USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 57:sc= -1.1! USER MOD Set 1.2: A 113 LYS NZ :NH3+ -154:sc= 0.267 (180deg=-0.279) USER MOD Set 2.1: A 102 TYR OH : rot -164:sc= -5.67! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.73 X(o=-8.4,f=-8.3!) USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot 111:sc= 0.408 USER MOD Set 4.1: A 27 THR OG1 : rot 180:sc= -1.29 USER MOD Set 4.2: A 88 ASN : amide:sc= -0.83 K(o=-2.1,f=-2.8!) USER MOD Set 5.1: A 40 GLN : amide:sc= -0.126 K(o=-2.6,f=-4.9!) USER MOD Set 5.2: A 72 CYS SG : rot 30:sc= -2.51! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.7!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 0.508 (180deg=0.152) USER MOD Single : A 48 CYS SG : rot -53:sc= -10.3! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -4.14! (180deg=-5.33!) USER MOD Single : A 66 THR OG1 : rot -46:sc= 0.782 USER MOD Single : A 71 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 87:sc= 1.23 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -5.24! K(o=-5.2!,f=-2.6) USER MOD Single : A 86 HIS : no HD1:sc= -1.75! K(o=-1.8!,f=-0.75) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.5!) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -1.02 (180deg=-1.91) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00534 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : A 111 GLN : amide:sc= -1.99 K(o=-2,f=-2.6!) USER MOD Single : A 114 SER OG : rot 79:sc= 0.0372 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.922 3.878 -5.589 1.00 0.00 N ATOM 71 CA THR A 27 -18.651 3.812 -6.284 1.00 0.00 C ATOM 72 C THR A 27 -17.749 4.952 -5.818 1.00 0.00 C ATOM 73 O THR A 27 -16.525 4.826 -5.807 1.00 0.00 O ATOM 74 CB THR A 27 -18.881 3.858 -7.799 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.684 2.578 -8.373 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.977 4.825 -8.527 1.00 0.00 C ATOM 0 HA THR A 27 -18.153 2.871 -6.051 1.00 0.00 H new ATOM 0 HB THR A 27 -19.910 4.198 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.837 2.626 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 27 -18.201 4.800 -9.593 1.00 0.00 H new ATOM 0 HG22 THR A 27 -18.140 5.833 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.937 4.541 -8.368 1.00 0.00 H new ATOM 84 N LYS A 28 -18.366 6.060 -5.415 1.00 0.00 N ATOM 85 CA LYS A 28 -17.618 7.208 -4.926 1.00 0.00 C ATOM 86 C LYS A 28 -16.879 6.832 -3.649 1.00 0.00 C ATOM 87 O LYS A 28 -15.729 7.222 -3.441 1.00 0.00 O ATOM 88 CB LYS A 28 -18.555 8.389 -4.665 1.00 0.00 C ATOM 89 CG LYS A 28 -17.828 9.680 -4.327 1.00 0.00 C ATOM 90 CD LYS A 28 -17.161 10.281 -5.554 1.00 0.00 C ATOM 91 CE LYS A 28 -18.142 11.105 -6.373 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.478 12.263 -7.033 1.00 0.00 N ATOM 0 H LYS A 28 -19.378 6.184 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.895 7.506 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.175 8.551 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -19.227 8.135 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.534 10.397 -3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.077 9.486 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.326 10.909 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.748 9.484 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.605 10.472 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.942 11.465 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.180 12.799 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.058 12.881 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.731 11.918 -7.670 1.00 0.00 H new ATOM 106 N GLU A 29 -17.547 6.051 -2.803 1.00 0.00 N ATOM 107 CA GLU A 29 -16.954 5.599 -1.554 1.00 0.00 C ATOM 108 C GLU A 29 -15.729 4.741 -1.838 1.00 0.00 C ATOM 109 O GLU A 29 -14.761 4.746 -1.079 1.00 0.00 O ATOM 110 CB GLU A 29 -17.973 4.802 -0.737 1.00 0.00 C ATOM 111 CG GLU A 29 -18.831 5.665 0.173 1.00 0.00 C ATOM 112 CD GLU A 29 -20.044 4.925 0.702 1.00 0.00 C ATOM 113 OE1 GLU A 29 -19.929 3.711 0.970 1.00 0.00 O ATOM 114 OE2 GLU A 29 -21.110 5.561 0.848 1.00 0.00 O ATOM 0 H GLU A 29 -18.499 5.720 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.650 6.472 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.621 4.251 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.445 4.065 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.228 6.014 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.159 6.549 -0.374 1.00 0.00 H new ATOM 121 N LEU A 30 -15.776 4.011 -2.947 1.00 0.00 N ATOM 122 CA LEU A 30 -14.666 3.155 -3.342 1.00 0.00 C ATOM 123 C LEU A 30 -13.427 3.997 -3.628 1.00 0.00 C ATOM 124 O LEU A 30 -12.339 3.707 -3.133 1.00 0.00 O ATOM 125 CB LEU A 30 -15.055 2.322 -4.569 1.00 0.00 C ATOM 126 CG LEU A 30 -13.898 1.868 -5.464 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.020 0.865 -4.733 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.432 1.274 -6.759 1.00 0.00 C ATOM 0 H LEU A 30 -16.570 3.996 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.434 2.474 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.593 1.438 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.750 2.905 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.288 2.737 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.203 0.554 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.611 1.326 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.615 -0.005 -4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.598 0.956 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.064 0.415 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.018 2.025 -7.289 1.00 0.00 H new ATOM 140 N SER A 31 -13.604 5.051 -4.420 1.00 0.00 N ATOM 141 CA SER A 31 -12.502 5.944 -4.758 1.00 0.00 C ATOM 142 C SER A 31 -11.865 6.499 -3.488 1.00 0.00 C ATOM 143 O SER A 31 -10.680 6.826 -3.471 1.00 0.00 O ATOM 144 CB SER A 31 -12.994 7.090 -5.643 1.00 0.00 C ATOM 145 OG SER A 31 -11.927 7.946 -6.011 1.00 0.00 O ATOM 0 H SER A 31 -14.498 5.306 -4.838 1.00 0.00 H new ATOM 0 HA SER A 31 -11.753 5.376 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.465 6.685 -6.539 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.756 7.661 -5.113 1.00 0.00 H new ATOM 0 HG SER A 31 -12.268 8.669 -6.578 1.00 0.00 H new ATOM 151 N ASN A 32 -12.656 6.587 -2.418 1.00 0.00 N ATOM 152 CA ASN A 32 -12.151 7.083 -1.144 1.00 0.00 C ATOM 153 C ASN A 32 -11.159 6.084 -0.565 1.00 0.00 C ATOM 154 O ASN A 32 -10.138 6.464 0.007 1.00 0.00 O ATOM 155 CB ASN A 32 -13.297 7.326 -0.160 1.00 0.00 C ATOM 156 CG ASN A 32 -14.205 8.459 -0.599 1.00 0.00 C ATOM 157 OD1 ASN A 32 -15.423 8.302 -0.671 1.00 0.00 O ATOM 158 ND2 ASN A 32 -13.613 9.610 -0.896 1.00 0.00 N ATOM 0 H ASN A 32 -13.641 6.323 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.647 8.034 -1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.883 6.413 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.886 7.554 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.172 10.408 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.599 9.696 -0.822 1.00 0.00 H new ATOM 165 N LEU A 33 -11.454 4.798 -0.748 1.00 0.00 N ATOM 166 CA LEU A 33 -10.570 3.742 -0.274 1.00 0.00 C ATOM 167 C LEU A 33 -9.334 3.705 -1.156 1.00 0.00 C ATOM 168 O LEU A 33 -8.204 3.657 -0.673 1.00 0.00 O ATOM 169 CB LEU A 33 -11.273 2.381 -0.303 1.00 0.00 C ATOM 170 CG LEU A 33 -12.773 2.404 0.001 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.427 1.114 -0.468 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.014 2.623 1.488 1.00 0.00 C ATOM 0 H LEU A 33 -12.295 4.466 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.289 3.951 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.127 1.938 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.785 1.725 0.417 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.225 3.235 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.494 1.145 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.284 1.003 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.973 0.268 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.086 2.636 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.551 1.815 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.578 3.575 1.791 1.00 0.00 H new ATOM 184 N ILE A 34 -9.569 3.757 -2.462 1.00 0.00 N ATOM 185 CA ILE A 34 -8.494 3.762 -3.439 1.00 0.00 C ATOM 186 C ILE A 34 -7.626 4.999 -3.241 1.00 0.00 C ATOM 187 O ILE A 34 -6.398 4.923 -3.266 1.00 0.00 O ATOM 188 CB ILE A 34 -9.066 3.745 -4.875 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.615 2.358 -5.205 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.021 4.161 -5.901 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.310 2.287 -6.545 1.00 0.00 C ATOM 0 H ILE A 34 -10.504 3.797 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.888 2.868 -3.297 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.878 4.471 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.796 1.639 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.315 2.058 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.460 4.137 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.677 5.171 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.177 3.473 -5.860 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.674 1.273 -6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.150 2.981 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.607 2.555 -7.334 1.00 0.00 H new ATOM 203 N GLU A 35 -8.280 6.139 -3.036 1.00 0.00 N ATOM 204 CA GLU A 35 -7.577 7.396 -2.823 1.00 0.00 C ATOM 205 C GLU A 35 -6.579 7.255 -1.681 1.00 0.00 C ATOM 206 O GLU A 35 -5.501 7.849 -1.706 1.00 0.00 O ATOM 207 CB GLU A 35 -8.571 8.519 -2.517 1.00 0.00 C ATOM 208 CG GLU A 35 -9.014 9.290 -3.750 1.00 0.00 C ATOM 209 CD GLU A 35 -9.359 10.733 -3.441 1.00 0.00 C ATOM 210 OE1 GLU A 35 -8.500 11.440 -2.873 1.00 0.00 O ATOM 211 OE2 GLU A 35 -10.488 11.157 -3.767 1.00 0.00 O ATOM 0 H GLU A 35 -9.297 6.216 -3.013 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.036 7.648 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.448 8.094 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.117 9.212 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.220 9.262 -4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.882 8.799 -4.189 1.00 0.00 H new ATOM 218 N THR A 36 -6.936 6.441 -0.693 1.00 0.00 N ATOM 219 CA THR A 36 -6.059 6.200 0.440 1.00 0.00 C ATOM 220 C THR A 36 -4.985 5.206 0.027 1.00 0.00 C ATOM 221 O THR A 36 -3.809 5.375 0.343 1.00 0.00 O ATOM 222 CB THR A 36 -6.859 5.689 1.647 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.506 6.404 2.817 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.664 4.215 1.938 1.00 0.00 C ATOM 0 H THR A 36 -7.824 5.940 -0.657 1.00 0.00 H new ATOM 0 HA THR A 36 -5.583 7.133 0.742 1.00 0.00 H new ATOM 0 HB THR A 36 -7.903 5.846 1.377 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.026 6.067 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.262 3.933 2.804 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.977 3.629 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.612 4.021 2.145 1.00 0.00 H new ATOM 232 N PHE A 37 -5.402 4.180 -0.711 1.00 0.00 N ATOM 233 CA PHE A 37 -4.476 3.171 -1.200 1.00 0.00 C ATOM 234 C PHE A 37 -3.396 3.841 -2.032 1.00 0.00 C ATOM 235 O PHE A 37 -2.212 3.531 -1.904 1.00 0.00 O ATOM 236 CB PHE A 37 -5.213 2.127 -2.041 1.00 0.00 C ATOM 237 CG PHE A 37 -4.487 0.812 -2.169 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.563 0.395 -1.214 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.726 -0.005 -3.259 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.899 -0.809 -1.355 1.00 0.00 C ATOM 241 CE2 PHE A 37 -4.066 -1.209 -3.401 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.151 -1.610 -2.449 1.00 0.00 C ATOM 0 H PHE A 37 -6.374 4.029 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.020 2.665 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.193 1.947 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.383 2.534 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.363 1.018 -0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.439 0.303 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.183 -1.122 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.266 -1.837 -4.257 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.632 -2.551 -2.561 1.00 0.00 H new ATOM 252 N ALA A 38 -3.815 4.785 -2.871 1.00 0.00 N ATOM 253 CA ALA A 38 -2.885 5.527 -3.705 1.00 0.00 C ATOM 254 C ALA A 38 -1.847 6.214 -2.831 1.00 0.00 C ATOM 255 O ALA A 38 -0.659 6.218 -3.147 1.00 0.00 O ATOM 256 CB ALA A 38 -3.628 6.546 -4.556 1.00 0.00 C ATOM 0 H ALA A 38 -4.793 5.051 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.378 4.833 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.916 7.092 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.345 6.032 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.157 7.245 -3.908 1.00 0.00 H new ATOM 262 N GLU A 39 -2.307 6.770 -1.712 1.00 0.00 N ATOM 263 CA GLU A 39 -1.418 7.433 -0.770 1.00 0.00 C ATOM 264 C GLU A 39 -0.564 6.385 -0.065 1.00 0.00 C ATOM 265 O GLU A 39 0.658 6.513 0.018 1.00 0.00 O ATOM 266 CB GLU A 39 -2.233 8.260 0.240 1.00 0.00 C ATOM 267 CG GLU A 39 -1.776 8.127 1.689 1.00 0.00 C ATOM 268 CD GLU A 39 -2.195 9.309 2.541 1.00 0.00 C ATOM 269 OE1 GLU A 39 -1.565 10.381 2.421 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.153 9.163 3.329 1.00 0.00 O ATOM 0 H GLU A 39 -3.290 6.773 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.760 8.119 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.184 9.310 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.279 7.960 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.189 7.212 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.691 8.030 1.717 1.00 0.00 H new ATOM 277 N GLN A 40 -1.222 5.335 0.420 1.00 0.00 N ATOM 278 CA GLN A 40 -0.535 4.246 1.094 1.00 0.00 C ATOM 279 C GLN A 40 0.518 3.650 0.167 1.00 0.00 C ATOM 280 O GLN A 40 1.581 3.218 0.611 1.00 0.00 O ATOM 281 CB GLN A 40 -1.535 3.167 1.515 1.00 0.00 C ATOM 282 CG GLN A 40 -2.662 3.683 2.396 1.00 0.00 C ATOM 283 CD GLN A 40 -2.344 3.571 3.873 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.237 3.193 4.255 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.319 3.899 4.711 1.00 0.00 N ATOM 0 H GLN A 40 -2.233 5.219 0.356 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.047 4.635 1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.964 2.714 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.002 2.379 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.863 4.726 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.572 3.123 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.221 4.207 4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.166 3.843 5.718 1.00 0.00 H new ATOM 294 N SER A 41 0.214 3.648 -1.131 1.00 0.00 N ATOM 295 CA SER A 41 1.135 3.126 -2.130 1.00 0.00 C ATOM 296 C SER A 41 2.434 3.916 -2.093 1.00 0.00 C ATOM 297 O SER A 41 3.518 3.345 -1.978 1.00 0.00 O ATOM 298 CB SER A 41 0.512 3.198 -3.526 1.00 0.00 C ATOM 299 OG SER A 41 -0.057 1.955 -3.896 1.00 0.00 O ATOM 0 H SER A 41 -0.664 4.003 -1.511 1.00 0.00 H new ATOM 0 HA SER A 41 1.345 2.081 -1.902 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.255 3.973 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.273 3.484 -4.253 1.00 0.00 H new ATOM 0 HG SER A 41 -0.449 2.028 -4.791 1.00 0.00 H new ATOM 305 N ARG A 42 2.316 5.239 -2.158 1.00 0.00 N ATOM 306 CA ARG A 42 3.488 6.102 -2.097 1.00 0.00 C ATOM 307 C ARG A 42 4.141 5.952 -0.733 1.00 0.00 C ATOM 308 O ARG A 42 5.355 6.063 -0.593 1.00 0.00 O ATOM 309 CB ARG A 42 3.128 7.575 -2.336 1.00 0.00 C ATOM 310 CG ARG A 42 1.905 7.795 -3.212 1.00 0.00 C ATOM 311 CD ARG A 42 2.013 7.042 -4.529 1.00 0.00 C ATOM 312 NE ARG A 42 0.806 7.183 -5.341 1.00 0.00 N ATOM 313 CZ ARG A 42 0.520 8.265 -6.063 1.00 0.00 C ATOM 314 NH1 ARG A 42 1.350 9.300 -6.077 1.00 0.00 N ATOM 315 NH2 ARG A 42 -0.598 8.310 -6.773 1.00 0.00 N ATOM 0 H ARG A 42 1.428 5.732 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 42 4.176 5.799 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.959 8.055 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.982 8.074 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.012 7.469 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.787 8.860 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.872 7.412 -5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.194 5.986 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 42 0.144 6.407 -5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.212 9.270 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.126 10.126 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.239 7.516 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.818 9.138 -7.326 1.00 0.00 H new ATOM 329 N VAL A 43 3.316 5.681 0.273 1.00 0.00 N ATOM 330 CA VAL A 43 3.803 5.494 1.627 1.00 0.00 C ATOM 331 C VAL A 43 4.701 4.267 1.694 1.00 0.00 C ATOM 332 O VAL A 43 5.834 4.342 2.160 1.00 0.00 O ATOM 333 CB VAL A 43 2.635 5.350 2.625 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.021 4.485 3.815 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.177 6.717 3.092 1.00 0.00 C ATOM 0 H VAL A 43 2.305 5.587 0.172 1.00 0.00 H new ATOM 0 HA VAL A 43 4.379 6.377 1.905 1.00 0.00 H new ATOM 0 HB VAL A 43 1.812 4.855 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.174 4.406 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.301 3.491 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.865 4.938 4.336 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.352 6.604 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.004 7.230 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.844 7.302 2.234 1.00 0.00 H new ATOM 345 N LEU A 44 4.199 3.136 1.211 1.00 0.00 N ATOM 346 CA LEU A 44 4.987 1.915 1.215 1.00 0.00 C ATOM 347 C LEU A 44 6.333 2.187 0.561 1.00 0.00 C ATOM 348 O LEU A 44 7.376 1.874 1.121 1.00 0.00 O ATOM 349 CB LEU A 44 4.246 0.781 0.487 1.00 0.00 C ATOM 350 CG LEU A 44 4.132 -0.562 1.237 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.237 -1.518 0.811 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.157 -0.369 2.748 1.00 0.00 C ATOM 0 H LEU A 44 3.263 3.042 0.817 1.00 0.00 H new ATOM 0 HA LEU A 44 5.145 1.595 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.239 1.127 0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.750 0.599 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 44 3.169 -0.998 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.135 -2.458 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.161 -1.708 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.208 -1.074 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.074 -1.338 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.094 0.107 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.321 0.263 3.048 1.00 0.00 H new ATOM 364 N GLU A 45 6.306 2.810 -0.612 1.00 0.00 N ATOM 365 CA GLU A 45 7.536 3.144 -1.309 1.00 0.00 C ATOM 366 C GLU A 45 8.351 4.140 -0.484 1.00 0.00 C ATOM 367 O GLU A 45 9.579 4.155 -0.548 1.00 0.00 O ATOM 368 CB GLU A 45 7.229 3.697 -2.710 1.00 0.00 C ATOM 369 CG GLU A 45 7.249 5.214 -2.804 1.00 0.00 C ATOM 370 CD GLU A 45 6.410 5.739 -3.953 1.00 0.00 C ATOM 371 OE1 GLU A 45 5.550 4.985 -4.453 1.00 0.00 O ATOM 372 OE2 GLU A 45 6.614 6.905 -4.351 1.00 0.00 O ATOM 0 H GLU A 45 5.452 3.091 -1.094 1.00 0.00 H new ATOM 0 HA GLU A 45 8.130 2.239 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.955 3.292 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.248 3.339 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.883 5.637 -1.869 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.278 5.553 -2.926 1.00 0.00 H new ATOM 379 N LYS A 46 7.655 4.959 0.306 1.00 0.00 N ATOM 380 CA LYS A 46 8.317 5.942 1.158 1.00 0.00 C ATOM 381 C LYS A 46 9.018 5.238 2.316 1.00 0.00 C ATOM 382 O LYS A 46 10.216 5.421 2.539 1.00 0.00 O ATOM 383 CB LYS A 46 7.308 6.992 1.664 1.00 0.00 C ATOM 384 CG LYS A 46 6.888 6.844 3.126 1.00 0.00 C ATOM 385 CD LYS A 46 5.931 7.945 3.549 1.00 0.00 C ATOM 386 CE LYS A 46 5.435 7.731 4.970 1.00 0.00 C ATOM 387 NZ LYS A 46 6.242 8.494 5.963 1.00 0.00 N ATOM 0 H LYS A 46 6.637 4.960 0.372 1.00 0.00 H new ATOM 0 HA LYS A 46 9.071 6.469 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.740 7.983 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.415 6.944 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.414 5.873 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.772 6.866 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.431 8.911 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.082 7.974 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.391 8.037 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.473 6.669 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.652 8.721 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.055 7.919 6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.583 9.375 5.529 1.00 0.00 H new ATOM 401 N GLU A 47 8.271 4.411 3.038 1.00 0.00 N ATOM 402 CA GLU A 47 8.836 3.668 4.151 1.00 0.00 C ATOM 403 C GLU A 47 9.810 2.622 3.633 1.00 0.00 C ATOM 404 O GLU A 47 10.801 2.306 4.285 1.00 0.00 O ATOM 405 CB GLU A 47 7.730 2.991 4.964 1.00 0.00 C ATOM 406 CG GLU A 47 6.930 3.941 5.844 1.00 0.00 C ATOM 407 CD GLU A 47 7.787 5.000 6.514 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.360 4.710 7.585 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.885 6.118 5.966 1.00 0.00 O ATOM 0 H GLU A 47 7.279 4.241 2.872 1.00 0.00 H new ATOM 0 HA GLU A 47 9.366 4.365 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.048 2.487 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.177 2.221 5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.166 4.430 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.410 3.366 6.610 1.00 0.00 H new ATOM 416 N CYS A 48 9.516 2.092 2.450 1.00 0.00 N ATOM 417 CA CYS A 48 10.358 1.080 1.829 1.00 0.00 C ATOM 418 C CYS A 48 11.670 1.683 1.339 1.00 0.00 C ATOM 419 O CYS A 48 12.706 1.018 1.347 1.00 0.00 O ATOM 420 CB CYS A 48 9.621 0.424 0.661 1.00 0.00 C ATOM 421 SG CYS A 48 8.253 -0.648 1.162 1.00 0.00 S ATOM 0 H CYS A 48 8.696 2.350 1.901 1.00 0.00 H new ATOM 0 HA CYS A 48 10.586 0.325 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.236 1.204 0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.333 -0.161 0.078 1.00 0.00 H new ATOM 0 HG CYS A 48 8.680 -1.523 2.023 1.00 0.00 H new ATOM 427 N THR A 49 11.626 2.942 0.912 1.00 0.00 N ATOM 428 CA THR A 49 12.826 3.609 0.421 1.00 0.00 C ATOM 429 C THR A 49 13.814 3.849 1.558 1.00 0.00 C ATOM 430 O THR A 49 15.025 3.864 1.343 1.00 0.00 O ATOM 431 CB THR A 49 12.476 4.929 -0.278 1.00 0.00 C ATOM 432 OG1 THR A 49 13.581 5.403 -1.026 1.00 0.00 O ATOM 433 CG2 THR A 49 12.059 6.037 0.667 1.00 0.00 C ATOM 0 H THR A 49 10.782 3.515 0.896 1.00 0.00 H new ATOM 0 HA THR A 49 13.298 2.954 -0.311 1.00 0.00 H new ATOM 0 HB THR A 49 11.626 4.690 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.341 6.245 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.828 6.936 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.176 5.726 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.872 6.248 1.362 1.00 0.00 H new ATOM 441 N LYS A 50 13.294 4.038 2.769 1.00 0.00 N ATOM 442 CA LYS A 50 14.149 4.277 3.925 1.00 0.00 C ATOM 443 C LYS A 50 14.628 2.964 4.550 1.00 0.00 C ATOM 444 O LYS A 50 15.623 2.945 5.275 1.00 0.00 O ATOM 445 CB LYS A 50 13.419 5.139 4.962 1.00 0.00 C ATOM 446 CG LYS A 50 12.523 4.356 5.909 1.00 0.00 C ATOM 447 CD LYS A 50 11.254 5.126 6.231 1.00 0.00 C ATOM 448 CE LYS A 50 11.542 6.319 7.125 1.00 0.00 C ATOM 449 NZ LYS A 50 11.271 6.018 8.558 1.00 0.00 N ATOM 0 H LYS A 50 12.295 4.030 2.972 1.00 0.00 H new ATOM 0 HA LYS A 50 15.031 4.818 3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.158 5.685 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.815 5.881 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.265 3.397 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.064 4.141 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.789 5.466 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.540 4.465 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.584 6.617 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.931 7.165 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.480 6.858 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.271 5.758 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.873 5.228 8.867 1.00 0.00 H new ATOM 463 N ILE A 51 13.927 1.863 4.264 1.00 0.00 N ATOM 464 CA ILE A 51 14.305 0.558 4.802 1.00 0.00 C ATOM 465 C ILE A 51 15.793 0.295 4.588 1.00 0.00 C ATOM 466 O ILE A 51 16.296 0.389 3.469 1.00 0.00 O ATOM 467 CB ILE A 51 13.481 -0.583 4.157 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.020 -0.509 4.623 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.090 -1.948 4.479 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.797 -0.997 6.037 1.00 0.00 C ATOM 0 H ILE A 51 13.100 1.851 3.667 1.00 0.00 H new ATOM 0 HA ILE A 51 14.092 0.577 5.871 1.00 0.00 H new ATOM 0 HB ILE A 51 13.505 -0.458 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.678 0.523 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.403 -1.099 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.492 -2.732 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.109 -1.992 4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.104 -2.095 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.740 -0.912 6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.106 -2.039 6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.384 -0.392 6.728 1.00 0.00 H new ATOM 606 N LEU A 60 10.032 0.950 12.267 1.00 0.00 N ATOM 607 CA LEU A 60 9.647 1.217 10.888 1.00 0.00 C ATOM 608 C LEU A 60 9.108 -0.056 10.242 1.00 0.00 C ATOM 609 O LEU A 60 7.961 -0.096 9.798 1.00 0.00 O ATOM 610 CB LEU A 60 10.841 1.778 10.098 1.00 0.00 C ATOM 611 CG LEU A 60 10.977 1.295 8.648 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.683 1.522 7.881 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.138 1.999 7.961 1.00 0.00 C ATOM 0 HA LEU A 60 8.857 1.967 10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.768 2.866 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.756 1.523 10.632 1.00 0.00 H new ATOM 0 HG LEU A 60 11.181 0.224 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.802 1.172 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.874 0.971 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.445 2.586 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.221 1.645 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.963 3.075 7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.063 1.782 8.495 1.00 0.00 H new ATOM 625 N ARG A 61 9.935 -1.100 10.197 1.00 0.00 N ATOM 626 CA ARG A 61 9.510 -2.366 9.607 1.00 0.00 C ATOM 627 C ARG A 61 8.264 -2.880 10.316 1.00 0.00 C ATOM 628 O ARG A 61 7.400 -3.501 9.697 1.00 0.00 O ATOM 629 CB ARG A 61 10.626 -3.416 9.658 1.00 0.00 C ATOM 630 CG ARG A 61 11.531 -3.304 10.871 1.00 0.00 C ATOM 631 CD ARG A 61 12.858 -2.646 10.522 1.00 0.00 C ATOM 632 NE ARG A 61 13.478 -3.234 9.337 1.00 0.00 N ATOM 633 CZ ARG A 61 13.958 -4.476 9.283 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.875 -5.279 10.336 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.528 -4.914 8.170 1.00 0.00 N ATOM 0 H ARG A 61 10.889 -1.095 10.557 1.00 0.00 H new ATOM 0 HA ARG A 61 9.277 -2.186 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.176 -4.409 9.645 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.233 -3.329 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.030 -2.725 11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.714 -4.297 11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.699 -1.581 10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.539 -2.737 11.368 1.00 0.00 H new ATOM 0 HE ARG A 61 13.548 -2.658 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.441 -4.947 11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.246 -6.228 10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.598 -4.301 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.896 -5.864 8.125 1.00 0.00 H new ATOM 649 N TYR A 62 8.157 -2.589 11.612 1.00 0.00 N ATOM 650 CA TYR A 62 6.990 -3.000 12.379 1.00 0.00 C ATOM 651 C TYR A 62 5.794 -2.174 11.937 1.00 0.00 C ATOM 652 O TYR A 62 4.755 -2.712 11.571 1.00 0.00 O ATOM 653 CB TYR A 62 7.231 -2.825 13.880 1.00 0.00 C ATOM 654 CG TYR A 62 7.493 -4.125 14.606 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.442 -4.900 15.077 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.789 -4.576 14.819 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.674 -6.089 15.740 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.030 -5.765 15.481 1.00 0.00 C ATOM 659 CZ TYR A 62 7.969 -6.518 15.940 1.00 0.00 C ATOM 660 OH TYR A 62 8.205 -7.702 16.601 1.00 0.00 O ATOM 0 H TYR A 62 8.859 -2.075 12.145 1.00 0.00 H new ATOM 0 HA TYR A 62 6.797 -4.057 12.196 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.081 -2.158 14.028 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.363 -2.339 14.325 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.426 -4.568 14.922 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.622 -3.988 14.462 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.845 -6.680 16.100 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.044 -6.103 15.638 1.00 0.00 H new ATOM 0 HH TYR A 62 9.171 -7.859 16.657 1.00 0.00 H new ATOM 670 N LYS A 63 5.964 -0.859 11.944 1.00 0.00 N ATOM 671 CA LYS A 63 4.911 0.048 11.514 1.00 0.00 C ATOM 672 C LYS A 63 4.497 -0.286 10.083 1.00 0.00 C ATOM 673 O LYS A 63 3.333 -0.159 9.710 1.00 0.00 O ATOM 674 CB LYS A 63 5.407 1.497 11.611 1.00 0.00 C ATOM 675 CG LYS A 63 4.529 2.513 10.896 1.00 0.00 C ATOM 676 CD LYS A 63 5.342 3.698 10.403 1.00 0.00 C ATOM 677 CE LYS A 63 5.725 3.543 8.939 1.00 0.00 C ATOM 678 NZ LYS A 63 5.022 4.530 8.073 1.00 0.00 N ATOM 0 H LYS A 63 6.823 -0.397 12.243 1.00 0.00 H new ATOM 0 HA LYS A 63 4.042 -0.066 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.478 1.774 12.663 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.414 1.551 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.030 2.036 10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.748 2.861 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.767 4.615 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.244 3.798 11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.802 3.668 8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.486 2.533 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.657 4.050 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.231 4.952 8.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.687 5.278 7.788 1.00 0.00 H new ATOM 692 N ILE A 64 5.470 -0.712 9.290 1.00 0.00 N ATOM 693 CA ILE A 64 5.233 -1.066 7.904 1.00 0.00 C ATOM 694 C ILE A 64 4.353 -2.315 7.781 1.00 0.00 C ATOM 695 O ILE A 64 3.327 -2.296 7.102 1.00 0.00 O ATOM 696 CB ILE A 64 6.584 -1.284 7.175 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.865 -0.110 6.237 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.613 -2.603 6.414 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.035 -0.333 5.299 1.00 0.00 C ATOM 0 H ILE A 64 6.439 -0.820 9.590 1.00 0.00 H new ATOM 0 HA ILE A 64 4.699 -0.241 7.434 1.00 0.00 H new ATOM 0 HB ILE A 64 7.369 -1.334 7.930 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.972 0.090 5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.057 0.781 6.835 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.577 -2.716 5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.464 -3.428 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.818 -2.610 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.168 0.546 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.941 -0.502 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.839 -1.203 4.673 1.00 0.00 H new ATOM 711 N GLU A 65 4.774 -3.402 8.421 1.00 0.00 N ATOM 712 CA GLU A 65 4.040 -4.663 8.355 1.00 0.00 C ATOM 713 C GLU A 65 2.872 -4.710 9.337 1.00 0.00 C ATOM 714 O GLU A 65 1.923 -5.468 9.139 1.00 0.00 O ATOM 715 CB GLU A 65 4.987 -5.833 8.623 1.00 0.00 C ATOM 716 CG GLU A 65 6.180 -5.878 7.681 1.00 0.00 C ATOM 717 CD GLU A 65 6.574 -7.293 7.307 1.00 0.00 C ATOM 718 OE1 GLU A 65 6.624 -8.154 8.210 1.00 0.00 O ATOM 719 OE2 GLU A 65 6.834 -7.540 6.110 1.00 0.00 O ATOM 0 H GLU A 65 5.619 -3.436 8.991 1.00 0.00 H new ATOM 0 HA GLU A 65 3.625 -4.741 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.347 -5.770 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.431 -6.767 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.945 -5.319 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.028 -5.381 8.151 1.00 0.00 H new ATOM 726 N THR A 66 2.949 -3.926 10.406 1.00 0.00 N ATOM 727 CA THR A 66 1.903 -3.913 11.412 1.00 0.00 C ATOM 728 C THR A 66 0.960 -2.717 11.254 1.00 0.00 C ATOM 729 O THR A 66 -0.060 -2.641 11.938 1.00 0.00 O ATOM 730 CB THR A 66 2.529 -3.896 12.803 1.00 0.00 C ATOM 731 OG1 THR A 66 2.944 -2.589 13.156 1.00 0.00 O ATOM 732 CG2 THR A 66 3.724 -4.816 12.941 1.00 0.00 C ATOM 0 H THR A 66 3.726 -3.293 10.595 1.00 0.00 H new ATOM 0 HA THR A 66 1.308 -4.817 11.279 1.00 0.00 H new ATOM 0 HB THR A 66 1.744 -4.252 13.471 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.422 -2.183 12.403 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.117 -4.752 13.956 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.419 -5.842 12.734 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.497 -4.517 12.233 1.00 0.00 H new ATOM 740 N GLU A 67 1.294 -1.780 10.365 1.00 0.00 N ATOM 741 CA GLU A 67 0.445 -0.606 10.168 1.00 0.00 C ATOM 742 C GLU A 67 0.260 -0.263 8.685 1.00 0.00 C ATOM 743 O GLU A 67 -0.864 -0.036 8.237 1.00 0.00 O ATOM 744 CB GLU A 67 1.013 0.595 10.946 1.00 0.00 C ATOM 745 CG GLU A 67 1.118 1.885 10.140 1.00 0.00 C ATOM 746 CD GLU A 67 1.365 3.100 11.013 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.185 2.993 12.245 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.736 4.159 10.464 1.00 0.00 O ATOM 0 H GLU A 67 2.130 -1.809 9.781 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.544 -0.846 10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.383 0.777 11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.004 0.334 11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.928 1.792 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.199 2.031 9.573 1.00 0.00 H new ATOM 755 N LEU A 68 1.353 -0.208 7.926 1.00 0.00 N ATOM 756 CA LEU A 68 1.264 0.130 6.506 1.00 0.00 C ATOM 757 C LEU A 68 0.625 -1.001 5.702 1.00 0.00 C ATOM 758 O LEU A 68 -0.590 -1.013 5.508 1.00 0.00 O ATOM 759 CB LEU A 68 2.645 0.475 5.936 1.00 0.00 C ATOM 760 CG LEU A 68 3.235 1.810 6.402 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.448 2.176 5.562 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.189 2.914 6.335 1.00 0.00 C ATOM 0 H LEU A 68 2.298 -0.390 8.264 1.00 0.00 H new ATOM 0 HA LEU A 68 0.625 1.009 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.339 -0.322 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.577 0.487 4.848 1.00 0.00 H new ATOM 0 HG LEU A 68 3.551 1.701 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.855 3.127 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.207 1.399 5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.153 2.264 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.629 3.853 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.840 3.023 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.348 2.658 6.979 1.00 0.00 H new ATOM 774 N ILE A 69 1.445 -1.943 5.228 1.00 0.00 N ATOM 775 CA ILE A 69 0.957 -3.073 4.436 1.00 0.00 C ATOM 776 C ILE A 69 -0.408 -3.569 4.925 1.00 0.00 C ATOM 777 O ILE A 69 -1.357 -3.647 4.145 1.00 0.00 O ATOM 778 CB ILE A 69 1.981 -4.236 4.436 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.061 -3.978 3.382 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.306 -5.581 4.180 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.471 -4.073 3.918 1.00 0.00 C ATOM 0 H ILE A 69 2.454 -1.944 5.380 1.00 0.00 H new ATOM 0 HA ILE A 69 0.834 -2.714 3.414 1.00 0.00 H new ATOM 0 HB ILE A 69 2.440 -4.280 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.942 -4.695 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.910 -2.986 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.056 -6.372 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.569 -5.773 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.810 -5.560 3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.180 -3.878 3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.610 -3.337 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.642 -5.073 4.318 1.00 0.00 H new ATOM 793 N PRO A 70 -0.535 -3.909 6.220 1.00 0.00 N ATOM 794 CA PRO A 70 -1.799 -4.388 6.782 1.00 0.00 C ATOM 795 C PRO A 70 -2.960 -3.464 6.439 1.00 0.00 C ATOM 796 O PRO A 70 -4.073 -3.920 6.182 1.00 0.00 O ATOM 797 CB PRO A 70 -1.555 -4.401 8.298 1.00 0.00 C ATOM 798 CG PRO A 70 -0.265 -3.680 8.506 1.00 0.00 C ATOM 799 CD PRO A 70 0.520 -3.852 7.239 1.00 0.00 C ATOM 0 HA PRO A 70 -2.073 -5.365 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.369 -3.908 8.830 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.499 -5.422 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.438 -2.625 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.277 -4.090 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.204 -3.021 7.069 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.120 -4.762 7.253 1.00 0.00 H new ATOM 807 N ASN A 71 -2.689 -2.164 6.433 1.00 0.00 N ATOM 808 CA ASN A 71 -3.708 -1.171 6.117 1.00 0.00 C ATOM 809 C ASN A 71 -3.853 -1.003 4.609 1.00 0.00 C ATOM 810 O ASN A 71 -4.960 -0.826 4.100 1.00 0.00 O ATOM 811 CB ASN A 71 -3.361 0.171 6.762 1.00 0.00 C ATOM 812 CG ASN A 71 -3.598 0.173 8.259 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.182 -0.761 8.808 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.145 1.227 8.929 1.00 0.00 N ATOM 0 H ASN A 71 -1.771 -1.773 6.644 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.659 -1.522 6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.316 0.407 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.959 0.957 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.276 1.284 9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.666 1.979 8.433 1.00 0.00 H new ATOM 821 N CYS A 72 -2.732 -1.065 3.896 1.00 0.00 N ATOM 822 CA CYS A 72 -2.751 -0.924 2.446 1.00 0.00 C ATOM 823 C CYS A 72 -3.525 -2.073 1.818 1.00 0.00 C ATOM 824 O CYS A 72 -4.455 -1.856 1.042 1.00 0.00 O ATOM 825 CB CYS A 72 -1.328 -0.876 1.877 1.00 0.00 C ATOM 826 SG CYS A 72 -0.155 0.088 2.859 1.00 0.00 S ATOM 0 H CYS A 72 -1.805 -1.211 4.297 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.246 0.016 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.953 -1.895 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.367 -0.459 0.871 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.496 0.040 4.112 1.00 0.00 H new ATOM 832 N THR A 73 -3.147 -3.297 2.171 1.00 0.00 N ATOM 833 CA THR A 73 -3.826 -4.473 1.649 1.00 0.00 C ATOM 834 C THR A 73 -5.259 -4.511 2.168 1.00 0.00 C ATOM 835 O THR A 73 -6.194 -4.773 1.414 1.00 0.00 O ATOM 836 CB THR A 73 -3.076 -5.749 2.037 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.453 -6.826 1.198 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.319 -6.177 3.467 1.00 0.00 C ATOM 0 H THR A 73 -2.379 -3.498 2.812 1.00 0.00 H new ATOM 0 HA THR A 73 -3.845 -4.415 0.561 1.00 0.00 H new ATOM 0 HB THR A 73 -2.019 -5.508 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.962 -7.632 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.757 -7.088 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.993 -5.387 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.382 -6.365 3.615 1.00 0.00 H new ATOM 846 N SER A 74 -5.434 -4.214 3.456 1.00 0.00 N ATOM 847 CA SER A 74 -6.768 -4.186 4.042 1.00 0.00 C ATOM 848 C SER A 74 -7.635 -3.221 3.246 1.00 0.00 C ATOM 849 O SER A 74 -8.841 -3.420 3.094 1.00 0.00 O ATOM 850 CB SER A 74 -6.711 -3.754 5.509 1.00 0.00 C ATOM 851 OG SER A 74 -6.357 -4.841 6.347 1.00 0.00 O ATOM 0 H SER A 74 -4.678 -3.993 4.104 1.00 0.00 H new ATOM 0 HA SER A 74 -7.196 -5.188 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.986 -2.949 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.680 -3.357 5.812 1.00 0.00 H new ATOM 0 HG SER A 74 -5.381 -4.909 6.400 1.00 0.00 H new ATOM 857 N VAL A 75 -6.988 -2.186 2.717 1.00 0.00 N ATOM 858 CA VAL A 75 -7.659 -1.190 1.904 1.00 0.00 C ATOM 859 C VAL A 75 -8.087 -1.818 0.576 1.00 0.00 C ATOM 860 O VAL A 75 -9.094 -1.428 -0.013 1.00 0.00 O ATOM 861 CB VAL A 75 -6.728 0.033 1.684 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.571 0.389 0.215 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.222 1.236 2.473 1.00 0.00 C ATOM 0 H VAL A 75 -5.989 -2.019 2.842 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.553 -0.836 2.417 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.742 -0.252 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.910 1.251 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.143 -0.458 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.547 0.630 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.555 2.081 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.228 1.497 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.237 0.993 3.535 1.00 0.00 H new ATOM 873 N ARG A 76 -7.326 -2.821 0.132 1.00 0.00 N ATOM 874 CA ARG A 76 -7.640 -3.536 -1.099 1.00 0.00 C ATOM 875 C ARG A 76 -8.922 -4.328 -0.909 1.00 0.00 C ATOM 876 O ARG A 76 -9.889 -4.150 -1.644 1.00 0.00 O ATOM 877 CB ARG A 76 -6.510 -4.499 -1.470 1.00 0.00 C ATOM 878 CG ARG A 76 -5.193 -3.820 -1.798 1.00 0.00 C ATOM 879 CD ARG A 76 -4.089 -4.843 -2.018 1.00 0.00 C ATOM 880 NE ARG A 76 -4.474 -5.859 -2.993 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.710 -6.898 -3.323 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.520 -7.060 -2.759 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.138 -7.777 -4.219 1.00 0.00 N ATOM 0 H ARG A 76 -6.488 -3.154 0.610 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.761 -2.808 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.352 -5.191 -0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.822 -5.094 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.309 -3.208 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.914 -3.149 -0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.187 -4.336 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.845 -5.323 -1.070 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.382 -5.767 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.187 -6.387 -2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.938 -7.858 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.052 -7.657 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.553 -8.573 -4.472 1.00 0.00 H new ATOM 897 N ASP A 77 -8.921 -5.203 0.099 1.00 0.00 N ATOM 898 CA ASP A 77 -10.088 -6.024 0.404 1.00 0.00 C ATOM 899 C ASP A 77 -11.346 -5.165 0.428 1.00 0.00 C ATOM 900 O ASP A 77 -12.420 -5.603 0.016 1.00 0.00 O ATOM 901 CB ASP A 77 -9.904 -6.730 1.750 1.00 0.00 C ATOM 902 CG ASP A 77 -9.811 -8.237 1.604 1.00 0.00 C ATOM 903 OD1 ASP A 77 -10.868 -8.901 1.618 1.00 0.00 O ATOM 904 OD2 ASP A 77 -8.680 -8.751 1.476 1.00 0.00 O ATOM 0 H ASP A 77 -8.124 -5.359 0.716 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.195 -6.779 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.000 -6.358 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.739 -6.482 2.405 1.00 0.00 H new ATOM 909 N LYS A 78 -11.194 -3.931 0.896 1.00 0.00 N ATOM 910 CA LYS A 78 -12.308 -2.998 0.955 1.00 0.00 C ATOM 911 C LYS A 78 -12.717 -2.597 -0.456 1.00 0.00 C ATOM 912 O LYS A 78 -13.903 -2.527 -0.779 1.00 0.00 O ATOM 913 CB LYS A 78 -11.920 -1.760 1.770 1.00 0.00 C ATOM 914 CG LYS A 78 -12.177 -1.909 3.262 1.00 0.00 C ATOM 915 CD LYS A 78 -13.071 -0.798 3.791 1.00 0.00 C ATOM 916 CE LYS A 78 -12.260 0.417 4.210 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.874 1.124 5.367 1.00 0.00 N ATOM 0 H LYS A 78 -10.310 -3.556 1.239 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.153 -3.482 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.863 -1.547 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.478 -0.901 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.643 -2.875 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.228 -1.899 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.789 -0.510 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.645 -1.165 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.248 0.106 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.175 1.104 3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.290 1.946 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.830 1.444 5.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.932 0.476 6.179 1.00 0.00 H new ATOM 931 N ILE A 79 -11.717 -2.357 -1.297 1.00 0.00 N ATOM 932 CA ILE A 79 -11.952 -1.986 -2.682 1.00 0.00 C ATOM 933 C ILE A 79 -12.455 -3.189 -3.471 1.00 0.00 C ATOM 934 O ILE A 79 -13.411 -3.088 -4.240 1.00 0.00 O ATOM 935 CB ILE A 79 -10.658 -1.442 -3.327 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.326 -0.063 -2.755 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.783 -1.379 -4.843 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.868 0.316 -2.898 1.00 0.00 C ATOM 0 H ILE A 79 -10.732 -2.414 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.709 -1.202 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.844 -2.127 -3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.939 0.686 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.597 -0.042 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.857 -0.992 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.973 -2.379 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.609 -0.721 -5.113 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.706 1.306 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.250 -0.412 -2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.597 0.328 -3.954 1.00 0.00 H new ATOM 950 N GLU A 80 -11.809 -4.330 -3.262 1.00 0.00 N ATOM 951 CA GLU A 80 -12.191 -5.559 -3.938 1.00 0.00 C ATOM 952 C GLU A 80 -13.564 -6.017 -3.463 1.00 0.00 C ATOM 953 O GLU A 80 -14.331 -6.605 -4.225 1.00 0.00 O ATOM 954 CB GLU A 80 -11.154 -6.654 -3.683 1.00 0.00 C ATOM 955 CG GLU A 80 -9.742 -6.262 -4.086 1.00 0.00 C ATOM 956 CD GLU A 80 -8.821 -7.459 -4.226 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.483 -8.072 -3.192 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.440 -7.784 -5.370 1.00 0.00 O ATOM 0 H GLU A 80 -11.016 -4.427 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.236 -5.365 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.162 -6.911 -2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.443 -7.551 -4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.775 -5.721 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.333 -5.578 -3.342 1.00 0.00 H new ATOM 965 N SER A 81 -13.874 -5.732 -2.199 1.00 0.00 N ATOM 966 CA SER A 81 -15.163 -6.104 -1.634 1.00 0.00 C ATOM 967 C SER A 81 -16.280 -5.385 -2.377 1.00 0.00 C ATOM 968 O SER A 81 -17.363 -5.932 -2.583 1.00 0.00 O ATOM 969 CB SER A 81 -15.214 -5.761 -0.144 1.00 0.00 C ATOM 970 OG SER A 81 -16.504 -6.002 0.392 1.00 0.00 O ATOM 0 H SER A 81 -13.252 -5.247 -1.553 1.00 0.00 H new ATOM 0 HA SER A 81 -15.297 -7.180 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.476 -6.356 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.947 -4.714 0.001 1.00 0.00 H new ATOM 0 HG SER A 81 -16.509 -5.776 1.346 1.00 0.00 H new ATOM 976 N ASN A 82 -15.994 -4.155 -2.788 1.00 0.00 N ATOM 977 CA ASN A 82 -16.955 -3.347 -3.526 1.00 0.00 C ATOM 978 C ASN A 82 -17.037 -3.819 -4.976 1.00 0.00 C ATOM 979 O ASN A 82 -16.216 -3.437 -5.809 1.00 0.00 O ATOM 980 CB ASN A 82 -16.541 -1.877 -3.470 1.00 0.00 C ATOM 981 CG ASN A 82 -17.672 -0.937 -3.825 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.798 -1.089 -3.352 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.372 0.044 -4.664 1.00 0.00 N ATOM 0 H ASN A 82 -15.099 -3.694 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.939 -3.457 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.181 -1.643 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.709 -1.712 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.089 0.713 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.424 0.130 -5.030 1.00 0.00 H new ATOM 990 N ILE A 83 -18.024 -4.665 -5.265 1.00 0.00 N ATOM 991 CA ILE A 83 -18.206 -5.209 -6.610 1.00 0.00 C ATOM 992 C ILE A 83 -18.078 -4.138 -7.689 1.00 0.00 C ATOM 993 O ILE A 83 -17.669 -4.427 -8.814 1.00 0.00 O ATOM 994 CB ILE A 83 -19.573 -5.911 -6.756 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.610 -6.741 -8.041 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.704 -4.891 -6.747 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.478 -7.741 -8.152 1.00 0.00 C ATOM 0 H ILE A 83 -18.711 -4.989 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.408 -5.939 -6.749 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.710 -6.580 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.560 -7.273 -8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.575 -6.069 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.659 -5.406 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.689 -4.340 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.574 -4.196 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.570 -8.292 -9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.524 -7.214 -8.133 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.524 -8.437 -7.315 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.425 -2.902 -7.346 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.340 -1.801 -8.299 1.00 0.00 C ATOM 1011 C LEU A 84 -16.946 -1.723 -8.918 1.00 0.00 C ATOM 1012 O LEU A 84 -16.772 -1.182 -10.010 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.689 -0.477 -7.620 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.175 -0.278 -7.323 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.365 0.751 -6.219 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.916 0.144 -8.583 1.00 0.00 C ATOM 0 H LEU A 84 -18.766 -2.638 -6.421 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.060 -1.988 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.134 -0.408 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.347 0.341 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.590 -1.226 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.429 0.880 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.866 0.408 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.936 1.703 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.973 0.282 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.500 1.081 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.807 -0.628 -9.345 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.956 -2.280 -8.222 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.588 -2.282 -8.720 1.00 0.00 C ATOM 1030 C ILE A 85 -14.476 -3.172 -9.952 1.00 0.00 C ATOM 1031 O ILE A 85 -13.680 -2.910 -10.852 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.593 -2.763 -7.641 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.157 -2.716 -8.169 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.944 -4.167 -7.179 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.408 -1.464 -7.774 1.00 0.00 C ATOM 0 H ILE A 85 -16.078 -2.733 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.333 -1.256 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.666 -2.090 -6.786 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.614 -3.586 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.176 -2.790 -9.256 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.232 -4.489 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.950 -4.171 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.902 -4.850 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.398 -1.500 -8.183 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.928 -0.590 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.357 -1.398 -6.687 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.293 -4.220 -9.988 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.301 -5.145 -11.114 1.00 0.00 C ATOM 1049 C HIS A 86 -16.222 -4.635 -12.218 1.00 0.00 C ATOM 1050 O HIS A 86 -16.028 -4.940 -13.395 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.752 -6.533 -10.660 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.754 -7.230 -9.787 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.825 -8.125 -10.274 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.542 -7.160 -8.451 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.085 -8.575 -9.275 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.500 -8.005 -8.160 1.00 0.00 N ATOM 0 H HIS A 86 -15.958 -4.449 -9.249 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.287 -5.214 -11.507 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.694 -6.441 -10.120 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.947 -7.148 -11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.090 -6.553 -7.746 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.278 -9.288 -9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.110 -8.166 -7.232 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.226 -3.854 -11.827 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.180 -3.297 -12.777 1.00 0.00 C ATOM 1067 C GLN A 87 -17.599 -2.071 -13.477 1.00 0.00 C ATOM 1068 O GLN A 87 -17.701 -1.933 -14.696 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.480 -2.923 -12.062 1.00 0.00 C ATOM 1070 CG GLN A 87 -20.115 -4.081 -11.309 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.600 -4.214 -11.586 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -22.049 -5.202 -12.166 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -22.371 -3.215 -11.170 1.00 0.00 N ATOM 0 H GLN A 87 -17.399 -3.593 -10.856 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.392 -4.056 -13.531 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.280 -2.112 -11.362 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -20.192 -2.543 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.613 -5.008 -11.586 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.960 -3.942 -10.239 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -21.956 -2.415 -10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -23.378 -3.248 -11.328 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.988 -1.183 -12.697 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.390 0.030 -13.243 1.00 0.00 C ATOM 1084 C ASN A 88 -15.017 -0.262 -13.840 1.00 0.00 C ATOM 1085 O ASN A 88 -14.049 -0.487 -13.114 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.271 1.101 -12.155 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.797 2.448 -12.611 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -16.929 2.703 -13.808 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -17.100 3.319 -11.655 1.00 0.00 N ATOM 0 H ASN A 88 -16.895 -1.281 -11.686 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.039 0.400 -14.036 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.821 0.780 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.226 1.202 -11.861 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.458 4.242 -11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.975 3.065 -10.675 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.940 -0.257 -15.167 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.681 -0.524 -15.840 1.00 0.00 C ATOM 1098 C GLY A 89 -12.575 0.421 -15.411 1.00 0.00 C ATOM 1099 O GLY A 89 -11.464 -0.012 -15.107 1.00 0.00 O ATOM 0 H GLY A 89 -15.727 -0.073 -15.789 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.376 -1.550 -15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.825 -0.442 -16.917 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.879 1.714 -15.387 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.901 2.723 -14.993 1.00 0.00 C ATOM 1105 C LYS A 90 -11.357 2.441 -13.595 1.00 0.00 C ATOM 1106 O LYS A 90 -10.176 2.137 -13.429 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.528 4.119 -15.041 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.775 5.093 -15.933 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.504 6.411 -15.222 1.00 0.00 C ATOM 1110 CE LYS A 90 -11.800 7.604 -16.118 1.00 0.00 C ATOM 1111 NZ LYS A 90 -12.865 8.475 -15.549 1.00 0.00 N ATOM 0 H LYS A 90 -13.795 2.089 -15.636 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.071 2.682 -15.698 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.556 4.035 -15.395 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.571 4.524 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.831 4.646 -16.244 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.353 5.280 -16.838 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.115 6.471 -14.322 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.462 6.445 -14.903 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.890 8.188 -16.258 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.107 7.251 -17.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.037 9.276 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.741 7.925 -15.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.562 8.833 -14.621 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.224 2.546 -12.593 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.828 2.304 -11.210 1.00 0.00 C ATOM 1127 C LEU A 91 -11.152 0.949 -11.061 1.00 0.00 C ATOM 1128 O LEU A 91 -10.170 0.812 -10.332 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.040 2.384 -10.289 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.318 3.772 -9.723 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.642 3.784 -8.978 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -12.179 4.208 -8.812 1.00 0.00 C ATOM 0 H LEU A 91 -13.205 2.797 -12.713 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.113 3.076 -10.927 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.919 2.047 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.896 1.690 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.386 4.481 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.826 4.782 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.446 3.512 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.604 3.067 -8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.390 5.201 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.081 3.501 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.249 4.235 -9.380 1.00 0.00 H new ATOM 1144 N SER A 92 -11.676 -0.051 -11.760 1.00 0.00 N ATOM 1145 CA SER A 92 -11.107 -1.394 -11.706 1.00 0.00 C ATOM 1146 C SER A 92 -9.591 -1.324 -11.844 1.00 0.00 C ATOM 1147 O SER A 92 -8.855 -2.021 -11.146 1.00 0.00 O ATOM 1148 CB SER A 92 -11.692 -2.268 -12.817 1.00 0.00 C ATOM 1149 OG SER A 92 -11.237 -3.606 -12.707 1.00 0.00 O ATOM 0 H SER A 92 -12.490 0.041 -12.368 1.00 0.00 H new ATOM 0 HA SER A 92 -11.358 -1.839 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.781 -2.246 -12.766 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.410 -1.863 -13.789 1.00 0.00 H new ATOM 0 HG SER A 92 -11.626 -4.144 -13.428 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.140 -0.457 -12.742 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.717 -0.267 -12.978 1.00 0.00 C ATOM 1157 C ALA A 93 -7.085 0.567 -11.870 1.00 0.00 C ATOM 1158 O ALA A 93 -5.919 0.375 -11.525 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.494 0.395 -14.329 1.00 0.00 C ATOM 0 H ALA A 93 -9.743 0.127 -13.320 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.238 -1.246 -12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.425 0.532 -14.495 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.905 -0.237 -15.116 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.991 1.365 -14.345 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.862 1.495 -11.313 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.373 2.359 -10.240 1.00 0.00 C ATOM 1167 C ASP A 94 -6.657 1.544 -9.169 1.00 0.00 C ATOM 1168 O ASP A 94 -5.436 1.605 -9.042 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.523 3.145 -9.606 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.028 4.256 -10.505 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -9.237 3.997 -11.709 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -9.214 5.386 -10.006 1.00 0.00 O ATOM 0 H ASP A 94 -8.830 1.667 -11.586 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.665 3.062 -10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.343 2.464 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.190 3.570 -8.659 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.429 0.781 -8.405 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.878 -0.050 -7.344 1.00 0.00 C ATOM 1179 C PHE A 95 -5.871 -1.057 -7.902 1.00 0.00 C ATOM 1180 O PHE A 95 -4.814 -1.279 -7.312 1.00 0.00 O ATOM 1181 CB PHE A 95 -8.016 -0.763 -6.605 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.770 -2.221 -6.329 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.087 -3.174 -7.281 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.224 -2.636 -5.123 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.866 -4.516 -7.039 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.001 -3.976 -4.877 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.322 -4.918 -5.835 1.00 0.00 C ATOM 0 H PHE A 95 -8.443 0.721 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.345 0.588 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.192 -0.253 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.929 -0.667 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.512 -2.865 -8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.971 -1.904 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.118 -5.250 -7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.575 -4.288 -3.935 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.148 -5.966 -5.643 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.205 -1.665 -9.041 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.324 -2.648 -9.666 1.00 0.00 C ATOM 1199 C LYS A 96 -3.908 -2.102 -9.808 1.00 0.00 C ATOM 1200 O LYS A 96 -2.931 -2.813 -9.578 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.864 -3.051 -11.038 1.00 0.00 C ATOM 1202 CG LYS A 96 -7.007 -4.049 -10.969 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.730 -4.158 -12.302 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.492 -5.507 -12.966 1.00 0.00 C ATOM 1205 NZ LYS A 96 -6.902 -5.361 -14.326 1.00 0.00 N ATOM 0 H LYS A 96 -7.075 -1.494 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.293 -3.527 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.203 -2.158 -11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.053 -3.479 -11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.621 -5.027 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.712 -3.744 -10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.799 -4.012 -12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.392 -3.362 -12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.826 -6.105 -12.344 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.435 -6.049 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.756 -6.302 -14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.548 -4.812 -14.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.989 -4.867 -14.257 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.807 -0.832 -10.184 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.509 -0.188 -10.351 1.00 0.00 C ATOM 1221 C ASN A 97 -1.843 0.032 -8.999 1.00 0.00 C ATOM 1222 O ASN A 97 -0.625 -0.084 -8.867 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.667 1.151 -11.075 1.00 0.00 C ATOM 1224 CG ASN A 97 -3.329 1.003 -12.432 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -4.256 1.740 -12.767 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.853 0.046 -13.221 1.00 0.00 N ATOM 0 H ASN A 97 -4.606 -0.229 -10.379 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.878 -0.844 -10.951 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.259 1.827 -10.457 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.687 1.610 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.258 -0.101 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.083 -0.542 -12.902 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.654 0.349 -7.995 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.148 0.583 -6.650 1.00 0.00 C ATOM 1235 C LEU A 98 -1.678 -0.721 -6.021 1.00 0.00 C ATOM 1236 O LEU A 98 -0.520 -0.848 -5.627 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.228 1.226 -5.783 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.965 2.394 -6.438 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.278 2.673 -5.722 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.087 3.634 -6.457 1.00 0.00 C ATOM 0 H LEU A 98 -3.665 0.449 -8.089 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.298 1.262 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.956 0.463 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.770 1.576 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.194 2.121 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.786 3.508 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.912 1.788 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.078 2.924 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.628 4.456 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.824 3.910 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.178 3.428 -7.022 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.577 -1.696 -5.941 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.232 -2.994 -5.373 1.00 0.00 C ATOM 1254 C LYS A 99 -1.056 -3.591 -6.131 1.00 0.00 C ATOM 1255 O LYS A 99 -0.192 -4.245 -5.549 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.429 -3.949 -5.426 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.212 -3.875 -6.728 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.478 -5.258 -7.303 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.619 -5.530 -8.528 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.062 -6.911 -8.522 1.00 0.00 N ATOM 0 H LYS A 99 -3.543 -1.614 -6.259 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.955 -2.852 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.075 -4.970 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.099 -3.724 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.159 -3.364 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.657 -3.280 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.278 -6.013 -6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.531 -5.345 -7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.215 -5.383 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.802 -4.809 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.483 -7.055 -9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.472 -7.044 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.841 -7.600 -8.512 1.00 0.00 H new ATOM 1274 N THR A 100 -1.028 -3.342 -7.435 1.00 0.00 N ATOM 1275 CA THR A 100 0.044 -3.833 -8.285 1.00 0.00 C ATOM 1276 C THR A 100 1.356 -3.150 -7.919 1.00 0.00 C ATOM 1277 O THR A 100 2.344 -3.813 -7.600 1.00 0.00 O ATOM 1278 CB THR A 100 -0.300 -3.582 -9.757 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.245 -4.531 -10.218 1.00 0.00 O ATOM 1280 CG2 THR A 100 0.896 -3.642 -10.682 1.00 0.00 C ATOM 0 H THR A 100 -1.740 -2.801 -7.926 1.00 0.00 H new ATOM 0 HA THR A 100 0.158 -4.906 -8.132 1.00 0.00 H new ATOM 0 HB THR A 100 -0.703 -2.570 -9.785 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.102 -4.085 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.574 -3.455 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.623 -2.886 -10.386 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.354 -4.629 -10.621 1.00 0.00 H new ATOM 1288 N LYS A 101 1.358 -1.821 -7.959 1.00 0.00 N ATOM 1289 CA LYS A 101 2.550 -1.059 -7.620 1.00 0.00 C ATOM 1290 C LYS A 101 2.949 -1.333 -6.176 1.00 0.00 C ATOM 1291 O LYS A 101 4.132 -1.394 -5.847 1.00 0.00 O ATOM 1292 CB LYS A 101 2.310 0.442 -7.841 1.00 0.00 C ATOM 1293 CG LYS A 101 1.582 1.135 -6.698 1.00 0.00 C ATOM 1294 CD LYS A 101 1.535 2.641 -6.900 1.00 0.00 C ATOM 1295 CE LYS A 101 2.786 3.313 -6.359 1.00 0.00 C ATOM 1296 NZ LYS A 101 2.712 4.796 -6.470 1.00 0.00 N ATOM 0 H LYS A 101 0.552 -1.254 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 101 3.365 -1.371 -8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.271 0.933 -7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.734 0.575 -8.757 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.567 0.745 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.082 0.908 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.431 2.864 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.656 3.049 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.925 3.034 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.657 2.951 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.390 5.228 -5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.943 5.083 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.750 5.114 -6.235 1.00 0.00 H new ATOM 1310 N TYR A 102 1.944 -1.510 -5.324 1.00 0.00 N ATOM 1311 CA TYR A 102 2.171 -1.789 -3.912 1.00 0.00 C ATOM 1312 C TYR A 102 2.945 -3.094 -3.745 1.00 0.00 C ATOM 1313 O TYR A 102 3.821 -3.202 -2.888 1.00 0.00 O ATOM 1314 CB TYR A 102 0.828 -1.848 -3.170 1.00 0.00 C ATOM 1315 CG TYR A 102 0.844 -2.672 -1.899 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.662 -2.327 -0.829 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.036 -3.794 -1.772 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.673 -3.080 0.331 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.041 -4.550 -0.616 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.861 -4.189 0.430 1.00 0.00 C ATOM 1321 OH TYR A 102 0.870 -4.942 1.579 1.00 0.00 O ATOM 0 H TYR A 102 0.960 -1.465 -5.590 1.00 0.00 H new ATOM 0 HA TYR A 102 2.770 -0.986 -3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.519 -0.832 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.074 -2.257 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.298 -1.458 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.607 -4.080 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.314 -2.801 1.154 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.595 -5.419 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 102 0.452 -5.811 1.404 1.00 0.00 H new ATOM 1331 N GLN A 103 2.620 -4.082 -4.574 1.00 0.00 N ATOM 1332 CA GLN A 103 3.293 -5.374 -4.517 1.00 0.00 C ATOM 1333 C GLN A 103 4.783 -5.214 -4.791 1.00 0.00 C ATOM 1334 O GLN A 103 5.615 -5.860 -4.157 1.00 0.00 O ATOM 1335 CB GLN A 103 2.680 -6.343 -5.532 1.00 0.00 C ATOM 1336 CG GLN A 103 1.247 -6.737 -5.217 1.00 0.00 C ATOM 1337 CD GLN A 103 1.023 -8.234 -5.297 1.00 0.00 C ATOM 1338 OE1 GLN A 103 0.984 -8.924 -4.278 1.00 0.00 O ATOM 1339 NE2 GLN A 103 0.874 -8.745 -6.514 1.00 0.00 N ATOM 0 H GLN A 103 1.897 -4.012 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 103 3.161 -5.781 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.712 -5.886 -6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.293 -7.243 -5.577 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.990 -6.388 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.575 -6.235 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.913 -8.136 -7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.720 -9.746 -6.631 1.00 0.00 H new ATOM 1348 N SER A 104 5.112 -4.344 -5.737 1.00 0.00 N ATOM 1349 CA SER A 104 6.503 -4.095 -6.090 1.00 0.00 C ATOM 1350 C SER A 104 7.251 -3.488 -4.911 1.00 0.00 C ATOM 1351 O SER A 104 8.425 -3.780 -4.686 1.00 0.00 O ATOM 1352 CB SER A 104 6.583 -3.148 -7.284 1.00 0.00 C ATOM 1353 OG SER A 104 5.617 -3.479 -8.266 1.00 0.00 O ATOM 0 H SER A 104 4.436 -3.800 -6.273 1.00 0.00 H new ATOM 0 HA SER A 104 6.964 -5.047 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.428 -2.122 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.580 -3.193 -7.721 1.00 0.00 H new ATOM 0 HG SER A 104 5.689 -2.856 -9.019 1.00 0.00 H new ATOM 1359 N LEU A 105 6.558 -2.637 -4.166 1.00 0.00 N ATOM 1360 CA LEU A 105 7.142 -1.976 -3.011 1.00 0.00 C ATOM 1361 C LEU A 105 7.518 -2.983 -1.937 1.00 0.00 C ATOM 1362 O LEU A 105 8.641 -2.981 -1.436 1.00 0.00 O ATOM 1363 CB LEU A 105 6.155 -0.957 -2.442 1.00 0.00 C ATOM 1364 CG LEU A 105 5.616 0.051 -3.453 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.457 0.839 -2.861 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.726 0.981 -3.911 1.00 0.00 C ATOM 0 H LEU A 105 5.585 -2.388 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 105 8.049 -1.465 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.314 -1.494 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.643 -0.413 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 105 5.243 -0.493 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.088 1.552 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.655 0.154 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.797 1.376 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.328 1.695 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.128 1.518 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.520 0.398 -4.378 1.00 0.00 H new ATOM 1378 N GLN A 106 6.572 -3.844 -1.587 1.00 0.00 N ATOM 1379 CA GLN A 106 6.817 -4.856 -0.563 1.00 0.00 C ATOM 1380 C GLN A 106 8.008 -5.729 -0.952 1.00 0.00 C ATOM 1381 O GLN A 106 8.830 -6.090 -0.110 1.00 0.00 O ATOM 1382 CB GLN A 106 5.584 -5.746 -0.323 1.00 0.00 C ATOM 1383 CG GLN A 106 4.409 -5.488 -1.255 1.00 0.00 C ATOM 1384 CD GLN A 106 3.370 -6.591 -1.196 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.303 -7.446 -2.079 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.555 -6.580 -0.149 1.00 0.00 N ATOM 0 H GLN A 106 5.636 -3.864 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 106 7.036 -4.326 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.884 -6.789 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.249 -5.607 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.942 -4.539 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.774 -5.391 -2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.645 -5.852 0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.838 -7.299 -0.053 1.00 0.00 H new ATOM 1395 N GLN A 107 8.087 -6.068 -2.235 1.00 0.00 N ATOM 1396 CA GLN A 107 9.168 -6.904 -2.747 1.00 0.00 C ATOM 1397 C GLN A 107 10.507 -6.172 -2.721 1.00 0.00 C ATOM 1398 O GLN A 107 11.502 -6.703 -2.229 1.00 0.00 O ATOM 1399 CB GLN A 107 8.861 -7.357 -4.176 1.00 0.00 C ATOM 1400 CG GLN A 107 7.434 -7.843 -4.371 1.00 0.00 C ATOM 1401 CD GLN A 107 7.360 -9.323 -4.691 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.673 -10.168 -3.852 1.00 0.00 O ATOM 1403 NE2 GLN A 107 6.944 -9.645 -5.910 1.00 0.00 N ATOM 0 H GLN A 107 7.412 -5.775 -2.942 1.00 0.00 H new ATOM 0 HA GLN A 107 9.242 -7.775 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.049 -6.528 -4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.548 -8.158 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.859 -7.641 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.969 -7.277 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.695 -8.912 -6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.874 -10.625 -6.182 1.00 0.00 H new ATOM 1412 N SER A 108 10.532 -4.955 -3.259 1.00 0.00 N ATOM 1413 CA SER A 108 11.760 -4.168 -3.299 1.00 0.00 C ATOM 1414 C SER A 108 12.286 -3.906 -1.892 1.00 0.00 C ATOM 1415 O SER A 108 13.496 -3.866 -1.663 1.00 0.00 O ATOM 1416 CB SER A 108 11.516 -2.840 -4.019 1.00 0.00 C ATOM 1417 OG SER A 108 12.677 -2.413 -4.711 1.00 0.00 O ATOM 0 H SER A 108 9.720 -4.495 -3.671 1.00 0.00 H new ATOM 0 HA SER A 108 12.509 -4.739 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.690 -2.950 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.220 -2.080 -3.296 1.00 0.00 H new ATOM 0 HG SER A 108 12.494 -1.563 -5.164 1.00 0.00 H new ATOM 1423 N TYR A 109 11.365 -3.721 -0.957 1.00 0.00 N ATOM 1424 CA TYR A 109 11.720 -3.452 0.429 1.00 0.00 C ATOM 1425 C TYR A 109 12.001 -4.744 1.187 1.00 0.00 C ATOM 1426 O TYR A 109 12.977 -4.835 1.932 1.00 0.00 O ATOM 1427 CB TYR A 109 10.593 -2.647 1.089 1.00 0.00 C ATOM 1428 CG TYR A 109 10.116 -3.150 2.439 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.004 -3.384 3.480 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.766 -3.367 2.671 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.562 -3.827 4.710 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.315 -3.806 3.897 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.217 -4.036 4.915 1.00 0.00 C ATOM 1434 OH TYR A 109 8.771 -4.475 6.140 1.00 0.00 O ATOM 0 H TYR A 109 10.361 -3.753 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 109 12.638 -2.865 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.930 -1.617 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.741 -2.628 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.060 -3.216 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.056 -3.189 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.267 -4.009 5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.260 -3.969 4.060 1.00 0.00 H new ATOM 0 HH TYR A 109 9.061 -3.850 6.837 1.00 0.00 H new ATOM 1444 N ASN A 110 11.144 -5.741 1.000 1.00 0.00 N ATOM 1445 CA ASN A 110 11.317 -7.018 1.680 1.00 0.00 C ATOM 1446 C ASN A 110 12.736 -7.534 1.484 1.00 0.00 C ATOM 1447 O ASN A 110 13.373 -8.014 2.422 1.00 0.00 O ATOM 1448 CB ASN A 110 10.306 -8.045 1.166 1.00 0.00 C ATOM 1449 CG ASN A 110 8.977 -7.961 1.892 1.00 0.00 C ATOM 1450 OD1 ASN A 110 8.920 -7.595 3.066 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.899 -8.300 1.195 1.00 0.00 N ATOM 0 H ASN A 110 10.329 -5.691 0.389 1.00 0.00 H new ATOM 0 HA ASN A 110 11.143 -6.865 2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.145 -7.890 0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.718 -9.047 1.283 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.977 -8.263 1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.992 -8.598 0.224 1.00 0.00 H new ATOM 1458 N GLN A 111 13.238 -7.412 0.263 1.00 0.00 N ATOM 1459 CA GLN A 111 14.593 -7.848 -0.033 1.00 0.00 C ATOM 1460 C GLN A 111 15.586 -6.988 0.731 1.00 0.00 C ATOM 1461 O GLN A 111 16.376 -7.491 1.529 1.00 0.00 O ATOM 1462 CB GLN A 111 14.888 -7.775 -1.534 1.00 0.00 C ATOM 1463 CG GLN A 111 14.515 -6.455 -2.190 1.00 0.00 C ATOM 1464 CD GLN A 111 14.327 -6.587 -3.688 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.216 -6.803 -4.171 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.419 -6.462 -4.433 1.00 0.00 N ATOM 0 H GLN A 111 12.732 -7.019 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 111 14.691 -8.888 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.951 -7.956 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.351 -8.580 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.595 -6.077 -1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.293 -5.719 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.320 -6.283 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.356 -6.545 -5.448 1.00 0.00 H new ATOM 1475 N ARG A 112 15.522 -5.683 0.489 1.00 0.00 N ATOM 1476 CA ARG A 112 16.399 -4.725 1.152 1.00 0.00 C ATOM 1477 C ARG A 112 16.427 -4.963 2.656 1.00 0.00 C ATOM 1478 O ARG A 112 17.481 -4.899 3.288 1.00 0.00 O ATOM 1479 CB ARG A 112 15.928 -3.298 0.865 1.00 0.00 C ATOM 1480 CG ARG A 112 16.742 -2.587 -0.201 1.00 0.00 C ATOM 1481 CD ARG A 112 16.540 -1.082 -0.138 1.00 0.00 C ATOM 1482 NE ARG A 112 15.580 -0.617 -1.137 1.00 0.00 N ATOM 1483 CZ ARG A 112 15.185 0.649 -1.253 1.00 0.00 C ATOM 1484 NH1 ARG A 112 15.665 1.579 -0.435 1.00 0.00 N ATOM 1485 NH2 ARG A 112 14.309 0.987 -2.189 1.00 0.00 N ATOM 0 H ARG A 112 14.865 -5.262 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 112 17.407 -4.860 0.761 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.884 -3.326 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 112 15.970 -2.719 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.799 -2.820 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.454 -2.954 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.192 -0.804 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.496 -0.581 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 112 15.190 -1.303 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 112 16.340 1.325 0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 112 15.359 2.548 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 112 13.938 0.277 -2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 112 14.006 1.957 -2.278 1.00 0.00 H new ATOM 1499 N LYS A 113 15.257 -5.236 3.223 1.00 0.00 N ATOM 1500 CA LYS A 113 15.148 -5.481 4.655 1.00 0.00 C ATOM 1501 C LYS A 113 15.950 -6.719 5.051 1.00 0.00 C ATOM 1502 O LYS A 113 16.420 -6.832 6.183 1.00 0.00 O ATOM 1503 CB LYS A 113 13.670 -5.613 5.066 1.00 0.00 C ATOM 1504 CG LYS A 113 13.086 -7.016 4.946 1.00 0.00 C ATOM 1505 CD LYS A 113 12.266 -7.381 6.172 1.00 0.00 C ATOM 1506 CE LYS A 113 10.907 -6.698 6.156 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.814 -7.625 6.558 1.00 0.00 N ATOM 0 H LYS A 113 14.374 -5.293 2.715 1.00 0.00 H new ATOM 0 HA LYS A 113 15.569 -4.629 5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.566 -5.280 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.077 -4.936 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.460 -7.076 4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.893 -7.738 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.131 -8.462 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.808 -7.094 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.923 -5.842 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.706 -6.312 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.918 -7.309 6.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.034 -8.586 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.726 -7.629 7.594 1.00 0.00 H new ATOM 1521 N SER A 114 16.106 -7.642 4.105 1.00 0.00 N ATOM 1522 CA SER A 114 16.856 -8.870 4.348 1.00 0.00 C ATOM 1523 C SER A 114 18.352 -8.652 4.123 1.00 0.00 C ATOM 1524 O SER A 114 19.182 -9.370 4.681 1.00 0.00 O ATOM 1525 CB SER A 114 16.351 -9.987 3.434 1.00 0.00 C ATOM 1526 OG SER A 114 15.055 -10.414 3.817 1.00 0.00 O ATOM 0 H SER A 114 15.723 -7.562 3.163 1.00 0.00 H new ATOM 0 HA SER A 114 16.703 -9.159 5.388 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.331 -9.636 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.041 -10.830 3.470 1.00 0.00 H new ATOM 0 HG SER A 114 14.389 -9.776 3.486 1.00 0.00 H new