USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 64 ASN : amide:sc= 0.901 K(o=2.9,f=-1.3!) USER MOD Set 1.2: A 68 THR OG1 : rot 85:sc= 2.03 USER MOD Set 2.1: A 57 LYS NZ :NH3+ 166:sc= 1.77 (180deg=1.19) USER MOD Set 2.2: A 61 SER OG : rot -90:sc= 0.482 USER MOD Set 3.1: A 10 TYR OH : rot -30:sc= 0.127 USER MOD Set 3.2: A 12 ASN : amide:sc= 0.875 K(o=1.8,f=-1.4!) USER MOD Set 3.3: A 51 GLN : amide:sc= 0.809 K(o=1.8,f=-1.4) USER MOD Set 4.1: A 6 ASN : amide:sc= -0.499 K(o=0.078,f=1.2) USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0.577 USER MOD Single : A 7 GLN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 13 ASN : amide:sc= 0.849 K(o=0.85,f=-0.46) USER MOD Single : A 15 ASN : amide:sc= 1.1 K(o=1.1,f=-7.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.14) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 82:sc= 1.3 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.204 USER MOD Single : A 33 GLN : amide:sc= 1.03 K(o=1,f=-0.4) USER MOD Single : A 36 GLN : amide:sc= 0.951 K(o=0.95,f=-0.15) USER MOD Single : A 63 SER OG : rot 87:sc= 1.16 USER MOD Single : A 69 MET CE :methyl 175:sc= -1.32 (180deg=-1.51) USER MOD Single : A 70 GLN : amide:sc= 0.466 K(o=0.47,f=-3.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 144:sc= 1.25 (180deg=0.722) USER MOD Single : A 79 MET CE :methyl 152:sc= -0.166 (180deg=-1.19) USER MOD Single : A 80 GLN : amide:sc= 0.887 K(o=0.89,f=-0.023) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.931 -21.615 -4.502 1.00 0.00 N ATOM 72 CA PRO A 5 10.384 -21.491 -4.602 1.00 0.00 C ATOM 73 C PRO A 5 10.897 -21.377 -6.045 1.00 0.00 C ATOM 74 O PRO A 5 12.105 -21.268 -6.236 1.00 0.00 O ATOM 75 CB PRO A 5 10.902 -22.761 -3.915 1.00 0.00 C ATOM 76 CG PRO A 5 9.867 -23.800 -4.326 1.00 0.00 C ATOM 77 CD PRO A 5 8.570 -23.000 -4.215 1.00 0.00 C ATOM 0 HA PRO A 5 10.738 -20.571 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.903 -23.028 -4.255 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.954 -22.645 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.036 -24.169 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.872 -24.667 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.824 -23.364 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.137 -23.093 -3.219 1.00 0.00 H new ATOM 85 N ASN A 6 10.020 -21.451 -7.058 1.00 0.00 N ATOM 86 CA ASN A 6 10.388 -21.539 -8.476 1.00 0.00 C ATOM 87 C ASN A 6 11.504 -20.548 -8.845 1.00 0.00 C ATOM 88 O ASN A 6 11.416 -19.369 -8.498 1.00 0.00 O ATOM 89 CB ASN A 6 9.145 -21.293 -9.342 1.00 0.00 C ATOM 90 CG ASN A 6 9.523 -21.231 -10.816 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.791 -22.252 -11.439 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.616 -20.044 -11.387 1.00 0.00 N ATOM 0 H ASN A 6 9.011 -21.451 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 6 10.776 -22.540 -8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.419 -22.090 -9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 6 8.666 -20.360 -9.044 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.914 -19.968 -12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.390 -19.203 -10.856 1.00 0.00 H new ATOM 99 N GLN A 7 12.529 -21.017 -9.575 1.00 0.00 N ATOM 100 CA GLN A 7 13.756 -20.248 -9.799 1.00 0.00 C ATOM 101 C GLN A 7 13.581 -18.974 -10.644 1.00 0.00 C ATOM 102 O GLN A 7 14.486 -18.140 -10.672 1.00 0.00 O ATOM 103 CB GLN A 7 14.900 -21.145 -10.308 1.00 0.00 C ATOM 104 CG GLN A 7 14.781 -21.587 -11.774 1.00 0.00 C ATOM 105 CD GLN A 7 15.874 -22.593 -12.148 1.00 0.00 C ATOM 106 OE1 GLN A 7 15.592 -23.744 -12.474 1.00 0.00 O ATOM 107 NE2 GLN A 7 17.139 -22.204 -12.102 1.00 0.00 N ATOM 0 H GLN A 7 12.528 -21.934 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 7 14.038 -19.870 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.842 -20.612 -10.181 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.950 -22.034 -9.680 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.801 -22.034 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 7 14.850 -20.715 -12.425 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.369 -21.248 -11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.883 -22.860 -12.338 1.00 0.00 H new ATOM 116 N THR A 8 12.447 -18.822 -11.327 1.00 0.00 N ATOM 117 CA THR A 8 12.073 -17.637 -12.089 1.00 0.00 C ATOM 118 C THR A 8 11.246 -16.746 -11.150 1.00 0.00 C ATOM 119 O THR A 8 10.240 -17.210 -10.592 1.00 0.00 O ATOM 120 CB THR A 8 11.226 -18.049 -13.320 1.00 0.00 C ATOM 121 OG1 THR A 8 11.322 -19.438 -13.621 1.00 0.00 O ATOM 122 CG2 THR A 8 11.570 -17.264 -14.586 1.00 0.00 C ATOM 0 H THR A 8 11.736 -19.553 -11.364 1.00 0.00 H new ATOM 0 HA THR A 8 12.954 -17.107 -12.450 1.00 0.00 H new ATOM 0 HB THR A 8 10.205 -17.811 -13.022 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.768 -19.642 -14.403 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.939 -17.604 -15.408 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.399 -16.201 -14.413 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.617 -17.426 -14.841 1.00 0.00 H new ATOM 130 N ILE A 9 11.643 -15.480 -10.992 1.00 0.00 N ATOM 131 CA ILE A 9 10.932 -14.495 -10.183 1.00 0.00 C ATOM 132 C ILE A 9 10.561 -13.296 -11.061 1.00 0.00 C ATOM 133 O ILE A 9 11.171 -13.047 -12.105 1.00 0.00 O ATOM 134 CB ILE A 9 11.717 -14.113 -8.899 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.940 -13.216 -9.187 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.126 -15.369 -8.103 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.634 -12.680 -7.926 1.00 0.00 C ATOM 0 H ILE A 9 12.484 -15.107 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 9 10.005 -14.932 -9.812 1.00 0.00 H new ATOM 0 HB ILE A 9 11.037 -13.522 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.663 -13.783 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.623 -12.373 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.674 -15.071 -7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.233 -15.923 -7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.760 -16.002 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.483 -12.059 -8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.928 -12.084 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.985 -13.516 -7.321 1.00 0.00 H new ATOM 149 N TYR A 10 9.578 -12.532 -10.595 1.00 0.00 N ATOM 150 CA TYR A 10 8.888 -11.469 -11.303 1.00 0.00 C ATOM 151 C TYR A 10 8.864 -10.275 -10.362 1.00 0.00 C ATOM 152 O TYR A 10 8.431 -10.405 -9.217 1.00 0.00 O ATOM 153 CB TYR A 10 7.485 -12.003 -11.630 1.00 0.00 C ATOM 154 CG TYR A 10 6.456 -11.059 -12.227 1.00 0.00 C ATOM 155 CD1 TYR A 10 6.810 -10.080 -13.178 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.100 -11.248 -11.896 1.00 0.00 C ATOM 157 CE1 TYR A 10 5.812 -9.317 -13.811 1.00 0.00 C ATOM 158 CE2 TYR A 10 4.097 -10.488 -12.522 1.00 0.00 C ATOM 159 CZ TYR A 10 4.449 -9.529 -13.498 1.00 0.00 C ATOM 160 OH TYR A 10 3.485 -8.816 -14.144 1.00 0.00 O ATOM 0 H TYR A 10 9.221 -12.651 -9.647 1.00 0.00 H new ATOM 0 HA TYR A 10 9.361 -11.162 -12.236 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.604 -12.838 -12.320 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.065 -12.408 -10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.849 -9.916 -13.421 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.828 -11.984 -11.154 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.087 -8.567 -14.538 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.060 -10.637 -12.258 1.00 0.00 H new ATOM 0 HH TYR A 10 3.841 -7.938 -14.396 1.00 0.00 H new ATOM 170 N ILE A 11 9.373 -9.138 -10.829 1.00 0.00 N ATOM 171 CA ILE A 11 9.543 -7.907 -10.069 1.00 0.00 C ATOM 172 C ILE A 11 8.610 -6.891 -10.718 1.00 0.00 C ATOM 173 O ILE A 11 8.485 -6.841 -11.944 1.00 0.00 O ATOM 174 CB ILE A 11 11.033 -7.472 -10.097 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.889 -8.469 -9.277 1.00 0.00 C ATOM 176 CG2 ILE A 11 11.229 -6.034 -9.569 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.404 -8.277 -9.414 1.00 0.00 C ATOM 0 H ILE A 11 9.693 -9.048 -11.793 1.00 0.00 H new ATOM 0 HA ILE A 11 9.291 -8.018 -9.014 1.00 0.00 H new ATOM 0 HB ILE A 11 11.361 -7.480 -11.137 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.619 -8.379 -8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.636 -9.483 -9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.287 -5.773 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.661 -5.339 -10.187 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.878 -5.974 -8.539 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.921 -9.019 -8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.693 -8.399 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.676 -7.277 -9.076 1.00 0.00 H new ATOM 189 N ASN A 12 7.959 -6.078 -9.894 1.00 0.00 N ATOM 190 CA ASN A 12 6.939 -5.123 -10.282 1.00 0.00 C ATOM 191 C ASN A 12 7.054 -3.875 -9.410 1.00 0.00 C ATOM 192 O ASN A 12 7.810 -3.862 -8.433 1.00 0.00 O ATOM 193 CB ASN A 12 5.548 -5.769 -10.158 1.00 0.00 C ATOM 194 CG ASN A 12 4.747 -5.474 -11.414 1.00 0.00 C ATOM 195 OD1 ASN A 12 4.239 -4.372 -11.591 1.00 0.00 O ATOM 196 ND2 ASN A 12 4.690 -6.430 -12.323 1.00 0.00 N ATOM 0 H ASN A 12 8.140 -6.070 -8.890 1.00 0.00 H new ATOM 0 HA ASN A 12 7.081 -4.828 -11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.645 -6.846 -10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.030 -5.380 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.211 -6.264 -13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.125 -7.334 -12.140 1.00 0.00 H new ATOM 203 N ASN A 13 6.286 -2.834 -9.751 1.00 0.00 N ATOM 204 CA ASN A 13 6.409 -1.484 -9.184 1.00 0.00 C ATOM 205 C ASN A 13 7.857 -0.966 -9.269 1.00 0.00 C ATOM 206 O ASN A 13 8.335 -0.230 -8.404 1.00 0.00 O ATOM 207 CB ASN A 13 5.819 -1.423 -7.762 1.00 0.00 C ATOM 208 CG ASN A 13 5.620 0.019 -7.296 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.042 0.839 -8.006 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.057 0.361 -6.097 1.00 0.00 N ATOM 0 H ASN A 13 5.543 -2.908 -10.446 1.00 0.00 H new ATOM 0 HA ASN A 13 5.813 -0.801 -9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.864 -1.948 -7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.483 -1.941 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.916 1.311 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.536 -0.325 -5.514 1.00 0.00 H new ATOM 217 N LEU A 14 8.580 -1.408 -10.302 1.00 0.00 N ATOM 218 CA LEU A 14 9.967 -1.051 -10.575 1.00 0.00 C ATOM 219 C LEU A 14 9.968 0.423 -10.994 1.00 0.00 C ATOM 220 O LEU A 14 9.091 0.830 -11.760 1.00 0.00 O ATOM 221 CB LEU A 14 10.459 -1.981 -11.702 1.00 0.00 C ATOM 222 CG LEU A 14 11.966 -2.270 -11.770 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.175 -3.351 -12.839 1.00 0.00 C ATOM 224 CD2 LEU A 14 12.817 -1.046 -12.122 1.00 0.00 C ATOM 0 H LEU A 14 8.196 -2.049 -10.996 1.00 0.00 H new ATOM 0 HA LEU A 14 10.630 -1.170 -9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.937 -2.933 -11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.156 -1.546 -12.654 1.00 0.00 H new ATOM 0 HG LEU A 14 12.291 -2.588 -10.779 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.237 -3.585 -12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.625 -4.250 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.812 -2.987 -13.800 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.869 -1.330 -12.151 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.518 -0.663 -13.098 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.671 -0.272 -11.368 1.00 0.00 H new ATOM 236 N ASN A 15 10.907 1.231 -10.492 1.00 0.00 N ATOM 237 CA ASN A 15 11.031 2.620 -10.931 1.00 0.00 C ATOM 238 C ASN A 15 11.449 2.640 -12.396 1.00 0.00 C ATOM 239 O ASN A 15 12.592 2.340 -12.740 1.00 0.00 O ATOM 240 CB ASN A 15 11.994 3.430 -10.053 1.00 0.00 C ATOM 241 CG ASN A 15 11.907 4.924 -10.377 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.630 5.330 -11.501 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.113 5.778 -9.393 1.00 0.00 N ATOM 0 H ASN A 15 11.587 0.948 -9.786 1.00 0.00 H new ATOM 0 HA ASN A 15 10.061 3.106 -10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.757 3.268 -9.002 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.015 3.080 -10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.042 6.781 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.343 5.435 -8.460 1.00 0.00 H new ATOM 250 N GLU A 16 10.511 2.999 -13.262 1.00 0.00 N ATOM 251 CA GLU A 16 10.648 2.979 -14.702 1.00 0.00 C ATOM 252 C GLU A 16 11.720 3.939 -15.237 1.00 0.00 C ATOM 253 O GLU A 16 12.063 3.849 -16.415 1.00 0.00 O ATOM 254 CB GLU A 16 9.269 3.211 -15.348 1.00 0.00 C ATOM 255 CG GLU A 16 8.671 4.625 -15.189 1.00 0.00 C ATOM 256 CD GLU A 16 8.251 5.037 -13.759 1.00 0.00 C ATOM 257 OE1 GLU A 16 8.025 4.169 -12.883 1.00 0.00 O ATOM 258 OE2 GLU A 16 8.117 6.256 -13.512 1.00 0.00 O ATOM 0 H GLU A 16 9.593 3.326 -12.960 1.00 0.00 H new ATOM 0 HA GLU A 16 11.013 1.992 -14.986 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.348 2.990 -16.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.567 2.493 -14.925 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.402 5.348 -15.552 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.798 4.702 -15.837 1.00 0.00 H new ATOM 265 N LYS A 17 12.278 4.851 -14.429 1.00 0.00 N ATOM 266 CA LYS A 17 13.399 5.675 -14.879 1.00 0.00 C ATOM 267 C LYS A 17 14.657 4.835 -15.140 1.00 0.00 C ATOM 268 O LYS A 17 15.520 5.257 -15.911 1.00 0.00 O ATOM 269 CB LYS A 17 13.664 6.829 -13.897 1.00 0.00 C ATOM 270 CG LYS A 17 14.511 6.454 -12.669 1.00 0.00 C ATOM 271 CD LYS A 17 14.479 7.590 -11.639 1.00 0.00 C ATOM 272 CE LYS A 17 15.329 7.289 -10.394 1.00 0.00 C ATOM 273 NZ LYS A 17 16.790 7.425 -10.641 1.00 0.00 N ATOM 0 H LYS A 17 11.973 5.033 -13.473 1.00 0.00 H new ATOM 0 HA LYS A 17 13.122 6.119 -15.835 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.165 7.635 -14.433 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.707 7.221 -13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.130 5.536 -12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.539 6.257 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.838 8.507 -12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.448 7.770 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.038 7.965 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.117 6.276 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.311 7.210 -9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.079 6.762 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.002 8.398 -10.940 1.00 0.00 H new ATOM 287 N ILE A 18 14.783 3.682 -14.476 1.00 0.00 N ATOM 288 CA ILE A 18 15.965 2.835 -14.520 1.00 0.00 C ATOM 289 C ILE A 18 16.062 2.215 -15.921 1.00 0.00 C ATOM 290 O ILE A 18 15.126 1.558 -16.384 1.00 0.00 O ATOM 291 CB ILE A 18 15.877 1.804 -13.365 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.788 2.483 -11.971 1.00 0.00 C ATOM 293 CG2 ILE A 18 17.047 0.813 -13.363 1.00 0.00 C ATOM 294 CD1 ILE A 18 16.954 3.411 -11.601 1.00 0.00 C ATOM 0 H ILE A 18 14.044 3.308 -13.880 1.00 0.00 H new ATOM 0 HA ILE A 18 16.888 3.392 -14.362 1.00 0.00 H new ATOM 0 HB ILE A 18 14.955 1.253 -13.551 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.863 3.058 -11.927 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.715 1.703 -11.213 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.932 0.116 -12.533 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.057 0.260 -14.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.985 1.357 -13.252 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.786 3.829 -10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.885 2.844 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.020 4.220 -12.329 1.00 0.00 H new ATOM 306 N LYS A 19 17.186 2.445 -16.609 1.00 0.00 N ATOM 307 CA LYS A 19 17.498 1.857 -17.915 1.00 0.00 C ATOM 308 C LYS A 19 17.636 0.336 -17.771 1.00 0.00 C ATOM 309 O LYS A 19 17.972 -0.148 -16.693 1.00 0.00 O ATOM 310 CB LYS A 19 18.797 2.524 -18.413 1.00 0.00 C ATOM 311 CG LYS A 19 19.232 2.183 -19.848 1.00 0.00 C ATOM 312 CD LYS A 19 20.565 2.875 -20.174 1.00 0.00 C ATOM 313 CE LYS A 19 21.075 2.461 -21.562 1.00 0.00 C ATOM 314 NZ LYS A 19 22.477 2.889 -21.787 1.00 0.00 N ATOM 0 H LYS A 19 17.922 3.061 -16.263 1.00 0.00 H new ATOM 0 HA LYS A 19 16.706 2.031 -18.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.676 3.605 -18.340 1.00 0.00 H new ATOM 0 HB3 LYS A 19 19.605 2.247 -17.736 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.337 1.104 -19.958 1.00 0.00 H new ATOM 0 HG3 LYS A 19 18.465 2.502 -20.554 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.436 3.957 -20.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 21.307 2.617 -19.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.005 1.378 -21.666 1.00 0.00 H new ATOM 0 HE3 LYS A 19 20.435 2.897 -22.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.696 2.840 -22.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 22.600 3.866 -21.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.120 2.261 -21.264 1.00 0.00 H new ATOM 328 N LYS A 20 17.487 -0.424 -18.862 1.00 0.00 N ATOM 329 CA LYS A 20 17.722 -1.876 -18.886 1.00 0.00 C ATOM 330 C LYS A 20 19.109 -2.219 -18.337 1.00 0.00 C ATOM 331 O LYS A 20 19.263 -3.133 -17.533 1.00 0.00 O ATOM 332 CB LYS A 20 17.570 -2.386 -20.332 1.00 0.00 C ATOM 333 CG LYS A 20 17.621 -3.922 -20.421 1.00 0.00 C ATOM 334 CD LYS A 20 17.500 -4.445 -21.862 1.00 0.00 C ATOM 335 CE LYS A 20 18.709 -4.065 -22.734 1.00 0.00 C ATOM 336 NZ LYS A 20 18.634 -4.658 -24.094 1.00 0.00 N ATOM 0 H LYS A 20 17.197 -0.046 -19.764 1.00 0.00 H new ATOM 0 HA LYS A 20 16.987 -2.366 -18.247 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.624 -2.032 -20.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.363 -1.963 -20.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.558 -4.274 -19.990 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.815 -4.342 -19.819 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.397 -5.530 -21.843 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.592 -4.047 -22.314 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.768 -2.980 -22.816 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.625 -4.397 -22.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.470 -4.374 -24.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.605 -5.695 -24.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.774 -4.321 -24.573 1.00 0.00 H new ATOM 350 N GLU A 21 20.118 -1.468 -18.772 1.00 0.00 N ATOM 351 CA GLU A 21 21.502 -1.637 -18.350 1.00 0.00 C ATOM 352 C GLU A 21 21.633 -1.408 -16.840 1.00 0.00 C ATOM 353 O GLU A 21 22.276 -2.195 -16.146 1.00 0.00 O ATOM 354 CB GLU A 21 22.334 -0.650 -19.179 1.00 0.00 C ATOM 355 CG GLU A 21 23.815 -0.572 -18.789 1.00 0.00 C ATOM 356 CD GLU A 21 24.623 0.299 -19.772 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.164 1.407 -20.139 1.00 0.00 O ATOM 358 OE2 GLU A 21 25.732 -0.116 -20.178 1.00 0.00 O ATOM 0 H GLU A 21 19.991 -0.709 -19.442 1.00 0.00 H new ATOM 0 HA GLU A 21 21.862 -2.651 -18.523 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.264 -0.930 -20.230 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.895 0.343 -19.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.904 -0.162 -17.783 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.237 -1.577 -18.763 1.00 0.00 H new ATOM 365 N GLU A 22 20.982 -0.365 -16.318 1.00 0.00 N ATOM 366 CA GLU A 22 21.019 -0.035 -14.897 1.00 0.00 C ATOM 367 C GLU A 22 20.270 -1.087 -14.077 1.00 0.00 C ATOM 368 O GLU A 22 20.712 -1.436 -12.984 1.00 0.00 O ATOM 369 CB GLU A 22 20.410 1.352 -14.657 1.00 0.00 C ATOM 370 CG GLU A 22 21.231 2.501 -15.259 1.00 0.00 C ATOM 371 CD GLU A 22 20.527 3.856 -15.061 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.330 3.981 -15.410 1.00 0.00 O ATOM 373 OE2 GLU A 22 21.176 4.808 -14.567 1.00 0.00 O ATOM 0 H GLU A 22 20.414 0.274 -16.874 1.00 0.00 H new ATOM 0 HA GLU A 22 22.061 -0.024 -14.576 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.405 1.376 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.309 1.513 -13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.216 2.529 -14.794 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.386 2.321 -16.323 1.00 0.00 H new ATOM 380 N LEU A 23 19.164 -1.624 -14.600 1.00 0.00 N ATOM 381 CA LEU A 23 18.404 -2.716 -13.999 1.00 0.00 C ATOM 382 C LEU A 23 19.310 -3.935 -13.861 1.00 0.00 C ATOM 383 O LEU A 23 19.428 -4.475 -12.760 1.00 0.00 O ATOM 384 CB LEU A 23 17.132 -2.961 -14.853 1.00 0.00 C ATOM 385 CG LEU A 23 16.286 -4.232 -14.622 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.915 -5.513 -15.178 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.927 -4.405 -13.145 1.00 0.00 C ATOM 0 H LEU A 23 18.763 -1.299 -15.480 1.00 0.00 H new ATOM 0 HA LEU A 23 18.063 -2.474 -12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.475 -2.103 -14.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.437 -2.959 -15.899 1.00 0.00 H new ATOM 0 HG LEU A 23 15.372 -4.072 -15.194 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.258 -6.359 -14.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 17.054 -5.413 -16.254 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.881 -5.681 -14.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.332 -5.309 -13.019 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.840 -4.487 -12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.353 -3.542 -12.807 1.00 0.00 H new ATOM 399 N LYS A 24 19.993 -4.348 -14.937 1.00 0.00 N ATOM 400 CA LYS A 24 20.896 -5.497 -14.874 1.00 0.00 C ATOM 401 C LYS A 24 22.004 -5.233 -13.860 1.00 0.00 C ATOM 402 O LYS A 24 22.244 -6.078 -12.999 1.00 0.00 O ATOM 403 CB LYS A 24 21.482 -5.831 -16.255 1.00 0.00 C ATOM 404 CG LYS A 24 20.437 -6.459 -17.193 1.00 0.00 C ATOM 405 CD LYS A 24 21.058 -7.060 -18.464 1.00 0.00 C ATOM 406 CE LYS A 24 21.776 -6.012 -19.328 1.00 0.00 C ATOM 407 NZ LYS A 24 22.389 -6.614 -20.541 1.00 0.00 N ATOM 0 H LYS A 24 19.936 -3.905 -15.854 1.00 0.00 H new ATOM 0 HA LYS A 24 20.322 -6.365 -14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.877 -4.922 -16.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.320 -6.518 -16.136 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.896 -7.238 -16.656 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.707 -5.700 -17.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.766 -7.840 -18.183 1.00 0.00 H new ATOM 0 HD3 LYS A 24 20.276 -7.537 -19.055 1.00 0.00 H new ATOM 0 HE2 LYS A 24 21.066 -5.240 -19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.549 -5.523 -18.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 22.863 -5.872 -21.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 23.085 -7.333 -20.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 21.648 -7.059 -21.120 1.00 0.00 H new ATOM 421 N LYS A 25 22.642 -4.059 -13.919 1.00 0.00 N ATOM 422 CA LYS A 25 23.706 -3.696 -12.988 1.00 0.00 C ATOM 423 C LYS A 25 23.207 -3.790 -11.548 1.00 0.00 C ATOM 424 O LYS A 25 23.873 -4.409 -10.722 1.00 0.00 O ATOM 425 CB LYS A 25 24.236 -2.292 -13.332 1.00 0.00 C ATOM 426 CG LYS A 25 25.450 -1.904 -12.475 1.00 0.00 C ATOM 427 CD LYS A 25 25.991 -0.526 -12.879 1.00 0.00 C ATOM 428 CE LYS A 25 27.204 -0.163 -12.011 1.00 0.00 C ATOM 429 NZ LYS A 25 27.769 1.165 -12.360 1.00 0.00 N ATOM 0 H LYS A 25 22.434 -3.340 -14.611 1.00 0.00 H new ATOM 0 HA LYS A 25 24.535 -4.397 -13.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.512 -2.258 -14.386 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.442 -1.560 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 25 25.168 -1.893 -11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 25 26.233 -2.653 -12.588 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.275 -0.532 -13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 25 25.212 0.228 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 25 26.911 -0.166 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.974 -0.925 -12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 28.585 1.367 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 28.074 1.162 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 27.044 1.898 -12.222 1.00 0.00 H new ATOM 443 N SER A 26 22.037 -3.225 -11.250 1.00 0.00 N ATOM 444 CA SER A 26 21.473 -3.215 -9.907 1.00 0.00 C ATOM 445 C SER A 26 21.216 -4.638 -9.415 1.00 0.00 C ATOM 446 O SER A 26 21.611 -5.004 -8.308 1.00 0.00 O ATOM 447 CB SER A 26 20.183 -2.386 -9.886 1.00 0.00 C ATOM 448 OG SER A 26 20.415 -1.070 -10.353 1.00 0.00 O ATOM 0 H SER A 26 21.452 -2.758 -11.943 1.00 0.00 H new ATOM 0 HA SER A 26 22.192 -2.755 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.428 -2.868 -10.507 1.00 0.00 H new ATOM 0 HB3 SER A 26 19.786 -2.350 -8.871 1.00 0.00 H new ATOM 0 HG SER A 26 20.415 -1.066 -11.333 1.00 0.00 H new ATOM 454 N LEU A 27 20.598 -5.470 -10.252 1.00 0.00 N ATOM 455 CA LEU A 27 20.272 -6.842 -9.894 1.00 0.00 C ATOM 456 C LEU A 27 21.544 -7.643 -9.609 1.00 0.00 C ATOM 457 O LEU A 27 21.617 -8.306 -8.575 1.00 0.00 O ATOM 458 CB LEU A 27 19.439 -7.485 -11.012 1.00 0.00 C ATOM 459 CG LEU A 27 17.942 -7.128 -10.985 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.246 -7.767 -12.185 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.232 -7.631 -9.728 1.00 0.00 C ATOM 0 H LEU A 27 20.311 -5.209 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 27 19.677 -6.843 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.853 -7.184 -11.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.542 -8.568 -10.946 1.00 0.00 H new ATOM 0 HG LEU A 27 17.884 -6.040 -11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.186 -7.515 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.692 -7.393 -13.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.362 -8.850 -12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.180 -7.349 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.315 -8.716 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.694 -7.187 -8.847 1.00 0.00 H new ATOM 473 N TYR A 28 22.567 -7.549 -10.460 1.00 0.00 N ATOM 474 CA TYR A 28 23.835 -8.219 -10.192 1.00 0.00 C ATOM 475 C TYR A 28 24.529 -7.639 -8.950 1.00 0.00 C ATOM 476 O TYR A 28 25.226 -8.373 -8.249 1.00 0.00 O ATOM 477 CB TYR A 28 24.759 -8.145 -11.417 1.00 0.00 C ATOM 478 CG TYR A 28 24.300 -8.922 -12.646 1.00 0.00 C ATOM 479 CD1 TYR A 28 23.967 -10.290 -12.547 1.00 0.00 C ATOM 480 CD2 TYR A 28 24.264 -8.293 -13.906 1.00 0.00 C ATOM 481 CE1 TYR A 28 23.592 -11.020 -13.689 1.00 0.00 C ATOM 482 CE2 TYR A 28 23.885 -9.014 -15.053 1.00 0.00 C ATOM 483 CZ TYR A 28 23.545 -10.382 -14.950 1.00 0.00 C ATOM 484 OH TYR A 28 23.183 -11.070 -16.070 1.00 0.00 O ATOM 0 H TYR A 28 22.541 -7.020 -11.332 1.00 0.00 H new ATOM 0 HA TYR A 28 23.617 -9.267 -9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.877 -7.098 -11.696 1.00 0.00 H new ATOM 0 HB3 TYR A 28 25.744 -8.510 -11.127 1.00 0.00 H new ATOM 0 HD1 TYR A 28 24.000 -10.781 -11.585 1.00 0.00 H new ATOM 0 HD2 TYR A 28 24.529 -7.250 -13.992 1.00 0.00 H new ATOM 0 HE1 TYR A 28 23.340 -12.067 -13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 28 23.854 -8.521 -16.014 1.00 0.00 H new ATOM 0 HH TYR A 28 23.206 -10.470 -16.844 1.00 0.00 H new ATOM 494 N ALA A 29 24.353 -6.344 -8.656 1.00 0.00 N ATOM 495 CA ALA A 29 24.986 -5.696 -7.513 1.00 0.00 C ATOM 496 C ALA A 29 24.393 -6.167 -6.181 1.00 0.00 C ATOM 497 O ALA A 29 25.157 -6.363 -5.234 1.00 0.00 O ATOM 498 CB ALA A 29 24.879 -4.171 -7.627 1.00 0.00 C ATOM 0 H ALA A 29 23.765 -5.720 -9.209 1.00 0.00 H new ATOM 0 HA ALA A 29 26.037 -5.983 -7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.357 -3.707 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.375 -3.839 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.829 -3.881 -7.659 1.00 0.00 H new ATOM 504 N ILE A 30 23.069 -6.358 -6.087 1.00 0.00 N ATOM 505 CA ILE A 30 22.412 -6.657 -4.806 1.00 0.00 C ATOM 506 C ILE A 30 21.621 -7.963 -4.808 1.00 0.00 C ATOM 507 O ILE A 30 21.815 -8.756 -3.891 1.00 0.00 O ATOM 508 CB ILE A 30 21.565 -5.471 -4.286 1.00 0.00 C ATOM 509 CG1 ILE A 30 20.636 -4.823 -5.338 1.00 0.00 C ATOM 510 CG2 ILE A 30 22.494 -4.406 -3.672 1.00 0.00 C ATOM 511 CD1 ILE A 30 19.515 -3.974 -4.727 1.00 0.00 C ATOM 0 H ILE A 30 22.432 -6.311 -6.882 1.00 0.00 H new ATOM 0 HA ILE A 30 23.228 -6.808 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 30 20.896 -5.890 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.233 -4.198 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.193 -5.607 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 30 21.898 -3.570 -3.306 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.052 -4.844 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.190 -4.049 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.903 -3.551 -5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 30 18.894 -4.599 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 30 19.950 -3.168 -4.137 1.00 0.00 H new ATOM 523 N PHE A 31 20.779 -8.245 -5.804 1.00 0.00 N ATOM 524 CA PHE A 31 19.985 -9.478 -5.802 1.00 0.00 C ATOM 525 C PHE A 31 20.877 -10.722 -5.837 1.00 0.00 C ATOM 526 O PHE A 31 20.590 -11.682 -5.121 1.00 0.00 O ATOM 527 CB PHE A 31 18.952 -9.503 -6.935 1.00 0.00 C ATOM 528 CG PHE A 31 17.583 -8.966 -6.569 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.421 -7.613 -6.224 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.459 -9.816 -6.612 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.141 -7.111 -5.947 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.179 -9.313 -6.320 1.00 0.00 C ATOM 533 CZ PHE A 31 15.020 -7.957 -5.999 1.00 0.00 C ATOM 0 H PHE A 31 20.629 -7.644 -6.615 1.00 0.00 H new ATOM 0 HA PHE A 31 19.431 -9.493 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.340 -8.924 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.841 -10.530 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.281 -6.961 -6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.582 -10.857 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.016 -6.069 -5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.321 -9.969 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.036 -7.563 -5.792 1.00 0.00 H new ATOM 543 N SER A 32 21.989 -10.715 -6.580 1.00 0.00 N ATOM 544 CA SER A 32 22.919 -11.842 -6.559 1.00 0.00 C ATOM 545 C SER A 32 23.499 -12.128 -5.168 1.00 0.00 C ATOM 546 O SER A 32 23.866 -13.275 -4.915 1.00 0.00 O ATOM 547 CB SER A 32 24.041 -11.637 -7.574 1.00 0.00 C ATOM 548 OG SER A 32 23.519 -11.788 -8.880 1.00 0.00 O ATOM 0 H SER A 32 22.262 -9.949 -7.196 1.00 0.00 H new ATOM 0 HA SER A 32 22.337 -12.720 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.478 -10.645 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.839 -12.359 -7.403 1.00 0.00 H new ATOM 0 HG SER A 32 24.235 -11.656 -9.536 1.00 0.00 H new ATOM 554 N GLN A 33 23.529 -11.170 -4.232 1.00 0.00 N ATOM 555 CA GLN A 33 24.005 -11.440 -2.873 1.00 0.00 C ATOM 556 C GLN A 33 23.101 -12.453 -2.149 1.00 0.00 C ATOM 557 O GLN A 33 23.544 -13.086 -1.188 1.00 0.00 O ATOM 558 CB GLN A 33 24.125 -10.143 -2.053 1.00 0.00 C ATOM 559 CG GLN A 33 25.070 -9.104 -2.685 1.00 0.00 C ATOM 560 CD GLN A 33 25.256 -7.856 -1.813 1.00 0.00 C ATOM 561 OE1 GLN A 33 25.261 -7.913 -0.584 1.00 0.00 O ATOM 562 NE2 GLN A 33 25.423 -6.692 -2.419 1.00 0.00 N ATOM 0 H GLN A 33 23.231 -10.208 -4.391 1.00 0.00 H new ATOM 0 HA GLN A 33 24.999 -11.879 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.135 -9.701 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.482 -10.386 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 33 26.042 -9.565 -2.862 1.00 0.00 H new ATOM 0 HG3 GLN A 33 24.676 -8.806 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 33 25.419 -6.642 -3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 33 25.556 -5.844 -1.867 1.00 0.00 H new ATOM 571 N PHE A 34 21.855 -12.635 -2.604 1.00 0.00 N ATOM 572 CA PHE A 34 20.891 -13.554 -2.007 1.00 0.00 C ATOM 573 C PHE A 34 21.002 -14.974 -2.583 1.00 0.00 C ATOM 574 O PHE A 34 20.343 -15.871 -2.051 1.00 0.00 O ATOM 575 CB PHE A 34 19.472 -12.975 -2.145 1.00 0.00 C ATOM 576 CG PHE A 34 19.282 -11.684 -1.364 1.00 0.00 C ATOM 577 CD1 PHE A 34 19.667 -10.451 -1.925 1.00 0.00 C ATOM 578 CD2 PHE A 34 18.787 -11.718 -0.045 1.00 0.00 C ATOM 579 CE1 PHE A 34 19.578 -9.267 -1.174 1.00 0.00 C ATOM 580 CE2 PHE A 34 18.704 -10.532 0.707 1.00 0.00 C ATOM 581 CZ PHE A 34 19.098 -9.307 0.144 1.00 0.00 C ATOM 0 H PHE A 34 21.486 -12.136 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 34 21.121 -13.653 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.261 -12.791 -3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.748 -13.713 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.033 -10.415 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 34 18.471 -12.655 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 34 19.879 -8.326 -1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 34 18.336 -10.564 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 34 19.032 -8.398 0.724 1.00 0.00 H new ATOM 591 N GLY A 35 21.833 -15.208 -3.612 1.00 0.00 N ATOM 592 CA GLY A 35 22.150 -16.563 -4.068 1.00 0.00 C ATOM 593 C GLY A 35 22.503 -16.699 -5.551 1.00 0.00 C ATOM 594 O GLY A 35 22.202 -17.737 -6.126 1.00 0.00 O ATOM 0 H GLY A 35 22.297 -14.471 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 22.986 -16.938 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.296 -17.207 -3.856 1.00 0.00 H new ATOM 598 N GLN A 36 23.138 -15.690 -6.157 1.00 0.00 N ATOM 599 CA GLN A 36 23.622 -15.634 -7.541 1.00 0.00 C ATOM 600 C GLN A 36 22.527 -15.764 -8.615 1.00 0.00 C ATOM 601 O GLN A 36 21.965 -16.833 -8.867 1.00 0.00 O ATOM 602 CB GLN A 36 24.790 -16.619 -7.744 1.00 0.00 C ATOM 603 CG GLN A 36 25.498 -16.481 -9.103 1.00 0.00 C ATOM 604 CD GLN A 36 26.062 -15.077 -9.346 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.957 -14.618 -8.642 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.541 -14.357 -10.327 1.00 0.00 N ATOM 0 H GLN A 36 23.342 -14.826 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 36 23.998 -14.622 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.520 -16.469 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.414 -17.637 -7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 36 26.309 -17.207 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.795 -16.727 -9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.798 -14.747 -10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.883 -13.412 -10.503 1.00 0.00 H new ATOM 615 N ILE A 37 22.267 -14.654 -9.308 1.00 0.00 N ATOM 616 CA ILE A 37 21.430 -14.643 -10.501 1.00 0.00 C ATOM 617 C ILE A 37 22.113 -15.480 -11.592 1.00 0.00 C ATOM 618 O ILE A 37 23.340 -15.477 -11.718 1.00 0.00 O ATOM 619 CB ILE A 37 21.180 -13.180 -10.928 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.246 -12.531 -9.882 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.586 -13.061 -12.340 1.00 0.00 C ATOM 622 CD1 ILE A 37 19.881 -11.081 -10.190 1.00 0.00 C ATOM 0 H ILE A 37 22.634 -13.737 -9.054 1.00 0.00 H new ATOM 0 HA ILE A 37 20.455 -15.092 -10.309 1.00 0.00 H new ATOM 0 HB ILE A 37 22.137 -12.661 -10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.331 -13.119 -9.813 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.727 -12.574 -8.905 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.433 -12.009 -12.583 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.272 -13.504 -13.062 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.631 -13.585 -12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.224 -10.698 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 37 20.788 -10.478 -10.229 1.00 0.00 H new ATOM 0 HD13 ILE A 37 19.370 -11.031 -11.152 1.00 0.00 H new ATOM 634 N LEU A 38 21.299 -16.151 -12.407 1.00 0.00 N ATOM 635 CA LEU A 38 21.694 -16.886 -13.598 1.00 0.00 C ATOM 636 C LEU A 38 21.343 -16.079 -14.855 1.00 0.00 C ATOM 637 O LEU A 38 22.163 -16.035 -15.773 1.00 0.00 O ATOM 638 CB LEU A 38 20.973 -18.245 -13.588 1.00 0.00 C ATOM 639 CG LEU A 38 21.243 -19.131 -14.820 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.726 -19.498 -14.958 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.413 -20.414 -14.702 1.00 0.00 C ATOM 0 H LEU A 38 20.294 -16.196 -12.241 1.00 0.00 H new ATOM 0 HA LEU A 38 22.771 -17.051 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.271 -18.791 -12.693 1.00 0.00 H new ATOM 0 HB3 LEU A 38 19.900 -18.070 -13.512 1.00 0.00 H new ATOM 0 HG LEU A 38 20.961 -18.565 -15.708 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.866 -20.123 -15.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.318 -18.588 -15.060 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.050 -20.044 -14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.597 -21.048 -15.570 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.696 -20.949 -13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.354 -20.159 -14.657 1.00 0.00 H new ATOM 653 N ASP A 39 20.173 -15.424 -14.913 1.00 0.00 N ATOM 654 CA ASP A 39 19.751 -14.626 -16.077 1.00 0.00 C ATOM 655 C ASP A 39 18.725 -13.551 -15.684 1.00 0.00 C ATOM 656 O ASP A 39 18.159 -13.614 -14.592 1.00 0.00 O ATOM 657 CB ASP A 39 19.212 -15.556 -17.181 1.00 0.00 C ATOM 658 CG ASP A 39 18.902 -14.822 -18.496 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.625 -13.862 -18.845 1.00 0.00 O ATOM 660 OD2 ASP A 39 17.953 -15.227 -19.205 1.00 0.00 O ATOM 0 H ASP A 39 19.492 -15.432 -14.154 1.00 0.00 H new ATOM 0 HA ASP A 39 20.619 -14.096 -16.468 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.943 -16.341 -17.375 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.306 -16.046 -16.824 1.00 0.00 H new ATOM 665 N ILE A 40 18.492 -12.551 -16.539 1.00 0.00 N ATOM 666 CA ILE A 40 17.662 -11.370 -16.275 1.00 0.00 C ATOM 667 C ILE A 40 16.907 -11.031 -17.568 1.00 0.00 C ATOM 668 O ILE A 40 17.463 -11.182 -18.660 1.00 0.00 O ATOM 669 CB ILE A 40 18.543 -10.173 -15.816 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.410 -10.530 -14.585 1.00 0.00 C ATOM 671 CG2 ILE A 40 17.665 -8.942 -15.512 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.307 -9.404 -14.053 1.00 0.00 C ATOM 0 H ILE A 40 18.894 -12.541 -17.476 1.00 0.00 H new ATOM 0 HA ILE A 40 16.955 -11.575 -15.472 1.00 0.00 H new ATOM 0 HB ILE A 40 19.220 -9.935 -16.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.750 -10.854 -13.781 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.041 -11.381 -14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.298 -8.114 -15.192 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.118 -8.655 -16.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 16.958 -9.186 -14.719 1.00 0.00 H new ATOM 0 HD11 ILE A 40 20.869 -9.763 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.000 -9.091 -14.834 1.00 0.00 H new ATOM 0 HD13 ILE A 40 19.689 -8.557 -13.756 1.00 0.00 H new ATOM 684 N VAL A 41 15.670 -10.529 -17.453 1.00 0.00 N ATOM 685 CA VAL A 41 14.855 -10.087 -18.580 1.00 0.00 C ATOM 686 C VAL A 41 14.136 -8.783 -18.196 1.00 0.00 C ATOM 687 O VAL A 41 13.233 -8.776 -17.358 1.00 0.00 O ATOM 688 CB VAL A 41 13.862 -11.195 -19.013 1.00 0.00 C ATOM 689 CG1 VAL A 41 13.101 -10.789 -20.286 1.00 0.00 C ATOM 690 CG2 VAL A 41 14.532 -12.554 -19.278 1.00 0.00 C ATOM 0 H VAL A 41 15.203 -10.419 -16.553 1.00 0.00 H new ATOM 0 HA VAL A 41 15.493 -9.890 -19.441 1.00 0.00 H new ATOM 0 HB VAL A 41 13.181 -11.307 -18.169 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.411 -11.585 -20.567 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.541 -9.873 -20.099 1.00 0.00 H new ATOM 0 HG13 VAL A 41 13.811 -10.621 -21.096 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.776 -13.280 -19.577 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.268 -12.448 -20.075 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.028 -12.898 -18.370 1.00 0.00 H new ATOM 700 N ALA A 42 14.545 -7.681 -18.822 1.00 0.00 N ATOM 701 CA ALA A 42 13.902 -6.374 -18.817 1.00 0.00 C ATOM 702 C ALA A 42 14.104 -5.799 -20.228 1.00 0.00 C ATOM 703 O ALA A 42 14.903 -6.336 -21.003 1.00 0.00 O ATOM 704 CB ALA A 42 14.522 -5.475 -17.744 1.00 0.00 C ATOM 0 H ALA A 42 15.395 -7.681 -19.385 1.00 0.00 H new ATOM 0 HA ALA A 42 12.841 -6.443 -18.578 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.029 -4.503 -17.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.394 -5.936 -16.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.585 -5.345 -17.948 1.00 0.00 H new ATOM 710 N LEU A 43 13.393 -4.729 -20.581 1.00 0.00 N ATOM 711 CA LEU A 43 13.371 -4.180 -21.937 1.00 0.00 C ATOM 712 C LEU A 43 13.173 -2.666 -21.861 1.00 0.00 C ATOM 713 O LEU A 43 12.828 -2.141 -20.805 1.00 0.00 O ATOM 714 CB LEU A 43 12.235 -4.865 -22.725 1.00 0.00 C ATOM 715 CG LEU A 43 12.348 -4.873 -24.260 1.00 0.00 C ATOM 716 CD1 LEU A 43 13.676 -5.459 -24.758 1.00 0.00 C ATOM 717 CD2 LEU A 43 11.200 -5.720 -24.823 1.00 0.00 C ATOM 0 H LEU A 43 12.808 -4.212 -19.925 1.00 0.00 H new ATOM 0 HA LEU A 43 14.313 -4.369 -22.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.165 -5.899 -22.386 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.297 -4.378 -22.458 1.00 0.00 H new ATOM 0 HG LEU A 43 12.300 -3.839 -24.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.697 -5.438 -25.848 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.504 -4.867 -24.368 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.771 -6.489 -24.413 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.261 -5.739 -25.911 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.275 -6.737 -24.438 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.246 -5.287 -24.521 1.00 0.00 H new ATOM 847 N GLY A 50 8.735 -0.977 -16.096 1.00 0.00 N ATOM 848 CA GLY A 50 8.004 -0.838 -14.834 1.00 0.00 C ATOM 849 C GLY A 50 7.925 -2.184 -14.094 1.00 0.00 C ATOM 850 O GLY A 50 7.445 -2.250 -12.959 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.498 -0.100 -14.202 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.998 -0.467 -15.031 1.00 0.00 H new ATOM 854 N GLN A 51 8.401 -3.261 -14.726 1.00 0.00 N ATOM 855 CA GLN A 51 8.432 -4.630 -14.235 1.00 0.00 C ATOM 856 C GLN A 51 9.567 -5.362 -14.964 1.00 0.00 C ATOM 857 O GLN A 51 10.028 -4.887 -16.004 1.00 0.00 O ATOM 858 CB GLN A 51 7.057 -5.291 -14.457 1.00 0.00 C ATOM 859 CG GLN A 51 6.528 -5.248 -15.904 1.00 0.00 C ATOM 860 CD GLN A 51 5.106 -5.807 -16.044 1.00 0.00 C ATOM 861 OE1 GLN A 51 4.340 -5.905 -15.088 1.00 0.00 O ATOM 862 NE2 GLN A 51 4.715 -6.169 -17.252 1.00 0.00 N ATOM 0 H GLN A 51 8.802 -3.187 -15.661 1.00 0.00 H new ATOM 0 HA GLN A 51 8.627 -4.670 -13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.118 -6.333 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.330 -4.804 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.543 -4.218 -16.259 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.200 -5.817 -16.547 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.355 -6.085 -18.042 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.773 -6.532 -17.396 1.00 0.00 H new ATOM 871 N ALA A 52 10.028 -6.491 -14.426 1.00 0.00 N ATOM 872 CA ALA A 52 11.184 -7.250 -14.894 1.00 0.00 C ATOM 873 C ALA A 52 11.038 -8.704 -14.436 1.00 0.00 C ATOM 874 O ALA A 52 10.221 -8.999 -13.560 1.00 0.00 O ATOM 875 CB ALA A 52 12.475 -6.645 -14.320 1.00 0.00 C ATOM 0 H ALA A 52 9.584 -6.920 -13.614 1.00 0.00 H new ATOM 0 HA ALA A 52 11.236 -7.211 -15.982 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.333 -7.217 -14.674 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.569 -5.610 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.440 -6.679 -13.231 1.00 0.00 H new ATOM 881 N PHE A 53 11.873 -9.594 -14.965 1.00 0.00 N ATOM 882 CA PHE A 53 12.017 -10.962 -14.490 1.00 0.00 C ATOM 883 C PHE A 53 13.499 -11.220 -14.249 1.00 0.00 C ATOM 884 O PHE A 53 14.361 -10.609 -14.886 1.00 0.00 O ATOM 885 CB PHE A 53 11.476 -11.985 -15.500 1.00 0.00 C ATOM 886 CG PHE A 53 10.017 -11.838 -15.884 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.014 -12.359 -15.047 1.00 0.00 C ATOM 888 CD2 PHE A 53 9.664 -11.230 -17.104 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.663 -12.265 -15.425 1.00 0.00 C ATOM 890 CE2 PHE A 53 8.311 -11.131 -17.478 1.00 0.00 C ATOM 891 CZ PHE A 53 7.311 -11.646 -16.636 1.00 0.00 C ATOM 0 H PHE A 53 12.481 -9.376 -15.754 1.00 0.00 H new ATOM 0 HA PHE A 53 11.438 -11.078 -13.574 1.00 0.00 H new ATOM 0 HB2 PHE A 53 12.077 -11.922 -16.407 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.623 -12.984 -15.089 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.282 -12.832 -14.113 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.433 -10.839 -17.754 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.894 -12.669 -14.783 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.041 -10.660 -18.412 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.272 -11.566 -16.920 1.00 0.00 H new ATOM 901 N VAL A 54 13.800 -12.154 -13.355 1.00 0.00 N ATOM 902 CA VAL A 54 15.157 -12.606 -13.084 1.00 0.00 C ATOM 903 C VAL A 54 15.063 -14.104 -12.786 1.00 0.00 C ATOM 904 O VAL A 54 14.019 -14.604 -12.357 1.00 0.00 O ATOM 905 CB VAL A 54 15.880 -11.725 -12.016 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.017 -10.626 -11.369 1.00 0.00 C ATOM 907 CG2 VAL A 54 16.561 -12.503 -10.881 1.00 0.00 C ATOM 0 H VAL A 54 13.095 -12.626 -12.789 1.00 0.00 H new ATOM 0 HA VAL A 54 15.815 -12.477 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 54 16.641 -11.256 -12.640 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.615 -10.074 -10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.660 -9.943 -12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.165 -11.082 -10.865 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.034 -11.803 -10.192 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.816 -13.092 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.317 -13.168 -11.298 1.00 0.00 H new ATOM 917 N ILE A 55 16.147 -14.821 -13.048 1.00 0.00 N ATOM 918 CA ILE A 55 16.239 -16.261 -12.959 1.00 0.00 C ATOM 919 C ILE A 55 17.476 -16.507 -12.110 1.00 0.00 C ATOM 920 O ILE A 55 18.550 -16.019 -12.457 1.00 0.00 O ATOM 921 CB ILE A 55 16.324 -16.887 -14.374 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.128 -16.487 -15.277 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.362 -18.421 -14.248 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.346 -15.248 -16.159 1.00 0.00 C ATOM 0 H ILE A 55 17.023 -14.389 -13.341 1.00 0.00 H new ATOM 0 HA ILE A 55 15.364 -16.729 -12.507 1.00 0.00 H new ATOM 0 HB ILE A 55 17.232 -16.508 -14.842 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.885 -17.331 -15.922 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.260 -16.310 -14.642 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.422 -18.866 -15.241 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.234 -18.717 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.457 -18.768 -13.749 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.449 -15.058 -16.748 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.555 -14.384 -15.528 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.189 -15.421 -16.828 1.00 0.00 H new ATOM 936 N PHE A 56 17.332 -17.219 -10.995 1.00 0.00 N ATOM 937 CA PHE A 56 18.444 -17.582 -10.121 1.00 0.00 C ATOM 938 C PHE A 56 18.939 -18.985 -10.466 1.00 0.00 C ATOM 939 O PHE A 56 18.232 -19.761 -11.116 1.00 0.00 O ATOM 940 CB PHE A 56 18.007 -17.486 -8.654 1.00 0.00 C ATOM 941 CG PHE A 56 18.148 -16.094 -8.068 1.00 0.00 C ATOM 942 CD1 PHE A 56 17.184 -15.097 -8.326 1.00 0.00 C ATOM 943 CD2 PHE A 56 19.267 -15.790 -7.271 1.00 0.00 C ATOM 944 CE1 PHE A 56 17.333 -13.814 -7.772 1.00 0.00 C ATOM 945 CE2 PHE A 56 19.416 -14.508 -6.717 1.00 0.00 C ATOM 946 CZ PHE A 56 18.447 -13.525 -6.966 1.00 0.00 C ATOM 0 H PHE A 56 16.429 -17.564 -10.669 1.00 0.00 H new ATOM 0 HA PHE A 56 19.270 -16.887 -10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.967 -17.802 -8.572 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.599 -18.183 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 56 16.331 -15.320 -8.950 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.015 -16.546 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.593 -13.052 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 56 20.274 -14.280 -6.101 1.00 0.00 H new ATOM 0 HZ PHE A 56 18.558 -12.541 -6.536 1.00 0.00 H new ATOM 956 N LYS A 57 20.153 -19.326 -10.015 1.00 0.00 N ATOM 957 CA LYS A 57 20.741 -20.645 -10.261 1.00 0.00 C ATOM 958 C LYS A 57 19.922 -21.789 -9.656 1.00 0.00 C ATOM 959 O LYS A 57 19.938 -22.888 -10.210 1.00 0.00 O ATOM 960 CB LYS A 57 22.198 -20.701 -9.760 1.00 0.00 C ATOM 961 CG LYS A 57 22.368 -20.354 -8.270 1.00 0.00 C ATOM 962 CD LYS A 57 23.746 -20.764 -7.735 1.00 0.00 C ATOM 963 CE LYS A 57 23.992 -20.293 -6.291 1.00 0.00 C ATOM 964 NZ LYS A 57 22.960 -20.760 -5.333 1.00 0.00 N ATOM 0 H LYS A 57 20.749 -18.700 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 57 20.730 -20.787 -11.342 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.592 -21.702 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 57 22.801 -20.013 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.230 -19.282 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 57 21.591 -20.854 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 57 23.839 -21.849 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.519 -20.351 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 57 24.969 -20.648 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 57 24.027 -19.204 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 23.299 -20.617 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 22.083 -20.220 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 22.773 -21.771 -5.490 1.00 0.00 H new ATOM 978 N GLU A 58 19.230 -21.560 -8.537 1.00 0.00 N ATOM 979 CA GLU A 58 18.587 -22.600 -7.744 1.00 0.00 C ATOM 980 C GLU A 58 17.311 -22.035 -7.124 1.00 0.00 C ATOM 981 O GLU A 58 17.205 -20.828 -6.878 1.00 0.00 O ATOM 982 CB GLU A 58 19.531 -23.074 -6.622 1.00 0.00 C ATOM 983 CG GLU A 58 20.746 -23.872 -7.116 1.00 0.00 C ATOM 984 CD GLU A 58 21.640 -24.306 -5.945 1.00 0.00 C ATOM 985 OE1 GLU A 58 22.440 -23.473 -5.461 1.00 0.00 O ATOM 986 OE2 GLU A 58 21.562 -25.478 -5.510 1.00 0.00 O ATOM 0 H GLU A 58 19.101 -20.624 -8.152 1.00 0.00 H new ATOM 0 HA GLU A 58 18.349 -23.447 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.883 -22.204 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.966 -23.690 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 58 20.408 -24.751 -7.664 1.00 0.00 H new ATOM 0 HG3 GLU A 58 21.324 -23.265 -7.813 1.00 0.00 H new ATOM 993 N ILE A 59 16.358 -22.921 -6.830 1.00 0.00 N ATOM 994 CA ILE A 59 15.071 -22.552 -6.252 1.00 0.00 C ATOM 995 C ILE A 59 15.227 -21.933 -4.854 1.00 0.00 C ATOM 996 O ILE A 59 14.550 -20.956 -4.535 1.00 0.00 O ATOM 997 CB ILE A 59 14.102 -23.759 -6.282 1.00 0.00 C ATOM 998 CG1 ILE A 59 14.585 -25.000 -5.500 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.740 -24.107 -7.735 1.00 0.00 C ATOM 1000 CD1 ILE A 59 13.524 -26.108 -5.426 1.00 0.00 C ATOM 0 H ILE A 59 16.462 -23.923 -6.989 1.00 0.00 H new ATOM 0 HA ILE A 59 14.626 -21.769 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 59 13.207 -23.440 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 59 15.484 -25.395 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.863 -24.701 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 59 13.058 -24.957 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.259 -23.250 -8.205 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.646 -24.361 -8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.920 -26.954 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 59 12.634 -25.726 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 59 13.264 -26.431 -6.434 1.00 0.00 H new ATOM 1012 N GLY A 60 16.160 -22.415 -4.026 1.00 0.00 N ATOM 1013 CA GLY A 60 16.387 -21.844 -2.698 1.00 0.00 C ATOM 1014 C GLY A 60 16.881 -20.398 -2.789 1.00 0.00 C ATOM 1015 O GLY A 60 16.512 -19.550 -1.973 1.00 0.00 O ATOM 0 H GLY A 60 16.770 -23.200 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.462 -21.879 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.119 -22.447 -2.161 1.00 0.00 H new ATOM 1019 N SER A 61 17.669 -20.098 -3.819 1.00 0.00 N ATOM 1020 CA SER A 61 18.223 -18.773 -4.045 1.00 0.00 C ATOM 1021 C SER A 61 17.125 -17.816 -4.502 1.00 0.00 C ATOM 1022 O SER A 61 17.015 -16.714 -3.962 1.00 0.00 O ATOM 1023 CB SER A 61 19.341 -18.881 -5.085 1.00 0.00 C ATOM 1024 OG SER A 61 20.282 -19.878 -4.707 1.00 0.00 O ATOM 0 H SER A 61 17.942 -20.780 -4.527 1.00 0.00 H new ATOM 0 HA SER A 61 18.639 -18.374 -3.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.917 -19.125 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.844 -17.919 -5.188 1.00 0.00 H new ATOM 0 HG SER A 61 20.988 -19.472 -4.162 1.00 0.00 H new ATOM 1030 N ALA A 62 16.260 -18.258 -5.425 1.00 0.00 N ATOM 1031 CA ALA A 62 15.088 -17.491 -5.825 1.00 0.00 C ATOM 1032 C ALA A 62 14.181 -17.223 -4.627 1.00 0.00 C ATOM 1033 O ALA A 62 13.741 -16.090 -4.450 1.00 0.00 O ATOM 1034 CB ALA A 62 14.314 -18.247 -6.900 1.00 0.00 C ATOM 0 H ALA A 62 16.358 -19.151 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 62 15.424 -16.535 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.439 -17.667 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.955 -18.403 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.994 -19.212 -6.507 1.00 0.00 H new ATOM 1040 N SER A 63 13.940 -18.241 -3.795 1.00 0.00 N ATOM 1041 CA SER A 63 13.125 -18.127 -2.593 1.00 0.00 C ATOM 1042 C SER A 63 13.651 -16.999 -1.708 1.00 0.00 C ATOM 1043 O SER A 63 12.914 -16.074 -1.363 1.00 0.00 O ATOM 1044 CB SER A 63 13.123 -19.458 -1.824 1.00 0.00 C ATOM 1045 OG SER A 63 12.733 -20.546 -2.634 1.00 0.00 O ATOM 0 H SER A 63 14.313 -19.178 -3.944 1.00 0.00 H new ATOM 0 HA SER A 63 12.100 -17.894 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.120 -19.645 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.447 -19.382 -0.972 1.00 0.00 H new ATOM 0 HG SER A 63 13.517 -20.905 -3.099 1.00 0.00 H new ATOM 1051 N ASN A 64 14.946 -17.056 -1.384 1.00 0.00 N ATOM 1052 CA ASN A 64 15.593 -16.099 -0.496 1.00 0.00 C ATOM 1053 C ASN A 64 15.530 -14.686 -1.071 1.00 0.00 C ATOM 1054 O ASN A 64 15.133 -13.753 -0.370 1.00 0.00 O ATOM 1055 CB ASN A 64 17.049 -16.525 -0.257 1.00 0.00 C ATOM 1056 CG ASN A 64 17.769 -15.596 0.716 1.00 0.00 C ATOM 1057 OD1 ASN A 64 17.182 -15.093 1.670 1.00 0.00 O ATOM 1058 ND2 ASN A 64 19.052 -15.363 0.505 1.00 0.00 N ATOM 0 H ASN A 64 15.576 -17.776 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 64 15.062 -16.089 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 64 17.069 -17.543 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.583 -16.537 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 64 19.571 -14.757 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.523 -15.789 -0.293 1.00 0.00 H new ATOM 1065 N ALA A 65 15.882 -14.539 -2.350 1.00 0.00 N ATOM 1066 CA ALA A 65 15.891 -13.258 -3.039 1.00 0.00 C ATOM 1067 C ALA A 65 14.500 -12.630 -3.023 1.00 0.00 C ATOM 1068 O ALA A 65 14.343 -11.507 -2.551 1.00 0.00 O ATOM 1069 CB ALA A 65 16.374 -13.460 -4.477 1.00 0.00 C ATOM 0 H ALA A 65 16.172 -15.320 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 65 16.571 -12.579 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.382 -12.502 -4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.382 -13.876 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.703 -14.147 -4.993 1.00 0.00 H new ATOM 1075 N LEU A 66 13.496 -13.372 -3.500 1.00 0.00 N ATOM 1076 CA LEU A 66 12.110 -12.930 -3.593 1.00 0.00 C ATOM 1077 C LEU A 66 11.652 -12.471 -2.214 1.00 0.00 C ATOM 1078 O LEU A 66 11.312 -11.304 -2.027 1.00 0.00 O ATOM 1079 CB LEU A 66 11.268 -14.108 -4.123 1.00 0.00 C ATOM 1080 CG LEU A 66 9.822 -13.839 -4.576 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.169 -15.185 -4.909 1.00 0.00 C ATOM 1082 CD2 LEU A 66 8.964 -13.111 -3.542 1.00 0.00 C ATOM 0 H LEU A 66 13.634 -14.323 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 66 11.996 -12.090 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.803 -14.543 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.234 -14.867 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 66 9.877 -13.178 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.141 -15.021 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.728 -15.673 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.173 -15.820 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.961 -12.962 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.907 -13.708 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.411 -12.144 -3.314 1.00 0.00 H new ATOM 1094 N ARG A 67 11.674 -13.384 -1.238 1.00 0.00 N ATOM 1095 CA ARG A 67 11.100 -13.153 0.079 1.00 0.00 C ATOM 1096 C ARG A 67 11.745 -11.937 0.730 1.00 0.00 C ATOM 1097 O ARG A 67 11.028 -11.103 1.280 1.00 0.00 O ATOM 1098 CB ARG A 67 11.280 -14.444 0.901 1.00 0.00 C ATOM 1099 CG ARG A 67 10.790 -14.430 2.361 1.00 0.00 C ATOM 1100 CD ARG A 67 11.704 -13.727 3.386 1.00 0.00 C ATOM 1101 NE ARG A 67 13.122 -14.126 3.286 1.00 0.00 N ATOM 1102 CZ ARG A 67 13.701 -15.219 3.796 1.00 0.00 C ATOM 1103 NH1 ARG A 67 13.001 -16.080 4.533 1.00 0.00 N ATOM 1104 NH2 ARG A 67 14.988 -15.444 3.557 1.00 0.00 N ATOM 0 H ARG A 67 12.094 -14.307 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 67 10.035 -12.928 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.763 -15.250 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.340 -14.696 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.813 -13.948 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.646 -15.461 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.628 -12.648 3.248 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.344 -13.946 4.391 1.00 0.00 H new ATOM 0 HE ARG A 67 13.732 -13.494 2.767 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.012 -15.910 4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.454 -16.910 4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.524 -14.787 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.440 -16.274 3.940 1.00 0.00 H new ATOM 1118 N THR A 68 13.074 -11.828 0.682 1.00 0.00 N ATOM 1119 CA THR A 68 13.767 -10.798 1.448 1.00 0.00 C ATOM 1120 C THR A 68 13.702 -9.436 0.738 1.00 0.00 C ATOM 1121 O THR A 68 13.673 -8.407 1.416 1.00 0.00 O ATOM 1122 CB THR A 68 15.205 -11.248 1.765 1.00 0.00 C ATOM 1123 OG1 THR A 68 15.239 -12.639 2.043 1.00 0.00 O ATOM 1124 CG2 THR A 68 15.755 -10.540 3.006 1.00 0.00 C ATOM 0 H THR A 68 13.682 -12.432 0.129 1.00 0.00 H new ATOM 0 HA THR A 68 13.258 -10.661 2.402 1.00 0.00 H new ATOM 0 HB THR A 68 15.807 -11.001 0.890 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.315 -13.139 1.203 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.772 -10.882 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.760 -9.463 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.125 -10.770 3.865 1.00 0.00 H new ATOM 1132 N MET A 69 13.632 -9.400 -0.600 1.00 0.00 N ATOM 1133 CA MET A 69 13.611 -8.143 -1.350 1.00 0.00 C ATOM 1134 C MET A 69 12.199 -7.573 -1.520 1.00 0.00 C ATOM 1135 O MET A 69 12.067 -6.415 -1.914 1.00 0.00 O ATOM 1136 CB MET A 69 14.319 -8.307 -2.704 1.00 0.00 C ATOM 1137 CG MET A 69 15.821 -8.589 -2.541 1.00 0.00 C ATOM 1138 SD MET A 69 16.752 -7.311 -1.642 1.00 0.00 S ATOM 1139 CE MET A 69 16.665 -5.938 -2.818 1.00 0.00 C ATOM 0 H MET A 69 13.589 -10.234 -1.185 1.00 0.00 H new ATOM 0 HA MET A 69 14.162 -7.411 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.856 -9.123 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.183 -7.402 -3.296 1.00 0.00 H new ATOM 0 HG2 MET A 69 15.942 -9.539 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.262 -8.709 -3.531 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.114 -5.050 -2.374 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.205 -6.203 -3.727 1.00 0.00 H new ATOM 0 HE3 MET A 69 15.623 -5.734 -3.062 1.00 0.00 H new ATOM 1149 N GLN A 70 11.140 -8.332 -1.213 1.00 0.00 N ATOM 1150 CA GLN A 70 9.783 -7.786 -1.141 1.00 0.00 C ATOM 1151 C GLN A 70 9.759 -6.516 -0.283 1.00 0.00 C ATOM 1152 O GLN A 70 10.226 -6.517 0.860 1.00 0.00 O ATOM 1153 CB GLN A 70 8.814 -8.832 -0.571 1.00 0.00 C ATOM 1154 CG GLN A 70 8.447 -9.938 -1.559 1.00 0.00 C ATOM 1155 CD GLN A 70 7.144 -9.651 -2.294 1.00 0.00 C ATOM 1156 OE1 GLN A 70 6.914 -8.545 -2.776 1.00 0.00 O ATOM 1157 NE2 GLN A 70 6.273 -10.637 -2.417 1.00 0.00 N ATOM 0 H GLN A 70 11.199 -9.330 -1.010 1.00 0.00 H new ATOM 0 HA GLN A 70 9.463 -7.528 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.261 -9.283 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.902 -8.330 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.252 -10.055 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.359 -10.884 -1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.476 -11.551 -2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.397 -10.484 -2.917 1.00 0.00 H new ATOM 1166 N GLY A 71 9.210 -5.434 -0.841 1.00 0.00 N ATOM 1167 CA GLY A 71 9.054 -4.152 -0.163 1.00 0.00 C ATOM 1168 C GLY A 71 10.348 -3.337 -0.055 1.00 0.00 C ATOM 1169 O GLY A 71 10.310 -2.243 0.510 1.00 0.00 O ATOM 0 H GLY A 71 8.855 -5.428 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.309 -3.561 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.664 -4.329 0.840 1.00 0.00 H new ATOM 1173 N PHE A 72 11.483 -3.827 -0.572 1.00 0.00 N ATOM 1174 CA PHE A 72 12.747 -3.090 -0.541 1.00 0.00 C ATOM 1175 C PHE A 72 12.605 -1.794 -1.353 1.00 0.00 C ATOM 1176 O PHE A 72 12.068 -1.856 -2.458 1.00 0.00 O ATOM 1177 CB PHE A 72 13.862 -3.969 -1.124 1.00 0.00 C ATOM 1178 CG PHE A 72 15.224 -3.305 -1.180 1.00 0.00 C ATOM 1179 CD1 PHE A 72 16.058 -3.308 -0.046 1.00 0.00 C ATOM 1180 CD2 PHE A 72 15.667 -2.698 -2.372 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.329 -2.710 -0.104 1.00 0.00 C ATOM 1182 CE2 PHE A 72 16.942 -2.106 -2.430 1.00 0.00 C ATOM 1183 CZ PHE A 72 17.773 -2.111 -1.296 1.00 0.00 C ATOM 0 H PHE A 72 11.548 -4.741 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 72 13.001 -2.833 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.940 -4.878 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.578 -4.272 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.721 -3.770 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.027 -2.687 -3.242 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.965 -2.711 0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.283 -1.647 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 72 18.751 -1.655 -1.340 1.00 0.00 H new ATOM 1193 N PRO A 73 13.066 -0.625 -0.879 1.00 0.00 N ATOM 1194 CA PRO A 73 13.053 0.599 -1.670 1.00 0.00 C ATOM 1195 C PRO A 73 14.162 0.547 -2.732 1.00 0.00 C ATOM 1196 O PRO A 73 15.325 0.832 -2.437 1.00 0.00 O ATOM 1197 CB PRO A 73 13.227 1.731 -0.655 1.00 0.00 C ATOM 1198 CG PRO A 73 14.038 1.089 0.473 1.00 0.00 C ATOM 1199 CD PRO A 73 13.583 -0.371 0.457 1.00 0.00 C ATOM 0 HA PRO A 73 12.131 0.745 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.751 2.582 -1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.265 2.099 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.110 1.177 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.833 1.562 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.413 -1.039 0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.815 -0.547 1.211 1.00 0.00 H new ATOM 1207 N PHE A 74 13.817 0.154 -3.964 1.00 0.00 N ATOM 1208 CA PHE A 74 14.787 -0.030 -5.045 1.00 0.00 C ATOM 1209 C PHE A 74 15.414 1.312 -5.428 1.00 0.00 C ATOM 1210 O PHE A 74 16.624 1.497 -5.294 1.00 0.00 O ATOM 1211 CB PHE A 74 14.093 -0.692 -6.245 1.00 0.00 C ATOM 1212 CG PHE A 74 14.999 -1.172 -7.363 1.00 0.00 C ATOM 1213 CD1 PHE A 74 15.953 -2.180 -7.118 1.00 0.00 C ATOM 1214 CD2 PHE A 74 14.835 -0.676 -8.672 1.00 0.00 C ATOM 1215 CE1 PHE A 74 16.736 -2.687 -8.170 1.00 0.00 C ATOM 1216 CE2 PHE A 74 15.624 -1.177 -9.722 1.00 0.00 C ATOM 1217 CZ PHE A 74 16.570 -2.187 -9.474 1.00 0.00 C ATOM 0 H PHE A 74 12.855 -0.045 -4.238 1.00 0.00 H new ATOM 0 HA PHE A 74 15.592 -0.684 -4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.518 -1.543 -5.881 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.380 0.019 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.083 -2.565 -6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 74 14.101 0.091 -8.869 1.00 0.00 H new ATOM 0 HE1 PHE A 74 17.465 -3.460 -7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 74 15.503 -0.785 -10.721 1.00 0.00 H new ATOM 0 HZ PHE A 74 17.168 -2.578 -10.284 1.00 0.00 H new ATOM 1227 N TYR A 75 14.561 2.249 -5.848 1.00 0.00 N ATOM 1228 CA TYR A 75 14.895 3.620 -6.210 1.00 0.00 C ATOM 1229 C TYR A 75 13.618 4.430 -6.010 1.00 0.00 C ATOM 1230 O TYR A 75 12.834 4.602 -6.942 1.00 0.00 O ATOM 1231 CB TYR A 75 15.415 3.713 -7.660 1.00 0.00 C ATOM 1232 CG TYR A 75 16.875 3.330 -7.840 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.888 4.215 -7.418 1.00 0.00 C ATOM 1234 CD2 TYR A 75 17.227 2.104 -8.438 1.00 0.00 C ATOM 1235 CE1 TYR A 75 19.242 3.877 -7.586 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.579 1.759 -8.611 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.595 2.644 -8.183 1.00 0.00 C ATOM 1238 OH TYR A 75 20.904 2.301 -8.352 1.00 0.00 O ATOM 0 H TYR A 75 13.564 2.056 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 75 15.703 4.008 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.804 3.068 -8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 75 15.275 4.734 -8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.622 5.158 -6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.454 1.425 -8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 75 20.013 4.559 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.841 0.818 -9.071 1.00 0.00 H new ATOM 0 HH TYR A 75 20.959 1.420 -8.777 1.00 0.00 H new ATOM 1248 N ASP A 76 13.366 4.860 -4.771 1.00 0.00 N ATOM 1249 CA ASP A 76 12.199 5.659 -4.363 1.00 0.00 C ATOM 1250 C ASP A 76 10.841 5.001 -4.684 1.00 0.00 C ATOM 1251 O ASP A 76 9.806 5.669 -4.730 1.00 0.00 O ATOM 1252 CB ASP A 76 12.333 7.096 -4.903 1.00 0.00 C ATOM 1253 CG ASP A 76 11.323 8.073 -4.271 1.00 0.00 C ATOM 1254 OD1 ASP A 76 11.235 8.147 -3.024 1.00 0.00 O ATOM 1255 OD2 ASP A 76 10.661 8.832 -5.017 1.00 0.00 O ATOM 0 H ASP A 76 13.991 4.655 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 76 12.200 5.707 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.345 7.456 -4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.193 7.087 -5.984 1.00 0.00 H new ATOM 1260 N LYS A 77 10.821 3.674 -4.867 1.00 0.00 N ATOM 1261 CA LYS A 77 9.614 2.856 -4.973 1.00 0.00 C ATOM 1262 C LYS A 77 9.885 1.540 -4.246 1.00 0.00 C ATOM 1263 O LYS A 77 10.965 0.974 -4.447 1.00 0.00 O ATOM 1264 CB LYS A 77 9.250 2.556 -6.440 1.00 0.00 C ATOM 1265 CG LYS A 77 8.705 3.776 -7.198 1.00 0.00 C ATOM 1266 CD LYS A 77 8.026 3.361 -8.514 1.00 0.00 C ATOM 1267 CE LYS A 77 7.468 4.608 -9.219 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.720 4.293 -10.462 1.00 0.00 N ATOM 0 H LYS A 77 11.677 3.125 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 77 8.777 3.398 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.134 2.183 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.506 1.760 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.990 4.307 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.520 4.469 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.742 2.854 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.222 2.653 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.810 5.142 -8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.292 5.281 -9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.916 4.946 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.351 4.396 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.368 3.315 -10.417 1.00 0.00 H new ATOM 1282 N PRO A 78 8.954 1.039 -3.414 1.00 0.00 N ATOM 1283 CA PRO A 78 9.080 -0.281 -2.821 1.00 0.00 C ATOM 1284 C PRO A 78 8.846 -1.337 -3.904 1.00 0.00 C ATOM 1285 O PRO A 78 7.857 -1.273 -4.640 1.00 0.00 O ATOM 1286 CB PRO A 78 8.021 -0.338 -1.717 1.00 0.00 C ATOM 1287 CG PRO A 78 6.935 0.619 -2.205 1.00 0.00 C ATOM 1288 CD PRO A 78 7.716 1.678 -2.985 1.00 0.00 C ATOM 0 HA PRO A 78 10.068 -0.474 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.634 -1.349 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.428 -0.025 -0.756 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.207 0.111 -2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.384 1.058 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.143 2.031 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.923 2.547 -2.361 1.00 0.00 H new ATOM 1296 N MET A 79 9.744 -2.314 -3.997 1.00 0.00 N ATOM 1297 CA MET A 79 9.604 -3.442 -4.906 1.00 0.00 C ATOM 1298 C MET A 79 8.382 -4.258 -4.512 1.00 0.00 C ATOM 1299 O MET A 79 8.063 -4.388 -3.328 1.00 0.00 O ATOM 1300 CB MET A 79 10.852 -4.337 -4.855 1.00 0.00 C ATOM 1301 CG MET A 79 12.090 -3.565 -5.300 1.00 0.00 C ATOM 1302 SD MET A 79 13.640 -4.497 -5.309 1.00 0.00 S ATOM 1303 CE MET A 79 13.710 -4.909 -7.070 1.00 0.00 C ATOM 0 H MET A 79 10.596 -2.343 -3.437 1.00 0.00 H new ATOM 0 HA MET A 79 9.488 -3.061 -5.921 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.996 -4.711 -3.841 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.709 -5.206 -5.498 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.913 -3.181 -6.305 1.00 0.00 H new ATOM 0 HG3 MET A 79 12.211 -2.702 -4.645 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.750 -5.026 -7.375 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.173 -5.841 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.249 -4.109 -7.649 1.00 0.00 H new ATOM 1313 N GLN A 80 7.738 -4.868 -5.499 1.00 0.00 N ATOM 1314 CA GLN A 80 6.692 -5.857 -5.313 1.00 0.00 C ATOM 1315 C GLN A 80 7.170 -7.044 -6.137 1.00 0.00 C ATOM 1316 O GLN A 80 7.639 -6.856 -7.258 1.00 0.00 O ATOM 1317 CB GLN A 80 5.341 -5.301 -5.793 1.00 0.00 C ATOM 1318 CG GLN A 80 4.839 -4.092 -4.980 1.00 0.00 C ATOM 1319 CD GLN A 80 4.402 -4.465 -3.560 1.00 0.00 C ATOM 1320 OE1 GLN A 80 3.233 -4.747 -3.309 1.00 0.00 O ATOM 1321 NE2 GLN A 80 5.313 -4.475 -2.599 1.00 0.00 N ATOM 0 H GLN A 80 7.938 -4.680 -6.481 1.00 0.00 H new ATOM 0 HA GLN A 80 6.526 -6.136 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.430 -5.011 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.595 -6.094 -5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.630 -3.344 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 80 4.001 -3.632 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.282 -4.240 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.045 -4.718 -1.645 1.00 0.00 H new ATOM 1330 N ILE A 81 7.137 -8.246 -5.574 1.00 0.00 N ATOM 1331 CA ILE A 81 7.763 -9.422 -6.164 1.00 0.00 C ATOM 1332 C ILE A 81 6.796 -10.602 -6.010 1.00 0.00 C ATOM 1333 O ILE A 81 5.867 -10.576 -5.200 1.00 0.00 O ATOM 1334 CB ILE A 81 9.170 -9.695 -5.544 1.00 0.00 C ATOM 1335 CG1 ILE A 81 9.938 -8.404 -5.158 1.00 0.00 C ATOM 1336 CG2 ILE A 81 10.044 -10.553 -6.485 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.399 -8.585 -4.735 1.00 0.00 C ATOM 0 H ILE A 81 6.670 -8.433 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 81 7.950 -9.261 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 81 8.975 -10.244 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.910 -7.722 -6.008 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.403 -7.919 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.016 -10.724 -6.023 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.554 -11.510 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.179 -10.031 -7.432 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.830 -7.614 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.447 -9.235 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.962 -9.035 -5.553 1.00 0.00 H new ATOM 1349 N ALA A 82 7.024 -11.636 -6.806 1.00 0.00 N ATOM 1350 CA ALA A 82 6.386 -12.942 -6.781 1.00 0.00 C ATOM 1351 C ALA A 82 7.238 -13.887 -7.636 1.00 0.00 C ATOM 1352 O ALA A 82 8.212 -13.467 -8.266 1.00 0.00 O ATOM 1353 CB ALA A 82 4.970 -12.845 -7.376 1.00 0.00 C ATOM 0 H ALA A 82 7.720 -11.577 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 82 6.307 -13.309 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.498 -13.827 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.376 -12.144 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.032 -12.495 -8.406 1.00 0.00 H new ATOM 1359 N TYR A 83 6.886 -15.169 -7.650 1.00 0.00 N ATOM 1360 CA TYR A 83 7.446 -16.121 -8.601 1.00 0.00 C ATOM 1361 C TYR A 83 6.765 -15.824 -9.947 1.00 0.00 C ATOM 1362 O TYR A 83 5.649 -15.293 -9.972 1.00 0.00 O ATOM 1363 CB TYR A 83 7.194 -17.559 -8.121 1.00 0.00 C ATOM 1364 CG TYR A 83 5.761 -17.853 -7.713 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.319 -17.534 -6.411 1.00 0.00 C ATOM 1366 CD2 TYR A 83 4.861 -18.415 -8.639 1.00 0.00 C ATOM 1367 CE1 TYR A 83 3.978 -17.743 -6.045 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.525 -18.647 -8.273 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.073 -18.304 -6.978 1.00 0.00 C ATOM 1370 OH TYR A 83 1.768 -18.517 -6.644 1.00 0.00 O ATOM 0 H TYR A 83 6.208 -15.575 -7.005 1.00 0.00 H new ATOM 0 HA TYR A 83 8.527 -16.024 -8.698 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.479 -18.248 -8.916 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.848 -17.764 -7.273 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.015 -17.127 -5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.199 -18.668 -9.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.639 -17.476 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.841 -19.089 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 83 1.294 -18.907 -7.408 1.00 0.00 H new