM 555 CG ASP A 34 0.983 -5.988 -17.386 1.00 0.00 C ATOM 556 OD1 ASP A 34 -0.184 -6.265 -17.026 1.00 0.00 O ATOM 557 OD2 ASP A 34 1.502 -6.493 -18.410 1.00 0.00 O ATOM 0 H ASP A 34 2.475 -2.485 -15.207 1.00 0.00 H new ATOM 0 HA ASP A 34 0.377 -3.487 -16.972 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.759 -4.819 -17.027 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.076 -5.538 -15.582 1.00 0.00 H new ATOM 562 N GLU A 35 -0.579 -4.758 -14.761 1.00 0.00 N ATOM 563 CA GLU A 35 -1.214 -5.229 -13.525 1.00 0.00 C ATOM 564 C GLU A 35 -1.212 -6.764 -13.408 1.00 0.00 C ATOM 565 O GLU A 35 -1.799 -7.332 -12.487 1.00 0.00 O ATOM 566 CB GLU A 35 -2.618 -4.610 -13.384 1.00 0.00 C ATOM 567 CG GLU A 35 -3.595 -5.041 -14.491 1.00 0.00 C ATOM 568 CD GLU A 35 -4.972 -4.377 -14.299 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.845 -4.962 -13.610 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.202 -3.270 -14.846 1.00 0.00 O ATOM 0 H GLU A 35 -0.931 -5.240 -15.588 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.617 -4.886 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.033 -4.889 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.529 -3.524 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.189 -4.770 -15.466 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.705 -6.125 -14.482 1.00 0.00 H new ATOM 577 N SER A 36 -0.477 -7.453 -14.290 1.00 0.00 N ATOM 578 CA SER A 36 -0.201 -8.899 -14.185 1.00 0.00 C ATOM 579 C SER A 36 0.486 -9.284 -12.857 1.00 0.00 C ATOM 580 O SER A 36 0.378 -10.415 -12.378 1.00 0.00 O ATOM 581 CB SER A 36 0.682 -9.308 -15.365 1.00 0.00 C ATOM 582 OG SER A 36 0.780 -10.719 -15.482 1.00 0.00 O ATOM 0 H SER A 36 -0.050 -7.020 -15.109 1.00 0.00 H new ATOM 0 HA SER A 36 -1.154 -9.427 -14.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.273 -8.894 -16.287 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.678 -8.883 -15.239 1.00 0.00 H new ATOM 0 HG SER A 36 1.350 -10.945 -16.247 1.00 0.00 H new ATOM 588 N ASN A 37 1.173 -8.317 -12.236 1.00 0.00 N ATOM 589 CA ASN A 37 1.913 -8.452 -10.978 1.00 0.00 C ATOM 590 C ASN A 37 1.009 -8.661 -9.744 1.00 0.00 C ATOM 591 O ASN A 37 1.480 -9.134 -8.708 1.00 0.00 O ATOM 592 CB ASN A 37 2.765 -7.182 -10.764 1.00 0.00 C ATOM 593 CG ASN A 37 3.349 -6.606 -12.042 1.00 0.00 C ATOM 594 OD1 ASN A 37 2.839 -5.650 -12.599 1.00 0.00 O ATOM 595 ND2 ASN A 37 4.384 -7.195 -12.587 1.00 0.00 N ATOM 0 H ASN A 37 1.230 -7.373 -12.618 1.00 0.00 H new ATOM 0 HA ASN A 37 2.531 -9.345 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.150 -6.421 -10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.579 -7.415 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.758 -6.853 -13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.816 -7.996 -12.126 1.00 0.00 H new ATOM 602 N CYS A 38 -0.266 -8.264 -9.829 1.00 0.00 N ATOM 603 CA CYS A 38 -1.188 -8.265 -8.689 1.00 0.00 C ATOM 604 C CYS A 38 -1.542 -9.692 -8.228 1.00 0.00 C ATOM 605 O CYS A 38 -1.894 -10.549 -9.044 1.00 0.00 O ATOM 606 CB CYS A 38 -2.470 -7.521 -9.076 1.00 0.00 C ATOM 607 SG CYS A 38 -2.264 -5.832 -9.704 1.00 0.00 S ATOM 0 H CYS A 38 -0.689 -7.931 -10.696 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.690 -7.765 -7.858 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.989 -8.107 -9.835 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.120 -7.484 -8.202 1.00 0.00 H new ATOM 612 N THR A 39 -1.501 -9.941 -6.915 1.00 0.00 N ATOM 613 CA THR A 39 -1.957 -11.209 -6.312 1.00 0.00 C ATOM 614 C THR A 39 -3.469 -11.218 -6.056 1.00 0.00 C ATOM 615 O THR A 39 -4.135 -10.178 -6.121 1.00 0.00 O ATOM 616 CB THR A 39 -1.205 -11.515 -5.006 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.439 -10.499 -4.062 1.00 0.00 O ATOM 618 CG2 THR A 39 0.303 -11.625 -5.217 1.00 0.00 C ATOM 0 H THR A 39 -1.150 -9.269 -6.233 1.00 0.00 H new ATOM 0 HA THR A 39 -1.732 -11.990 -7.038 1.00 0.00 H new ATOM 0 HB THR A 39 -1.580 -12.474 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.957 -10.705 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.789 -11.842 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.514 -12.428 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.685 -10.684 -5.613 1.00 0.00 H new ATOM 626 N ALA A 40 -4.011 -12.400 -5.734 1.00 0.00 N ATOM 627 CA ALA A 40 -5.434 -12.642 -5.471 1.00 0.00 C ATOM 628 C ALA A 40 -6.052 -11.753 -4.367 1.00 0.00 C ATOM 629 O ALA A 40 -7.264 -11.522 -4.383 1.00 0.00 O ATOM 630 CB ALA A 40 -5.612 -14.132 -5.150 1.00 0.00 C ATOM 0 H ALA A 40 -3.448 -13.246 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.983 -12.363 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.664 -14.338 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.280 -14.729 -5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.019 -14.388 -4.272 1.00 0.00 H new ATOM 636 N ASP A 41 -5.240 -11.225 -3.441 1.00 0.00 N ATOM 637 CA ASP A 41 -5.666 -10.228 -2.447 1.00 0.00 C ATOM 638 C ASP A 41 -4.880 -8.907 -2.518 1.00 0.00 C ATOM 639 O ASP A 41 -5.410 -7.872 -2.123 1.00 0.00 O ATOM 640 CB ASP A 41 -5.619 -10.826 -1.035 1.00 0.00 C ATOM 641 CG ASP A 41 -6.399 -9.934 -0.052 1.00 0.00 C ATOM 642 OD1 ASP A 41 -7.642 -10.092 0.033 1.00 0.00 O ATOM 643 OD2 ASP A 41 -5.780 -9.067 0.608 1.00 0.00 O ATOM 0 H ASP A 41 -4.256 -11.481 -3.359 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.696 -9.969 -2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.045 -11.829 -1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.584 -10.922 -0.707 1.00 0.00 H new ATOM 648 N GLY A 42 -3.674 -8.871 -3.098 1.00 0.00 N ATOM 649 CA GLY A 42 -2.912 -7.627 -3.264 1.00 0.00 C ATOM 650 C GLY A 42 -3.608 -6.590 -4.144 1.00 0.00 C ATOM 651 O GLY A 42 -3.537 -5.394 -3.849 1.00 0.00 O ATOM 0 H GLY A 42 -3.201 -9.698 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.727 -7.191 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.939 -7.863 -3.696 1.00 0.00 H new ATOM 655 N LYS A 43 -4.367 -7.038 -5.155 1.00 0.00 N ATOM 656 CA LYS A 43 -5.316 -6.180 -5.884 1.00 0.00 C ATOM 657 C LYS A 43 -6.390 -5.579 -4.970 1.00 0.00 C ATOM 658 O LYS A 43 -6.761 -4.425 -5.159 1.00 0.00 O ATOM 659 CB LYS A 43 -5.897 -6.966 -7.086 1.00 0.00 C ATOM 660 CG LYS A 43 -7.258 -6.479 -7.626 1.00 0.00 C ATOM 661 CD LYS A 43 -8.426 -7.289 -7.038 1.00 0.00 C ATOM 662 CE LYS A 43 -9.776 -6.577 -7.192 1.00 0.00 C ATOM 663 NZ LYS A 43 -10.212 -6.466 -8.610 1.00 0.00 N ATOM 0 H LYS A 43 -4.342 -8.001 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.781 -5.314 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.173 -6.931 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.998 -8.011 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.389 -5.424 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.269 -6.561 -8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.474 -8.260 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.237 -7.477 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.534 -7.118 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.707 -5.579 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.129 -5.977 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.505 -5.926 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.307 -7.417 -9.019 1.00 0.00 H new ATOM 677 N GLU A 44 -6.880 -6.309 -3.971 1.00 0.00 N ATOM 678 CA GLU A 44 -7.861 -5.781 -3.025 1.00 0.00 C ATOM 679 C GLU A 44 -7.214 -4.800 -2.033 1.00 0.00 C ATOM 680 O GLU A 44 -7.750 -3.711 -1.830 1.00 0.00 O ATOM 681 CB GLU A 44 -8.559 -6.937 -2.281 1.00 0.00 C ATOM 682 CG GLU A 44 -10.058 -6.689 -2.103 1.00 0.00 C ATOM 683 CD GLU A 44 -10.829 -6.844 -3.431 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.210 -7.985 -3.788 1.00 0.00 O ATOM 685 OE2 GLU A 44 -11.063 -5.826 -4.124 1.00 0.00 O ATOM 0 H GLU A 44 -6.611 -7.277 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.611 -5.226 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.409 -7.865 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.096 -7.069 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.457 -7.388 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.215 -5.686 -1.707 1.00 0.00 H new ATOM 692 N LEU A 45 -6.032 -5.131 -1.484 1.00 0.00 N ATOM 693 CA LEU A 45 -5.252 -4.260 -0.598 1.00 0.00 C ATOM 694 C LEU A 45 -4.975 -2.907 -1.269 1.00 0.00 C ATOM 695 O LEU A 45 -5.334 -1.868 -0.717 1.00 0.00 O ATOM 696 CB LEU A 45 -3.967 -4.998 -0.143 1.00 0.00 C ATOM 697 CG LEU A 45 -2.959 -4.119 0.640 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.297 -4.855 1.817 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.830 -3.619 -0.267 1.00 0.00 C ATOM 0 H LEU A 45 -5.585 -6.033 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.826 -4.033 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.252 -5.844 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.467 -5.405 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.555 -3.290 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.603 -4.183 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.064 -5.181 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.754 -5.724 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.141 -3.006 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.294 -4.471 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.251 -3.024 -1.077 1.00 0.00 H new ATOM 711 N LYS A 46 -4.431 -2.891 -2.493 1.00 0.00 N ATOM 712 CA LYS A 46 -4.185 -1.632 -3.217 1.00 0.00 C ATOM 713 C LYS A 46 -5.472 -0.894 -3.593 1.00 0.00 C ATOM 714 O LYS A 46 -5.457 0.323 -3.700 1.00 0.00 O ATOM 715 CB LYS A 46 -3.243 -1.845 -4.416 1.00 0.00 C ATOM 716 CG LYS A 46 -3.919 -2.420 -5.670 1.00 0.00 C ATOM 717 CD LYS A 46 -4.407 -1.357 -6.674 1.00 0.00 C ATOM 718 CE LYS A 46 -5.393 -1.922 -7.708 1.00 0.00 C ATOM 719 NZ LYS A 46 -4.722 -2.708 -8.779 1.00 0.00 N ATOM 0 H LYS A 46 -4.153 -3.730 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.670 -0.967 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.783 -0.891 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.439 -2.516 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.217 -3.084 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.769 -3.029 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.885 -0.543 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.548 -0.932 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.120 -2.556 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.948 -1.100 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.408 -3.356 -9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.349 -2.061 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.940 -3.257 -8.369 1.00 0.00 H new ATOM 733 N SER A 47 -6.584 -1.609 -3.780 1.00 0.00 N ATOM 734 CA SER A 47 -7.882 -1.023 -4.160 1.00 0.00 C ATOM 735 C SER A 47 -8.559 -0.320 -2.977 1.00 0.00 C ATOM 736 O SER A 47 -9.253 0.681 -3.166 1.00 0.00 O ATOM 737 CB SER A 47 -8.804 -2.103 -4.741 1.00 0.00 C ATOM 738 OG SER A 47 -10.034 -1.561 -5.196 1.00 0.00 O ATOM 0 H SER A 47 -6.614 -2.623 -3.672 1.00 0.00 H new ATOM 0 HA SER A 47 -7.692 -0.268 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.300 -2.604 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.000 -2.860 -3.982 1.00 0.00 H new ATOM 0 HG SER A 47 -10.593 -2.279 -5.560 1.00 0.00 H new ATOM 744 N VAL A 48 -8.298 -0.774 -1.743 1.00 0.00 N ATOM 745 CA VAL A 48 -8.782 -0.113 -0.523 1.00 0.00 C ATOM 746 C VAL A 48 -7.839 0.987 0.001 1.00 0.00 C ATOM 747 O VAL A 48 -8.298 1.885 0.707 1.00 0.00 O ATOM 748 CB VAL A 48 -9.127 -1.152 0.558 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.907 -1.863 1.122 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.815 -0.506 1.751 1.00 0.00 C ATOM 0 H VAL A 48 -7.744 -1.611 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.698 0.412 -0.794 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.775 -1.865 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.222 -2.581 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.387 -2.386 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.236 -1.132 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.045 -1.268 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.155 0.243 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.739 -0.029 1.424 1.00 0.00 H new ATOM 760 N ILE A 49 -6.548 0.989 -0.367 1.00 0.00 N ATOM 761 CA ILE A 49 -5.616 2.061 0.033 1.00 0.00 C ATOM 762 C ILE A 49 -6.164 3.467 -0.318 1.00 0.00 C ATOM 763 O ILE A 49 -6.180 4.323 0.569 1.00 0.00 O ATOM 764 CB ILE A 49 -4.176 1.856 -0.521 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.431 0.779 0.299 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.337 3.156 -0.497 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.048 0.377 -0.235 1.00 0.00 C ATOM 0 H ILE A 49 -6.123 0.261 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.540 1.998 1.119 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.290 1.540 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.315 1.141 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.056 -0.113 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.342 2.954 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.825 3.915 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.252 3.515 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.614 -0.384 0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.150 -0.022 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.397 1.251 -0.255 1.00 0.00 H new ATOM 779 N PRO A 50 -6.651 3.738 -1.551 1.00 0.00 N ATOM 780 CA PRO A 50 -7.197 5.046 -1.908 1.00 0.00 C ATOM 781 C PRO A 50 -8.579 5.297 -1.276 1.00 0.00 C ATOM 782 O PRO A 50 -8.958 6.446 -1.061 1.00 0.00 O ATOM 783 CB PRO A 50 -7.271 5.058 -3.438 1.00 0.00 C ATOM 784 CG PRO A 50 -7.461 3.586 -3.791 1.00 0.00 C ATOM 785 CD PRO A 50 -6.661 2.868 -2.717 1.00 0.00 C ATOM 0 HA PRO A 50 -6.564 5.847 -1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.100 5.668 -3.796 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.362 5.464 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.512 3.299 -3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.089 3.360 -4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.112 1.905 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.646 2.668 -3.059 1.00 0.00 H new ATOM 793 N ASP A 51 -9.332 4.254 -0.914 1.00 0.00 N ATOM 794 CA ASP A 51 -10.599 4.375 -0.171 1.00 0.00 C ATOM 795 C ASP A 51 -10.394 4.931 1.249 1.00 0.00 C ATOM 796 O ASP A 51 -11.249 5.664 1.753 1.00 0.00 O ATOM 797 CB ASP A 51 -11.312 3.016 -0.109 1.00 0.00 C ATOM 798 CG ASP A 51 -12.557 2.951 -1.002 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.447 3.156 -2.233 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.652 2.680 -0.456 1.00 0.00 O ATOM 0 H ASP A 51 -9.080 3.289 -1.129 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.222 5.088 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.616 2.233 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.600 2.810 0.922 1.00 0.00 H new ATOM 805 N ALA A 52 -9.237 4.673 1.872 1.00 0.00 N ATOM 806 CA ALA A 52 -8.816 5.337 3.111 1.00 0.00 C ATOM 807 C ALA A 52 -8.580 6.857 2.954 1.00 0.00 C ATOM 808 O ALA A 52 -8.424 7.562 3.952 1.00 0.00 O ATOM 809 CB ALA A 52 -7.585 4.619 3.672 1.00 0.00 C ATOM 0 H ALA A 52 -8.561 3.991 1.527 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.638 5.261 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.267 5.108 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.834 3.579 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.776 4.659 2.942 1.00 0.00 H new ATOM 815 N LEU A 53 -8.600 7.368 1.717 1.00 0.00 N ATOM 816 CA LEU A 53 -8.436 8.780 1.355 1.00 0.00 C ATOM 817 C LEU A 53 -9.751 9.362 0.787 1.00 0.00 C ATOM 818 O LEU A 53 -10.063 10.530 1.019 1.00 0.00 O ATOM 819 CB LEU A 53 -7.284 8.921 0.330 1.00 0.00 C ATOM 820 CG LEU A 53 -6.047 8.017 0.543 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.043 8.168 -0.599 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.317 8.307 1.853 1.00 0.00 C ATOM 0 H LEU A 53 -8.738 6.775 0.898 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.186 9.347 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.686 8.719 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.951 9.959 0.334 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.438 7.000 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.186 7.519 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.517 7.889 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.709 9.204 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.459 7.642 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.976 9.342 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.995 8.144 2.691 1.00 0.00 H new ATOM 834 N SER A 54 -10.542 8.539 0.083 1.00 0.00 N ATOM 835 CA SER A 54 -11.816 8.915 -0.554 1.00 0.00 C ATOM 836 C SER A 54 -13.007 8.950 0.421 1.00 0.00 C ATOM 837 O SER A 54 -13.860 9.838 0.343 1.00 0.00 O ATOM 838 CB SER A 54 -12.124 7.910 -1.673 1.00 0.00 C ATOM 839 OG SER A 54 -13.071 8.449 -2.582 1.00 0.00 O ATOM 0 H SER A 54 -10.305 7.558 -0.065 1.00 0.00 H new ATOM 0 HA SER A 54 -11.691 9.927 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.206 7.656 -2.204 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.510 6.986 -1.243 1.00 0.00 H new ATOM 0 HG SER A 54 -13.254 7.796 -3.289 1.00 0.00 H new ATOM 845 N ASN A 55 -13.053 8.001 1.365 1.00 0.00 N ATOM 846 CA ASN A 55 -14.139 7.806 2.341 1.00 0.00 C ATOM 847 C ASN A 55 -13.613 7.300 3.699 1.00 0.00 C ATOM 848 O ASN A 55 -14.346 6.648 4.441 1.00 0.00 O ATOM 849 CB ASN A 55 -15.243 6.889 1.750 1.00 0.00 C ATOM 850 CG ASN A 55 -14.732 5.770 0.859 1.00 0.00 C ATOM 851 OD1 ASN A 55 -14.736 5.866 -0.359 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.281 4.679 1.427 1.00 0.00 N ATOM 0 H ASN A 55 -12.304 7.318 1.476 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.592 8.777 2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.810 6.450 2.571 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.937 7.503 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.934 3.911 0.852 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -14.277 4.598 2.444 1.00 0.00 H new ATOM 859 N GLU A 56 -12.339 7.554 4.028 1.00 0.00 N ATOM 860 CA GLU A 56 -11.689 7.127 5.284 1.00 0.00 C ATOM 861 C GLU A 56 -11.879 5.624 5.597 1.00 0.00 C ATOM 862 O GLU A 56 -11.946 5.212 6.757 1.00 0.00 O ATOM 863 CB GLU A 56 -12.112 8.055 6.442 1.00 0.00 C ATOM 864 CG GLU A 56 -11.723 9.517 6.184 1.00 0.00 C ATOM 865 CD GLU A 56 -12.094 10.406 7.386 1.00 0.00 C ATOM 866 OE1 GLU A 56 -13.229 10.943 7.426 1.00 0.00 O ATOM 867 OE2 GLU A 56 -11.251 10.585 8.300 1.00 0.00 O ATOM 0 H GLU A 56 -11.712 8.075 3.415 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.612 7.231 5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.191 7.987 6.584 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.646 7.715 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.652 9.584 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.229 9.879 5.289 1.00 0.00 H new ATOM 874 N CYS A 57 -11.981 4.798 4.544 1.00 0.00 N ATOM 875 CA CYS A 57 -12.237 3.355 4.608 1.00 0.00 C ATOM 876 C CYS A 57 -13.568 2.998 5.319 1.00 0.00 C ATOM 877 O CYS A 57 -13.715 1.914 5.873 1.00 0.00 O ATOM 878 CB CYS A 57 -11.006 2.666 5.228 1.00 0.00 C ATOM 879 SG CYS A 57 -10.540 1.023 4.604 1.00 0.00 S ATOM 0 H CYS A 57 -11.883 5.134 3.586 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.379 2.976 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.151 3.328 5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.178 2.579 6.301 1.00 0.00 H new ATOM 884 N ALA A 58 -14.567 3.883 5.346 1.00 0.00 N ATOM 885 CA ALA A 58 -15.797 3.668 6.114 1.00 0.00 C ATOM 886 C ALA A 58 -16.631 2.448 5.662 1.00 0.00 C ATOM 887 O ALA A 58 -17.363 1.873 6.472 1.00 0.00 O ATOM 888 CB ALA A 58 -16.617 4.964 6.045 1.00 0.00 C ATOM 0 H ALA A 58 -14.547 4.767 4.838 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.517 3.428 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.542 4.840 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.039 5.783 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.852 5.191 5.005 1.00 0.00 H new ATOM 894 N LYS A 59 -16.496 2.020 4.397 1.00 0.00 N ATOM 895 CA LYS A 59 -17.126 0.794 3.860 1.00 0.00 C ATOM 896 C LYS A 59 -16.327 -0.505 4.102 1.00 0.00 C ATOM 897 O LYS A 59 -16.794 -1.589 3.747 1.00 0.00 O ATOM 898 CB LYS A 59 -17.428 0.986 2.359 1.00 0.00 C ATOM 899 CG LYS A 59 -18.403 2.134 2.034 1.00 0.00 C ATOM 900 CD LYS A 59 -19.789 1.953 2.679 1.00 0.00 C ATOM 901 CE LYS A 59 -20.788 3.044 2.263 1.00 0.00 C ATOM 902 NZ LYS A 59 -21.216 2.915 0.845 1.00 0.00 N ATOM 0 H LYS A 59 -15.939 2.520 3.705 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.051 0.656 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.490 1.167 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.839 0.057 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.972 3.076 2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.519 2.208 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.188 0.977 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.683 1.959 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -21.664 2.995 2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.335 4.024 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.889 3.674 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.385 2.989 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.674 1.992 0.703 1.00 0.00 H new ATOM 916 N CYS A 60 -15.131 -0.414 4.683 1.00 0.00 N ATOM 917 CA CYS A 60 -14.218 -1.521 4.967 1.00 0.00 C ATOM 918 C CYS A 60 -14.630 -2.356 6.195 1.00 0.00 C ATOM 919 O CYS A 60 -15.572 -2.015 6.916 1.00 0.00 O ATOM 920 CB CYS A 60 -12.844 -0.894 5.224 1.00 0.00 C ATOM 921 SG CYS A 60 -12.222 0.129 3.866 1.00 0.00 S ATOM 0 H CYS A 60 -14.752 0.484 4.985 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.224 -2.207 4.120 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.899 -0.284 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.126 -1.690 5.421 1.00 0.00 H new ATOM 926 N ASN A 61 -13.851 -3.405 6.484 1.00 0.00 N ATOM 927 CA ASN A 61 -13.826 -4.049 7.810 1.00 0.00 C ATOM 928 C ASN A 61 -12.631 -3.565 8.656 1.00 0.00 C ATOM 929 O ASN A 61 -11.715 -2.918 8.147 1.00 0.00 O ATOM 930 CB ASN A 61 -13.878 -5.584 7.660 1.00 0.00 C ATOM 931 CG ASN A 61 -12.632 -6.218 7.065 1.00 0.00 C ATOM 932 OD1 ASN A 61 -11.509 -5.865 7.375 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.777 -7.195 6.206 1.00 0.00 N ATOM 0 H ASN A 61 -13.219 -3.834 5.808 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.717 -3.749 8.361 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.056 -6.023 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.732 -5.843 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.956 -7.649 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.711 -7.502 5.936 1.00 0.00 H new ATOM 940 N GLU A 62 -12.617 -3.908 9.948 1.00 0.00 N ATOM 941 CA GLU A 62 -11.547 -3.530 10.890 1.00 0.00 C ATOM 942 C GLU A 62 -10.135 -3.946 10.439 1.00 0.00 C ATOM 943 O GLU A 62 -9.178 -3.190 10.628 1.00 0.00 O ATOM 944 CB GLU A 62 -11.842 -4.095 12.296 1.00 0.00 C ATOM 945 CG GLU A 62 -12.125 -5.608 12.326 1.00 0.00 C ATOM 946 CD GLU A 62 -11.913 -6.208 13.726 1.00 0.00 C ATOM 947 OE1 GLU A 62 -12.698 -5.905 14.656 1.00 0.00 O ATOM 948 OE2 GLU A 62 -10.957 -7.006 13.888 1.00 0.00 O ATOM 0 H GLU A 62 -13.356 -4.463 10.379 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.548 -2.440 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.992 -3.884 12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.700 -3.569 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.150 -5.791 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.473 -6.113 11.613 1.00 0.00 H new ATOM 955 N LYS A 63 -9.998 -5.124 9.813 1.00 0.00 N ATOM 956 CA LYS A 63 -8.703 -5.673 9.386 1.00 0.00 C ATOM 957 C LYS A 63 -8.137 -4.903 8.195 1.00 0.00 C ATOM 958 O LYS A 63 -6.934 -4.667 8.144 1.00 0.00 O ATOM 959 CB LYS A 63 -8.833 -7.177 9.069 1.00 0.00 C ATOM 960 CG LYS A 63 -9.040 -8.057 10.315 1.00 0.00 C ATOM 961 CD LYS A 63 -7.753 -8.222 11.143 1.00 0.00 C ATOM 962 CE LYS A 63 -7.963 -9.088 12.394 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.554 -8.327 13.528 1.00 0.00 N ATOM 0 H LYS A 63 -10.789 -5.727 9.587 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.998 -5.558 10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.671 -7.324 8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.935 -7.508 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.817 -7.617 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.398 -9.039 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.980 -8.671 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.390 -7.239 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.615 -9.926 12.145 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.007 -9.509 12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.627 -8.946 14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.947 -7.513 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.502 -7.990 13.263 1.00 0.00 H new ATOM 977 N GLN A 64 -8.995 -4.447 7.283 1.00 0.00 N ATOM 978 CA GLN A 64 -8.636 -3.517 6.210 1.00 0.00 C ATOM 979 C GLN A 64 -8.331 -2.109 6.745 1.00 0.00 C ATOM 980 O GLN A 64 -7.264 -1.577 6.446 1.00 0.00 O ATOM 981 CB GLN A 64 -9.766 -3.449 5.174 1.00 0.00 C ATOM 982 CG GLN A 64 -9.932 -4.757 4.395 1.00 0.00 C ATOM 983 CD GLN A 64 -10.856 -4.571 3.196 1.00 0.00 C ATOM 984 OE1 GLN A 64 -12.021 -4.209 3.315 1.00 0.00 O ATOM 985 NE2 GLN A 64 -10.345 -4.793 2.003 1.00 0.00 N ATOM 0 H GLN A 64 -9.978 -4.718 7.268 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.728 -3.894 5.740 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.702 -3.210 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.564 -2.637 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.957 -5.107 4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.336 -5.526 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.375 -5.094 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.919 -4.664 1.170 1.00 0.00 H new ATOM 994 N LYS A 65 -9.225 -1.528 7.563 1.00 0.00 N ATOM 995 CA LYS A 65 -9.063 -0.184 8.163 1.00 0.00 C ATOM 996 C LYS A 65 -7.734 -0.012 8.898 1.00 0.00 C ATOM 997 O LYS A 65 -7.029 0.966 8.661 1.00 0.00 O ATOM 998 CB LYS A 65 -10.220 0.178 9.120 1.00 0.00 C ATOM 999 CG LYS A 65 -11.548 0.454 8.397 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.424 1.547 9.037 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.219 1.111 10.275 1.00 0.00 C ATOM 1002 NZ LYS A 65 -12.429 1.185 11.533 1.00 0.00 N ATOM 0 H LYS A 65 -10.097 -1.983 7.833 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.076 0.500 7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.364 -0.637 9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.941 1.058 9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.331 0.740 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.121 -0.472 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.785 2.386 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.124 1.913 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.104 1.740 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.569 0.089 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.020 0.878 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.598 0.564 11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.116 2.164 11.689 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.375 -0.951 9.773 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.059 -0.948 10.426 1.00 0.00 C ATOM 1018 C GLU A 66 -4.944 -1.364 9.456 1.00 0.00 C ATOM 1019 O GLU A 66 -3.880 -0.747 9.444 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.067 -1.869 11.657 1.00 0.00 C ATOM 1021 CG GLU A 66 -6.936 -1.302 12.789 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.838 -2.168 14.060 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.802 -2.097 14.766 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.800 -2.909 14.379 1.00 0.00 O ATOM 0 H GLU A 66 -7.977 -1.727 10.049 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.854 0.073 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.439 -2.853 11.372 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.047 -2.005 12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.622 -0.283 13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.974 -1.250 12.462 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.196 -2.377 8.619 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.227 -2.997 7.716 1.00 0.00 C ATOM 1033 C GLY A 67 -3.618 -2.062 6.675 1.00 0.00 C ATOM 1034 O GLY A 67 -2.399 -2.031 6.532 1.00 0.00 O ATOM 0 H GLY A 67 -6.120 -2.803 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.421 -3.425 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.714 -3.823 7.198 1.00 0.00 H new ATOM 1038 N THR A 68 -4.413 -1.265 5.961 1.00 0.00 N ATOM 1039 CA THR A 68 -3.858 -0.278 5.018 1.00 0.00 C ATOM 1040 C THR A 68 -3.278 0.942 5.730 1.00 0.00 C ATOM 1041 O THR A 68 -2.216 1.415 5.331 1.00 0.00 O ATOM 1042 CB THR A 68 -4.888 0.184 3.984 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.064 0.645 4.608 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.220 -0.966 3.040 1.00 0.00 C ATOM 0 H THR A 68 -5.432 -1.278 6.012 1.00 0.00 H new ATOM 0 HA THR A 68 -3.052 -0.797 4.499 1.00 0.00 H new ATOM 0 HB THR A 68 -4.458 1.010 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.704 0.935 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.953 -0.634 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.314 -1.289 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.630 -1.799 3.611 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.912 1.424 6.811 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.449 2.586 7.596 1.00 0.00 C ATOM 1054 C LYS A 69 -2.058 2.373 8.203 1.00 0.00 C ATOM 1055 O LYS A 69 -1.192 3.236 8.066 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.500 2.923 8.668 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.166 4.203 9.454 1.00 0.00 C ATOM 1058 CD LYS A 69 -5.300 4.629 10.404 1.00 0.00 C ATOM 1059 CE LYS A 69 -5.610 3.626 11.529 1.00 0.00 C ATOM 1060 NZ LYS A 69 -4.522 3.550 12.541 1.00 0.00 N ATOM 0 H LYS A 69 -4.773 1.013 7.172 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.342 3.436 6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.473 3.039 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.583 2.087 9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.255 4.043 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.961 5.012 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.038 5.587 10.853 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.205 4.788 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.540 3.913 12.021 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.769 2.638 11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.779 2.861 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.639 3.250 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.386 4.485 12.975 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.808 1.211 8.820 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.466 0.832 9.305 1.00 0.00 C ATOM 1076 C LYS A 70 0.519 0.713 8.141 1.00 0.00 C ATOM 1077 O LYS A 70 1.620 1.252 8.207 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.525 -0.428 10.210 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.770 -1.752 9.467 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.175 -2.958 10.330 1.00 0.00 C ATOM 1081 CE LYS A 70 0.016 -3.578 11.076 1.00 0.00 C ATOM 1082 NZ LYS A 70 -0.394 -4.779 11.851 1.00 0.00 N ATOM 0 H LYS A 70 -2.524 0.507 8.999 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.084 1.629 9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.413 -0.506 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.316 -0.291 10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.550 -1.587 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.138 -2.011 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.929 -2.646 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.636 -3.715 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.792 -3.852 10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.450 -2.839 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.443 -5.361 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.839 -4.482 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.073 -5.336 11.294 1.00 0.00 H new ATOM 1096 N VAL A 71 0.141 0.042 7.055 1.00 0.00 N ATOM 1097 CA VAL A 71 1.037 -0.247 5.917 1.00 0.00 C ATOM 1098 C VAL A 71 1.474 1.015 5.186 1.00 0.00 C ATOM 1099 O VAL A 71 2.663 1.147 4.909 1.00 0.00 O ATOM 1100 CB VAL A 71 0.377 -1.271 4.980 1.00 0.00 C ATOM 1101 CG1 VAL A 71 1.049 -1.447 3.615 1.00 0.00 C ATOM 1102 CG2 VAL A 71 0.447 -2.618 5.700 1.00 0.00 C ATOM 0 H VAL A 71 -0.803 -0.324 6.931 1.00 0.00 H new ATOM 0 HA VAL A 71 1.955 -0.686 6.308 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.629 -0.908 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.504 -2.191 3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.044 -0.496 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.078 -1.779 3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.010 -3.387 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.489 -2.876 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.088 -2.553 6.647 1.00 0.00 H new ATOM 1112 N LEU A 72 0.577 1.982 4.987 1.00 0.00 N ATOM 1113 CA LEU A 72 0.889 3.310 4.449 1.00 0.00 C ATOM 1114 C LEU A 72 2.073 3.969 5.162 1.00 0.00 C ATOM 1115 O LEU A 72 2.960 4.492 4.490 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.410 4.143 4.410 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.362 5.659 4.672 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.655 6.250 4.124 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.337 5.985 6.169 1.00 0.00 C ATOM 0 H LEU A 72 -0.413 1.861 5.201 1.00 0.00 H new ATOM 0 HA LEU A 72 1.246 3.228 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.858 3.998 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.095 3.710 5.139 1.00 0.00 H new ATOM 0 HG LEU A 72 0.538 6.060 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.662 7.327 4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.724 6.047 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.506 5.799 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.303 7.066 6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.234 5.587 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.544 5.534 6.625 1.00 0.00 H new ATOM 1131 N LYS A 73 2.141 3.873 6.499 1.00 0.00 N ATOM 1132 CA LYS A 73 3.173 4.532 7.314 1.00 0.00 C ATOM 1133 C LYS A 73 4.535 3.846 7.160 1.00 0.00 C ATOM 1134 O LYS A 73 5.561 4.504 6.991 1.00 0.00 O ATOM 1135 CB LYS A 73 2.705 4.514 8.783 1.00 0.00 C ATOM 1136 CG LYS A 73 3.690 5.142 9.787 1.00 0.00 C ATOM 1137 CD LYS A 73 4.065 6.604 9.498 1.00 0.00 C ATOM 1138 CE LYS A 73 2.882 7.586 9.538 1.00 0.00 C ATOM 1139 NZ LYS A 73 2.280 7.699 10.897 1.00 0.00 N ATOM 0 H LYS A 73 1.475 3.331 7.049 1.00 0.00 H new ATOM 0 HA LYS A 73 3.305 5.560 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.754 5.041 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.519 3.481 9.077 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.255 5.084 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.602 4.544 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.812 6.925 10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.533 6.658 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.219 8.569 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.119 7.259 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.488 8.372 10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.933 6.767 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.999 8.037 11.568 1.00 0.00 H new ATOM 1153 N HIS A 74 4.539 2.513 7.178 1.00 0.00 N ATOM 1154 CA HIS A 74 5.731 1.690 6.929 1.00 0.00 C ATOM 1155 C HIS A 74 6.245 1.873 5.501 1.00 0.00 C ATOM 1156 O HIS A 74 7.444 2.039 5.320 1.00 0.00 O ATOM 1157 CB HIS A 74 5.453 0.204 7.207 1.00 0.00 C ATOM 1158 CG HIS A 74 5.083 -0.099 8.635 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.805 -0.060 9.136 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.894 -0.589 9.623 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.808 -0.556 10.381 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.082 -0.854 10.717 1.00 0.00 N ATOM 0 H HIS A 74 3.702 1.962 7.369 1.00 0.00 H new ATOM 0 HA HIS A 74 6.505 2.029 7.618 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.646 -0.131 6.556 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.338 -0.375 6.942 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.985 0.290 8.640 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.962 -0.740 9.563 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.940 -0.694 11.009 1.00 0.00 H new ATOM 1171 N LEU A 75 5.369 1.905 4.495 1.00 0.00 N ATOM 1172 CA LEU A 75 5.761 2.086 3.094 1.00 0.00 C ATOM 1173 C LEU A 75 6.484 3.423 2.882 1.00 0.00 C ATOM 1174 O LEU A 75 7.554 3.440 2.281 1.00 0.00 O ATOM 1175 CB LEU A 75 4.516 2.003 2.186 1.00 0.00 C ATOM 1176 CG LEU A 75 4.341 0.664 1.451 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.476 -0.558 2.365 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.972 0.654 0.771 1.00 0.00 C ATOM 0 H LEU A 75 4.363 1.806 4.629 1.00 0.00 H new ATOM 0 HA LEU A 75 6.455 1.288 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.629 2.187 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.569 2.803 1.447 1.00 0.00 H new ATOM 0 HG LEU A 75 5.146 0.587 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.341 -1.467 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.466 -0.564 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.717 -0.514 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.834 -0.291 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.191 0.768 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.913 1.477 0.059 1.00 0.00 H new ATOM 1190 N ILE A 76 5.965 4.530 3.422 1.00 0.00 N ATOM 1191 CA ILE A 76 6.644 5.835 3.339 1.00 0.00 C ATOM 1192 C ILE A 76 7.970 5.856 4.132 1.00 0.00 C ATOM 1193 O ILE A 76 8.942 6.463 3.684 1.00 0.00 O ATOM 1194 CB ILE A 76 5.651 6.970 3.696 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.163 8.382 3.365 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.095 6.947 5.125 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.933 9.099 4.483 1.00 0.00 C ATOM 0 H ILE A 76 5.076 4.553 3.922 1.00 0.00 H new ATOM 0 HA ILE A 76 6.957 6.015 2.310 1.00 0.00 H new ATOM 0 HB ILE A 76 4.818 6.737 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.810 8.316 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.310 9.000 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.412 7.785 5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.560 6.012 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.917 7.028 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.244 10.084 4.136 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.289 9.208 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.813 8.514 4.752 1.00 0.00 H new ATOM 1209 N ASN A 77 8.057 5.129 5.256 1.00 0.00 N ATOM 1210 CA ASN A 77 9.290 4.972 6.054 1.00 0.00 C ATOM 1211 C ASN A 77 10.368 4.065 5.418 1.00 0.00 C ATOM 1212 O ASN A 77 11.559 4.287 5.633 1.00 0.00 O ATOM 1213 CB ASN A 77 8.923 4.425 7.449 1.00 0.00 C ATOM 1214 CG ASN A 77 8.628 5.539 8.436 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.449 5.872 9.277 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.473 6.156 8.346 1.00 0.00 N ATOM 0 H ASN A 77 7.261 4.624 5.645 1.00 0.00 H new ATOM 0 HA ASN A 77 9.736 5.965 6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.053 3.774 7.366 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.743 3.814 7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.253 6.922 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.795 5.869 7.640 1.00 0.00 H new ATOM 1223 N HIS A 78 9.968 3.031 4.666 1.00 0.00 N ATOM 1224 CA HIS A 78 10.859 1.934 4.217 1.00 0.00 C ATOM 1225 C HIS A 78 11.025 1.803 2.699 1.00 0.00 C ATOM 1226 O HIS A 78 12.019 1.244 2.233 1.00 0.00 O ATOM 1227 CB HIS A 78 10.348 0.600 4.781 1.00 0.00 C ATOM 1228 CG HIS A 78 10.523 0.458 6.274 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.723 0.243 6.929 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.534 0.504 7.219 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.470 0.165 8.252 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.145 0.326 8.451 1.00 0.00 N ATOM 0 H HIS A 78 9.006 2.924 4.344 1.00 0.00 H new ATOM 0 HA HIS A 78 11.847 2.190 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.291 0.496 4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.872 -0.217 4.285 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.479 0.651 7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.207 0.001 9.025 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.673 0.318 9.355 1.00 0.00 H new ATOM 1241 N LYS A 79 10.084 2.342 1.928 1.00 0.00 N ATOM 1242 CA LYS A 79 10.078 2.405 0.460 1.00 0.00 C ATOM 1243 C LYS A 79 9.737 3.826 -0.016 1.00 0.00 C ATOM 1244 O LYS A 79 8.818 3.993 -0.810 1.00 0.00 O ATOM 1245 CB LYS A 79 9.122 1.318 -0.090 1.00 0.00 C ATOM 1246 CG LYS A 79 9.728 -0.088 -0.197 1.00 0.00 C ATOM 1247 CD LYS A 79 10.624 -0.272 -1.435 1.00 0.00 C ATOM 1248 CE LYS A 79 12.002 0.399 -1.302 1.00 0.00 C ATOM 1249 NZ LYS A 79 13.019 -0.228 -2.188 1.00 0.00 N ATOM 0 H LYS A 79 9.253 2.774 2.331 1.00 0.00 H new ATOM 0 HA LYS A 79 11.070 2.191 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.243 1.270 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.778 1.625 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.313 -0.293 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.923 -0.822 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.764 -1.338 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.113 0.136 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.914 1.458 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.336 0.337 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.932 0.256 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.123 -1.233 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.714 -0.146 -3.179 1.00 0.00 H new ATOM 1263 N PRO A 80 10.471 4.863 0.431 1.00 0.00 N ATOM 1264 CA PRO A 80 10.144 6.267 0.151 1.00 0.00 C ATOM 1265 C PRO A 80 10.137 6.595 -1.354 1.00 0.00 C ATOM 1266 O PRO A 80 9.244 7.290 -1.841 1.00 0.00 O ATOM 1267 CB PRO A 80 11.200 7.079 0.912 1.00 0.00 C ATOM 1268 CG PRO A 80 12.389 6.123 1.004 1.00 0.00 C ATOM 1269 CD PRO A 80 11.732 4.756 1.152 1.00 0.00 C ATOM 0 HA PRO A 80 9.131 6.506 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.461 7.994 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.845 7.374 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.015 6.174 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.027 6.356 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.360 3.969 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.567 4.509 2.201 1.00 0.00 H new ATOM 1277 N ASP A 81 11.097 6.047 -2.106 1.00 0.00 N ATOM 1278 CA ASP A 81 11.203 6.223 -3.563 1.00 0.00 C ATOM 1279 C ASP A 81 10.041 5.585 -4.355 1.00 0.00 C ATOM 1280 O ASP A 81 9.596 6.144 -5.359 1.00 0.00 O ATOM 1281 CB ASP A 81 12.548 5.644 -4.023 1.00 0.00 C ATOM 1282 CG ASP A 81 12.802 5.891 -5.521 1.00 0.00 C ATOM 1283 OD1 ASP A 81 13.142 7.040 -5.895 1.00 0.00 O ATOM 1284 OD2 ASP A 81 12.689 4.933 -6.321 1.00 0.00 O ATOM 0 H ASP A 81 11.834 5.460 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 81 11.142 7.291 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.353 6.092 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.568 4.573 -3.824 1.00 0.00 H new ATOM 1289 N VAL A 82 9.520 4.435 -3.903 1.00 0.00 N ATOM 1290 CA VAL A 82 8.334 3.789 -4.505 1.00 0.00 C ATOM 1291 C VAL A 82 7.032 4.412 -3.994 1.00 0.00 C ATOM 1292 O VAL A 82 6.113 4.643 -4.778 1.00 0.00 O ATOM 1293 CB VAL A 82 8.335 2.267 -4.289 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.088 1.632 -4.910 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.570 1.623 -4.934 1.00 0.00 C ATOM 0 H VAL A 82 9.906 3.923 -3.110 1.00 0.00 H new ATOM 0 HA VAL A 82 8.392 3.967 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 82 8.347 2.094 -3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.108 0.555 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.196 2.053 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.071 1.836 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.548 0.546 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.568 1.825 -6.005 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.473 2.040 -4.488 1.00 0.00 H new ATOM 1305 N TRP A 83 6.961 4.761 -2.708 1.00 0.00 N ATOM 1306 CA TRP A 83 5.859 5.530 -2.125 1.00 0.00 C ATOM 1307 C TRP A 83 5.559 6.807 -2.922 1.00 0.00 C ATOM 1308 O TRP A 83 4.399 7.056 -3.241 1.00 0.00 O ATOM 1309 CB TRP A 83 6.186 5.865 -0.663 1.00 0.00 C ATOM 1310 CG TRP A 83 5.379 6.998 -0.119 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.827 8.260 0.061 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.949 7.037 0.157 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.783 9.071 0.460 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.598 8.373 0.516 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.912 6.082 0.102 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.280 8.747 0.800 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.579 6.455 0.352 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.267 7.785 0.680 1.00 0.00 C ATOM 0 H TRP A 83 7.681 4.513 -2.030 1.00 0.00 H new ATOM 0 HA TRP A 83 4.959 4.916 -2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.017 4.981 -0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.245 6.111 -0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.847 8.585 -0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.878 10.061 0.685 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.144 5.054 -0.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 2.048 9.756 1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.793 5.717 0.292 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.238 8.069 0.841 1.00 0.00 H new ATOM 1329 N ALA A 84 6.584 7.563 -3.333 1.00 0.00 N ATOM 1330 CA ALA A 84 6.445 8.744 -4.190 1.00 0.00 C ATOM 1331 C ALA A 84 5.640 8.484 -5.481 1.00 0.00 C ATOM 1332 O ALA A 84 4.986 9.406 -5.970 1.00 0.00 O ATOM 1333 CB ALA A 84 7.849 9.279 -4.498 1.00 0.00 C ATOM 0 H ALA A 84 7.551 7.366 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 84 5.862 9.490 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.771 10.160 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.348 9.548 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.427 8.510 -5.010 1.00 0.00 H new ATOM 1339 N GLN A 85 5.643 7.251 -6.001 1.00 0.00 N ATOM 1340 CA GLN A 85 4.858 6.817 -7.166 1.00 0.00 C ATOM 1341 C GLN A 85 3.389 6.534 -6.810 1.00 0.00 C ATOM 1342 O GLN A 85 2.499 6.892 -7.579 1.00 0.00 O ATOM 1343 CB GLN A 85 5.506 5.575 -7.815 1.00 0.00 C ATOM 1344 CG GLN A 85 7.031 5.743 -7.939 1.00 0.00 C ATOM 1345 CD GLN A 85 7.698 4.805 -8.943 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.161 4.463 -9.988 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.908 4.362 -8.672 1.00 0.00 N ATOM 0 H GLN A 85 6.212 6.500 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 85 4.860 7.639 -7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.282 4.691 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.074 5.410 -8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.247 6.772 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.481 5.583 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.370 4.638 -7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.384 3.743 -9.329 1.00 0.00 H new ATOM 1356 N LEU A 86 3.128 5.958 -5.629 1.00 0.00 N ATOM 1357 CA LEU A 86 1.773 5.752 -5.070 1.00 0.00 C ATOM 1358 C LEU A 86 1.057 7.098 -4.926 1.00 0.00 C ATOM 1359 O LEU A 86 0.076 7.363 -5.623 1.00 0.00 O ATOM 1360 CB LEU A 86 1.890 5.038 -3.697 1.00 0.00 C ATOM 1361 CG LEU A 86 0.633 4.454 -3.022 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.377 5.515 -2.592 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.068 3.420 -3.895 1.00 0.00 C ATOM 0 H LEU A 86 3.867 5.612 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 86 1.187 5.127 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.603 4.222 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.332 5.749 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 86 1.011 3.967 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.235 5.032 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.090 6.194 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.708 6.077 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.947 3.040 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.374 3.883 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.615 2.597 -4.103 1.00 0.00 H new ATOM 1375 N LYS A 87 1.603 7.985 -4.083 1.00 0.00 N ATOM 1376 CA LYS A 87 1.029 9.310 -3.792 1.00 0.00 C ATOM 1377 C LYS A 87 0.863 10.191 -5.030 1.00 0.00 C ATOM 1378 O LYS A 87 -0.008 11.046 -5.049 1.00 0.00 O ATOM 1379 CB LYS A 87 1.810 10.064 -2.703 1.00 0.00 C ATOM 1380 CG LYS A 87 3.332 9.930 -2.827 1.00 0.00 C ATOM 1381 CD LYS A 87 4.113 11.153 -2.348 1.00 0.00 C ATOM 1382 CE LYS A 87 4.160 12.275 -3.392 1.00 0.00 C ATOM 1383 NZ LYS A 87 5.035 11.992 -4.563 1.00 0.00 N ATOM 0 H LYS A 87 2.469 7.801 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 87 0.029 9.098 -3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.543 11.120 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.501 9.694 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.656 9.060 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.584 9.738 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.658 11.533 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.131 10.853 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.148 12.465 -3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.505 13.189 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.869 12.706 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.032 12.025 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.816 11.048 -4.940 1.00 0.00 H new ATOM 1397 N ALA A 88 1.679 10.008 -6.064 1.00 0.00 N ATOM 1398 CA ALA A 88 1.605 10.821 -7.281 1.00 0.00 C ATOM 1399 C ALA A 88 0.289 10.626 -8.054 1.00 0.00 C ATOM 1400 O ALA A 88 -0.356 11.608 -8.426 1.00 0.00 O ATOM 1401 CB ALA A 88 2.805 10.499 -8.168 1.00 0.00 C ATOM 0 H ALA A 88 2.409 9.296 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 88 1.627 11.869 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.758 11.100 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.726 10.725 -7.631 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.789 9.441 -8.431 1.00 0.00 H new ATOM 1407 N LYS A 89 -0.132 9.372 -8.279 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.438 9.053 -8.888 1.00 0.00 C ATOM 1409 C LYS A 89 -2.597 9.075 -7.888 1.00 0.00 C ATOM 1410 O LYS A 89 -3.704 9.475 -8.250 1.00 0.00 O ATOM 1411 CB LYS A 89 -1.388 7.731 -9.674 1.00 0.00 C ATOM 1412 CG LYS A 89 -0.645 6.578 -8.978 1.00 0.00 C ATOM 1413 CD LYS A 89 -0.768 5.231 -9.709 1.00 0.00 C ATOM 1414 CE LYS A 89 -0.169 5.293 -11.122 1.00 0.00 C ATOM 1415 NZ LYS A 89 -0.219 3.977 -11.810 1.00 0.00 N ATOM 0 H LYS A 89 0.422 8.548 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.643 9.856 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.410 7.411 -9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.913 7.918 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.410 6.838 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.032 6.468 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.261 4.457 -9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.818 4.946 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.711 6.031 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.866 5.631 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.101 4.087 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.402 3.304 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.195 3.618 -11.802 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.355 8.664 -6.642 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.392 8.590 -5.602 1.00 0.00 C ATOM 1431 C TYR A 90 -3.698 9.957 -4.968 1.00 0.00 C ATOM 1432 O TYR A 90 -4.777 10.136 -4.403 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.992 7.568 -4.523 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.197 6.096 -4.876 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.156 5.623 -6.205 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.386 5.177 -3.828 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.271 4.250 -6.486 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.475 3.797 -4.103 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.422 3.328 -5.431 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.505 1.997 -5.695 1.00 0.00 O ATOM 0 H TYR A 90 -1.432 8.371 -6.321 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.310 8.260 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.940 7.719 -4.282 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.560 7.785 -3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.035 6.325 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.463 5.529 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.244 3.903 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.585 3.094 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.109 1.573 -5.050 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.780 10.923 -5.075 1.00 0.00 N ATOM 1451 CA ASP A 91 -2.918 12.276 -4.518 1.00 0.00 C ATOM 1452 C ASP A 91 -2.061 13.320 -5.281 1.00 0.00 C ATOM 1453 O ASP A 91 -1.091 13.862 -4.736 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.597 12.270 -3.014 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.021 13.598 -2.343 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.636 14.472 -3.004 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.701 13.787 -1.147 1.00 0.00 O ATOM 0 H ASP A 91 -1.896 10.783 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.956 12.581 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.111 11.437 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.528 12.112 -2.869 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.387 13.623 -6.555 1.00 0.00 N ATOM 1463 CA PRO A 92 -1.619 14.539 -7.413 1.00 0.00 C ATOM 1464 C PRO A 92 -1.506 15.996 -6.914 1.00 0.00 C ATOM 1465 O PRO A 92 -0.746 16.773 -7.494 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.285 14.463 -8.794 1.00 0.00 C ATOM 1467 CG PRO A 92 -3.705 14.010 -8.474 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.495 13.054 -7.306 1.00 0.00 C ATOM 0 HA PRO A 92 -0.577 14.219 -7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.275 15.429 -9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.775 13.756 -9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.346 14.848 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.173 13.514 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.392 12.978 -6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.261 12.048 -7.655 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.214 16.378 -5.844 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.122 17.700 -5.195 1.00 0.00 C ATOM 1478 C ASP A 93 -1.482 17.641 -3.788 1.00 0.00 C ATOM 1479 O ASP A 93 -1.225 18.675 -3.166 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.531 18.317 -5.142 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.550 19.857 -5.040 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -2.603 20.532 -5.515 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -4.565 20.418 -4.558 1.00 0.00 O ATOM 0 H ASP A 93 -2.887 15.761 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.458 18.328 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.079 18.018 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.064 17.902 -4.287 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.201 16.433 -3.284 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.600 16.168 -1.968 1.00 0.00 C ATOM 1490 C GLY A 94 -1.474 16.526 -0.752 1.00 0.00 C ATOM 1491 O GLY A 94 -0.977 16.495 0.377 1.00 0.00 O ATOM 0 H GLY A 94 -1.394 15.576 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.346 15.109 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.335 16.724 -1.897 1.00 0.00 H new ATOM 1495 N THR A 95 -2.744 16.891 -0.959 1.00 0.00 N ATOM 1496 CA THR A 95 -3.641 17.502 0.045 1.00 0.00 C ATOM 1497 C THR A 95 -3.855 16.659 1.308 1.00 0.00 C ATOM 1498 O THR A 95 -4.075 17.222 2.384 1.00 0.00 O ATOM 1499 CB THR A 95 -5.005 17.828 -0.594 1.00 0.00 C ATOM 1500 OG1 THR A 95 -4.798 18.555 -1.786 1.00 0.00 O ATOM 1501 CG2 THR A 95 -5.908 18.695 0.287 1.00 0.00 C ATOM 0 H THR A 95 -3.199 16.767 -1.863 1.00 0.00 H new ATOM 0 HA THR A 95 -3.136 18.411 0.372 1.00 0.00 H new ATOM 0 HB THR A 95 -5.493 16.867 -0.755 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.663 18.763 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.849 18.882 -0.230 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.106 18.177 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.413 19.644 0.493 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.744 15.330 1.217 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.907 14.405 2.350 1.00 0.00 C ATOM 1511 C TYR A 96 -2.740 13.419 2.499 1.00 0.00 C ATOM 1512 O TYR A 96 -2.498 12.950 3.610 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.273 13.703 2.296 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.724 13.336 0.901 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.193 12.200 0.266 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.602 14.191 0.209 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.535 11.925 -1.068 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.941 13.920 -1.128 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.410 12.782 -1.773 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.732 12.514 -3.069 1.00 0.00 O ATOM 0 H TYR A 96 -3.535 14.855 0.339 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.884 15.008 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.228 12.798 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.022 14.353 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.525 11.542 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.016 15.056 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.127 11.053 -1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.607 14.582 -1.661 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.158 11.795 -3.407 1.00 0.00 H new ATOM 1530 N SER A 97 -1.944 13.187 1.450 1.00 0.00 N ATOM 1531 CA SER A 97 -0.653 12.484 1.514 1.00 0.00 C ATOM 1532 C SER A 97 0.279 13.121 2.552 1.00 0.00 C ATOM 1533 O SER A 97 0.855 12.436 3.404 1.00 0.00 O ATOM 1534 CB SER A 97 -0.005 12.521 0.122 1.00 0.00 C ATOM 1535 OG SER A 97 1.276 11.924 0.109 1.00 0.00 O ATOM 0 H SER A 97 -2.184 13.490 0.506 1.00 0.00 H new ATOM 0 HA SER A 97 -0.824 11.452 1.821 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.650 12.006 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.076 13.556 -0.211 1.00 0.00 H new ATOM 0 HG SER A 97 1.963 12.623 0.097 1.00 0.00 H new ATOM 1541 N LYS A 98 0.368 14.462 2.547 1.00 0.00 N ATOM 1542 CA LYS A 98 1.249 15.229 3.439 1.00 0.00 C ATOM 1543 C LYS A 98 1.002 15.016 4.937 1.00 0.00 C ATOM 1544 O LYS A 98 1.944 15.168 5.714 1.00 0.00 O ATOM 1545 CB LYS A 98 1.213 16.723 3.075 1.00 0.00 C ATOM 1546 CG LYS A 98 2.062 17.002 1.825 1.00 0.00 C ATOM 1547 CD LYS A 98 2.129 18.504 1.525 1.00 0.00 C ATOM 1548 CE LYS A 98 3.086 18.758 0.355 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.243 20.212 0.084 1.00 0.00 N ATOM 0 H LYS A 98 -0.177 15.049 1.915 1.00 0.00 H new ATOM 0 HA LYS A 98 2.250 14.833 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.183 17.034 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.585 17.315 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.069 16.612 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.638 16.476 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.135 18.880 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.468 19.046 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.059 18.321 0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.710 18.259 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.897 20.348 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.318 20.623 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.625 20.683 0.929 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.204 14.601 5.351 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.565 14.323 6.760 1.00 0.00 C ATOM 1565 C LYS A 99 0.347 13.293 7.448 1.00 0.00 C ATOM 1566 O LYS A 99 0.490 13.331 8.671 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.037 13.896 6.858 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.985 15.024 6.413 1.00 0.00 C ATOM 1569 CD LYS A 99 -4.455 14.728 6.734 1.00 0.00 C ATOM 1570 CE LYS A 99 -4.689 14.765 8.252 1.00 0.00 C ATOM 1571 NZ LYS A 99 -6.122 14.577 8.595 1.00 0.00 N ATOM 0 H LYS A 99 -0.978 14.444 4.705 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.415 15.257 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.203 13.015 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.266 13.611 7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.691 15.953 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.877 15.181 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.096 15.460 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.730 13.749 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.096 13.986 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.342 15.719 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.239 14.608 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.685 15.335 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.447 13.656 8.238 1.00 0.00 H new ATOM 1585 N TYR A 100 0.982 12.407 6.676 1.00 0.00 N ATOM 1586 CA TYR A 100 1.898 11.360 7.155 1.00 0.00 C ATOM 1587 C TYR A 100 3.179 11.234 6.305 1.00 0.00 C ATOM 1588 O TYR A 100 4.187 10.747 6.810 1.00 0.00 O ATOM 1589 CB TYR A 100 1.143 10.028 7.268 1.00 0.00 C ATOM 1590 CG TYR A 100 0.259 9.761 6.073 1.00 0.00 C ATOM 1591 CD1 TYR A 100 -1.056 10.261 6.055 1.00 0.00 C ATOM 1592 CD2 TYR A 100 0.786 9.123 4.940 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -1.825 10.183 4.884 1.00 0.00 C ATOM 1594 CE2 TYR A 100 0.011 9.028 3.778 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.289 9.573 3.729 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.043 9.442 2.605 1.00 0.00 O ATOM 0 H TYR A 100 0.870 12.396 5.662 1.00 0.00 H new ATOM 0 HA TYR A 100 2.248 11.653 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.861 9.215 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.534 10.035 8.172 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -1.475 10.706 6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.783 8.708 4.964 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.826 10.589 4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.414 8.531 2.908 1.00 0.00 H new ATOM 0 HH TYR A 100 -1.516 9.001 1.907 1.00 0.00 H new ATOM 1606 N GLU A 101 3.200 11.722 5.060 1.00 0.00 N ATOM 1607 CA GLU A 101 4.431 11.892 4.269 1.00 0.00 C ATOM 1608 C GLU A 101 5.420 12.872 4.936 1.00 0.00 C ATOM 1609 O GLU A 101 6.619 12.589 5.030 1.00 0.00 O ATOM 1610 CB GLU A 101 4.028 12.364 2.865 1.00 0.00 C ATOM 1611 CG GLU A 101 5.179 12.589 1.876 1.00 0.00 C ATOM 1612 CD GLU A 101 4.710 13.247 0.556 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.493 13.502 0.368 1.00 0.00 O ATOM 1614 OE2 GLU A 101 5.578 13.501 -0.312 1.00 0.00 O ATOM 0 H GLU A 101 2.357 12.014 4.565 1.00 0.00 H new ATOM 0 HA GLU A 101 4.958 10.940 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.346 11.629 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.471 13.296 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.936 13.219 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.653 11.633 1.653 1.00 0.00 H new ATOM 1621 N ASP A 102 4.922 13.995 5.474 1.00 0.00 N ATOM 1622 CA ASP A 102 5.732 14.993 6.192 1.00 0.00 C ATOM 1623 C ASP A 102 6.374 14.444 7.480 1.00 0.00 C ATOM 1624 O ASP A 102 7.350 15.020 7.970 1.00 0.00 O ATOM 1625 CB ASP A 102 4.909 16.252 6.523 1.00 0.00 C ATOM 1626 CG ASP A 102 4.573 17.153 5.318 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.075 16.920 4.192 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.843 18.154 5.519 1.00 0.00 O ATOM 0 H ASP A 102 3.933 14.240 5.423 1.00 0.00 H new ATOM 0 HA ASP A 102 6.541 15.256 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.977 15.943 6.996 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.458 16.843 7.256 1.00 0.00 H new ATOM 1633 N ARG A 103 5.844 13.340 8.038 1.00 0.00 N ATOM 1634 CA ARG A 103 6.397 12.661 9.224 1.00 0.00 C ATOM 1635 C ARG A 103 7.863 12.252 9.043 1.00 0.00 C ATOM 1636 O ARG A 103 8.609 12.230 10.020 1.00 0.00 O ATOM 1637 CB ARG A 103 5.530 11.434 9.584 1.00 0.00 C ATOM 1638 CG ARG A 103 5.610 11.017 11.062 1.00 0.00 C ATOM 1639 CD ARG A 103 4.930 12.031 11.994 1.00 0.00 C ATOM 1640 NE ARG A 103 4.920 11.558 13.393 1.00 0.00 N ATOM 1641 CZ ARG A 103 4.333 12.149 14.419 1.00 0.00 C ATOM 1642 NH1 ARG A 103 3.672 13.267 14.292 1.00 0.00 N ATOM 1643 NH2 ARG A 103 4.397 11.624 15.609 1.00 0.00 N ATOM 0 H ARG A 103 5.006 12.888 7.672 1.00 0.00 H new ATOM 0 HA ARG A 103 6.373 13.377 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 103 4.491 11.652 9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.837 10.592 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.141 10.041 11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.656 10.907 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.451 12.987 11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.907 12.205 11.660 1.00 0.00 H new ATOM 0 HE ARG A 103 5.416 10.688 13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.596 13.713 13.378 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.232 13.694 15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.903 10.750 15.754 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.941 12.086 16.396 1.00 0.00 H new ATOM 1657 N GLU A 104 8.281 11.991 7.799 1.00 0.00 N ATOM 1658 CA GLU A 104 9.654 11.589 7.460 1.00 0.00 C ATOM 1659 C GLU A 104 10.321 12.521 6.432 1.00 0.00 C ATOM 1660 O GLU A 104 11.479 12.896 6.623 1.00 0.00 O ATOM 1661 CB GLU A 104 9.691 10.148 6.918 1.00 0.00 C ATOM 1662 CG GLU A 104 8.769 9.121 7.591 1.00 0.00 C ATOM 1663 CD GLU A 104 8.908 9.006 9.123 1.00 0.00 C ATOM 1664 OE1 GLU A 104 10.014 9.226 9.677 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.887 8.664 9.770 1.00 0.00 O ATOM 0 H GLU A 104 7.667 12.054 6.987 1.00 0.00 H new ATOM 0 HA GLU A 104 10.216 11.656 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.444 10.180 5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.716 9.784 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.736 9.377 7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.963 8.142 7.152 1.00 0.00 H new ATOM 1672 N LYS A 105 9.601 12.901 5.358 1.00 0.00 N ATOM 1673 CA LYS A 105 10.093 13.690 4.203 1.00 0.00 C ATOM 1674 C LYS A 105 11.495 13.278 3.693 1.00 0.00 C ATOM 1675 O LYS A 105 12.293 14.111 3.264 1.00 0.00 O ATOM 1676 CB LYS A 105 9.971 15.192 4.544 1.00 0.00 C ATOM 1677 CG LYS A 105 9.847 16.086 3.296 1.00 0.00 C ATOM 1678 CD LYS A 105 9.962 17.571 3.669 1.00 0.00 C ATOM 1679 CE LYS A 105 9.909 18.436 2.404 1.00 0.00 C ATOM 1680 NZ LYS A 105 10.114 19.875 2.717 1.00 0.00 N ATOM 0 H LYS A 105 8.615 12.657 5.264 1.00 0.00 H new ATOM 0 HA LYS A 105 9.459 13.467 3.345 1.00 0.00 H new ATOM 0 HB2 LYS A 105 9.100 15.344 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.844 15.500 5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.626 15.826 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.890 15.903 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.152 17.849 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.896 17.749 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.674 18.103 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.945 18.304 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 10.072 20.431 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.370 20.198 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 11.044 20.004 3.164 1.00 0.00 H new ATOM 1694 N GLU A 106 11.828 11.986 3.761 1.00 0.00 N ATOM 1695 CA GLU A 106 13.187 11.451 3.541 1.00 0.00 C ATOM 1696 C GLU A 106 13.582 11.296 2.053 1.00 0.00 C ATOM 1697 O GLU A 106 14.075 10.257 1.611 1.00 0.00 O ATOM 1698 CB GLU A 106 13.420 10.195 4.402 1.00 0.00 C ATOM 1699 CG GLU A 106 12.488 9.004 4.137 1.00 0.00 C ATOM 1700 CD GLU A 106 12.926 7.808 5.003 1.00 0.00 C ATOM 1701 OE1 GLU A 106 13.821 7.040 4.574 1.00 0.00 O ATOM 1702 OE2 GLU A 106 12.405 7.652 6.134 1.00 0.00 O ATOM 0 H GLU A 106 11.146 11.259 3.976 1.00 0.00 H new ATOM 0 HA GLU A 106 13.890 12.208 3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.448 9.864 4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.325 10.477 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.458 9.276 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.518 8.733 3.082 1.00 0.00 H new ATOM 1709 N LEU A 107 13.364 12.353 1.262 1.00 0.00 N ATOM 1710 CA LEU A 107 13.781 12.460 -0.146 1.00 0.00 C ATOM 1711 C LEU A 107 15.317 12.458 -0.328 1.00 0.00 C ATOM 1712 O LEU A 107 15.816 12.058 -1.383 1.00 0.00 O ATOM 1713 CB LEU A 107 13.184 13.752 -0.741 1.00 0.00 C ATOM 1714 CG LEU A 107 11.643 13.836 -0.738 1.00 0.00 C ATOM 1715 CD1 LEU A 107 11.204 15.209 -1.247 1.00 0.00 C ATOM 1716 CD2 LEU A 107 11.000 12.767 -1.624 1.00 0.00 C ATOM 0 H LEU A 107 12.877 13.186 1.593 1.00 0.00 H new ATOM 0 HA LEU A 107 13.409 11.579 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.578 14.603 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 107 13.534 13.853 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 107 11.316 13.673 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 107 10.116 15.267 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 107 11.610 15.985 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 107 11.573 15.356 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.915 12.869 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.342 12.892 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.284 11.778 -1.265 1.00 0.00 H new ATOM 1728 N HIS A 108 16.063 12.911 0.688 1.00 0.00 N ATOM 1729 CA HIS A 108 17.536 12.952 0.723 1.00 0.00 C ATOM 1730 C HIS A 108 18.170 11.576 1.032 1.00 0.00 C ATOM 1731 O HIS A 108 17.474 10.621 1.391 1.00 0.00 O ATOM 1732 CB HIS A 108 17.977 14.011 1.755 1.00 0.00 C ATOM 1733 CG HIS A 108 17.391 15.386 1.522 1.00 0.00 C ATOM 1734 ND1 HIS A 108 16.856 16.218 2.492 1.00 0.00 N ATOM 1735 CD2 HIS A 108 17.311 16.044 0.323 1.00 0.00 C ATOM 1736 CE1 HIS A 108 16.454 17.358 1.892 1.00 0.00 C ATOM 1737 NE2 HIS A 108 16.719 17.270 0.572 1.00 0.00 N ATOM 0 H HIS A 108 15.643 13.274 1.544 1.00 0.00 H new ATOM 0 HA HIS A 108 17.893 13.224 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 108 17.693 13.671 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 108 19.064 14.085 1.741 1.00 0.00 H new ATOM 0 HD2 HIS A 108 17.646 15.676 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 108 15.996 18.202 2.387 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.517 17.987 -0.125 1.00 0.00 H new ATOM 1746 N GLN A 109 19.503 11.494 0.933 1.00 0.00 N ATOM 1747 CA GLN A 109 20.331 10.308 1.233 1.00 0.00 C ATOM 1748 C GLN A 109 21.659 10.671 1.927 1.00 0.00 C ATOM 1749 O GLN A 109 22.153 11.809 1.745 1.00 0.00 O ATOM 1750 CB GLN A 109 20.555 9.481 -0.050 1.00 0.00 C ATOM 1751 CG GLN A 109 21.368 10.206 -1.142 1.00 0.00 C ATOM 1752 CD GLN A 109 21.548 9.371 -2.417 1.00 0.00 C ATOM 1753 OE1 GLN A 109 21.737 8.159 -2.398 1.00 0.00 O ATOM 1754 NE2 GLN A 109 21.497 9.978 -3.587 1.00 0.00 N ATOM 1755 OXT GLN A 109 22.190 9.816 2.670 1.00 0.00 O ATOM 0 H GLN A 109 20.065 12.288 0.627 1.00 0.00 H new ATOM 0 HA GLN A 109 19.785 9.693 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.068 8.556 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.585 9.202 -0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.870 11.142 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 109 22.349 10.465 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 109 21.341 10.985 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 109 21.613 9.440 -4.446 1.00 0.00 H new TER 1764 GLN A 109