USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 597 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 53 ASN : amide:sc= 1.04 K(o=2.3,f=-0.42) USER MOD Set 1.2: A 55 THR OG1 : rot -53:sc= 1.31 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.354 K(o=1.2,f=0.43) USER MOD Set 2.2: A 58 THR OG1 : rot 77:sc= 0.808 USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -179:sc= 2.25 (180deg=0.975) USER MOD Set 3.2: A 25 THR OG1 : rot 81:sc= 1.16 USER MOD Set 3.3: A 31 TYR OH : rot -169:sc= 0.137 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -87:sc= 0.352 USER MOD Single : A 10 THR OG1 : rot 162:sc= -1.49! USER MOD Single : A 11 THR OG1 : rot 96:sc= 0.821 USER MOD Single : A 12 SER OG : rot 39:sc= 1.01 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.00356 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=-0.012) USER MOD Single : A 38 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.48) USER MOD Single : A 39 ASN : amide:sc= -0.828 K(o=-0.83,f=-0.29) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc=-0.00344 (180deg=-0.0891) USER MOD Single : A 65 SER OG : rot 86:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot -160:sc= 0.00902 USER MOD Single : A 69 ASN : amide:sc= -0.214 K(o=-0.21,f=-4.1) USER MOD Single : A 71 SER OG : rot 79:sc= 1.28 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 5.952 3.248 6.301 1.00 0.00 N ATOM 61 CA ALA A 5 6.369 3.903 5.080 1.00 0.00 C ATOM 62 C ALA A 5 5.366 3.675 3.954 1.00 0.00 C ATOM 63 O ALA A 5 5.435 4.318 2.894 1.00 0.00 O ATOM 64 CB ALA A 5 7.731 3.393 4.688 1.00 0.00 C ATOM 0 HA ALA A 5 6.417 4.978 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.052 3.882 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.444 3.611 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.684 2.316 4.528 1.00 0.00 H new ATOM 70 N LEU A 6 4.457 2.754 4.172 1.00 0.00 N ATOM 71 CA LEU A 6 3.429 2.448 3.213 1.00 0.00 C ATOM 72 C LEU A 6 2.071 2.428 3.854 1.00 0.00 C ATOM 73 O LEU A 6 1.831 1.720 4.841 1.00 0.00 O ATOM 74 CB LEU A 6 3.671 1.143 2.421 1.00 0.00 C ATOM 75 CG LEU A 6 4.063 -0.122 3.182 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.768 -1.339 2.323 1.00 0.00 C ATOM 77 CD2 LEU A 6 5.544 -0.105 3.503 1.00 0.00 C ATOM 0 H LEU A 6 4.412 2.195 5.024 1.00 0.00 H new ATOM 0 HA LEU A 6 3.471 3.257 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.761 0.923 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.453 1.343 1.689 1.00 0.00 H new ATOM 0 HG LEU A 6 3.491 -0.163 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.047 -2.243 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.704 -1.370 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.341 -1.279 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.809 -1.013 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.117 -0.055 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.773 0.765 4.118 1.00 0.00 H new ATOM 89 N THR A 7 1.211 3.219 3.318 1.00 0.00 N ATOM 90 CA THR A 7 -0.135 3.318 3.761 1.00 0.00 C ATOM 91 C THR A 7 -1.018 2.552 2.758 1.00 0.00 C ATOM 92 O THR A 7 -1.096 2.922 1.589 1.00 0.00 O ATOM 93 CB THR A 7 -0.524 4.804 3.787 1.00 0.00 C ATOM 94 OG1 THR A 7 0.550 5.547 4.405 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.776 5.017 4.601 1.00 0.00 C ATOM 0 H THR A 7 1.431 3.834 2.535 1.00 0.00 H new ATOM 0 HA THR A 7 -0.263 2.896 4.758 1.00 0.00 H new ATOM 0 HB THR A 7 -0.703 5.139 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.318 6.499 4.428 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.032 6.077 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.596 4.448 4.163 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.606 4.681 5.624 1.00 0.00 H new ATOM 103 N ILE A 8 -1.625 1.477 3.197 1.00 0.00 N ATOM 104 CA ILE A 8 -2.427 0.645 2.330 1.00 0.00 C ATOM 105 C ILE A 8 -3.892 0.910 2.594 1.00 0.00 C ATOM 106 O ILE A 8 -4.312 1.054 3.732 1.00 0.00 O ATOM 107 CB ILE A 8 -2.135 -0.882 2.529 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.664 -1.199 2.251 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.036 -1.742 1.633 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.320 -2.671 2.389 1.00 0.00 C ATOM 0 H ILE A 8 -1.578 1.153 4.163 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.168 0.899 1.302 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.354 -1.123 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.415 -0.870 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.042 -0.624 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.810 -2.796 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.081 -1.554 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.859 -1.488 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.739 -2.819 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.536 -3.002 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.915 -3.251 1.684 1.00 0.00 H new ATOM 122 N TYR A 9 -4.642 1.008 1.566 1.00 0.00 N ATOM 123 CA TYR A 9 -6.048 1.190 1.678 1.00 0.00 C ATOM 124 C TYR A 9 -6.716 -0.186 1.677 1.00 0.00 C ATOM 125 O TYR A 9 -6.545 -0.951 0.737 1.00 0.00 O ATOM 126 CB TYR A 9 -6.525 2.075 0.525 1.00 0.00 C ATOM 127 CG TYR A 9 -5.882 3.459 0.542 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.334 4.446 1.405 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.809 3.764 -0.287 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.741 5.694 1.437 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.211 5.005 -0.257 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.681 5.965 0.603 1.00 0.00 C ATOM 133 OH TYR A 9 -4.083 7.199 0.634 1.00 0.00 O ATOM 0 H TYR A 9 -4.299 0.964 0.606 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.316 1.691 2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.298 1.585 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.609 2.181 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.164 4.236 2.064 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.436 3.013 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.108 6.452 2.113 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.376 5.221 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.559 7.808 0.032 1.00 0.00 H new ATOM 143 N THR A 10 -7.403 -0.525 2.761 1.00 0.00 N ATOM 144 CA THR A 10 -8.038 -1.829 2.890 1.00 0.00 C ATOM 145 C THR A 10 -9.517 -1.709 3.274 1.00 0.00 C ATOM 146 O THR A 10 -10.104 -0.616 3.248 1.00 0.00 O ATOM 147 CB THR A 10 -7.318 -2.689 3.950 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.186 -1.941 5.158 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.951 -3.148 3.465 1.00 0.00 C ATOM 0 H THR A 10 -7.534 0.088 3.566 1.00 0.00 H new ATOM 0 HA THR A 10 -7.966 -2.308 1.914 1.00 0.00 H new ATOM 0 HB THR A 10 -7.918 -3.581 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.001 -2.551 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.474 -3.751 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.067 -3.744 2.560 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.331 -2.278 3.249 1.00 0.00 H new ATOM 157 N THR A 11 -10.124 -2.838 3.569 1.00 0.00 N ATOM 158 CA THR A 11 -11.491 -2.952 4.001 1.00 0.00 C ATOM 159 C THR A 11 -11.558 -4.283 4.793 1.00 0.00 C ATOM 160 O THR A 11 -10.757 -5.181 4.498 1.00 0.00 O ATOM 161 CB THR A 11 -12.456 -2.975 2.741 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.185 -1.810 1.920 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.904 -2.897 3.174 1.00 0.00 C ATOM 0 H THR A 11 -9.652 -3.740 3.510 1.00 0.00 H new ATOM 0 HA THR A 11 -11.808 -2.112 4.619 1.00 0.00 H new ATOM 0 HB THR A 11 -12.283 -3.901 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.564 -2.053 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.548 -2.914 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.139 -3.748 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.069 -1.972 3.727 1.00 0.00 H new ATOM 171 N SER A 12 -12.394 -4.367 5.849 1.00 0.00 N ATOM 172 CA SER A 12 -12.568 -5.625 6.606 1.00 0.00 C ATOM 173 C SER A 12 -12.996 -6.715 5.637 1.00 0.00 C ATOM 174 O SER A 12 -12.447 -7.832 5.637 1.00 0.00 O ATOM 175 CB SER A 12 -13.592 -5.456 7.731 1.00 0.00 C ATOM 176 OG SER A 12 -13.241 -4.364 8.581 1.00 0.00 O ATOM 0 H SER A 12 -12.954 -3.588 6.194 1.00 0.00 H new ATOM 0 HA SER A 12 -11.624 -5.902 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.581 -5.287 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.649 -6.374 8.316 1.00 0.00 H new ATOM 0 HG SER A 12 -12.888 -3.628 8.039 1.00 0.00 H new ATOM 182 N TRP A 13 -13.984 -6.385 4.816 1.00 0.00 N ATOM 183 CA TRP A 13 -14.278 -7.164 3.661 1.00 0.00 C ATOM 184 C TRP A 13 -13.064 -7.018 2.736 1.00 0.00 C ATOM 185 O TRP A 13 -12.756 -5.935 2.233 1.00 0.00 O ATOM 186 CB TRP A 13 -15.666 -6.741 3.040 1.00 0.00 C ATOM 187 CG TRP A 13 -15.640 -6.510 1.583 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.168 -7.356 0.654 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.126 -5.374 0.879 1.00 0.00 C ATOM 190 NE1 TRP A 13 -15.189 -6.791 -0.540 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.825 -5.585 -0.466 1.00 0.00 C ATOM 192 CE3 TRP A 13 -16.765 -4.194 1.253 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.130 -4.658 -1.452 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -17.084 -3.278 0.277 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.768 -3.514 -1.064 1.00 0.00 C ATOM 0 H TRP A 13 -14.589 -5.574 4.946 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.416 -8.223 3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.399 -7.517 3.259 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.008 -5.831 3.533 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -14.820 -8.358 0.855 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -14.791 -7.194 -1.388 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -17.005 -4.002 2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.873 -4.834 -2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -17.586 -2.362 0.551 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -17.033 -2.777 -1.808 1.00 0.00 H new ATOM 206 N CYS A 14 -12.357 -8.091 2.578 1.00 0.00 N ATOM 207 CA CYS A 14 -11.137 -8.088 1.849 1.00 0.00 C ATOM 208 C CYS A 14 -10.913 -9.444 1.221 1.00 0.00 C ATOM 209 O CYS A 14 -10.855 -10.466 1.920 1.00 0.00 O ATOM 210 CB CYS A 14 -9.976 -7.727 2.789 1.00 0.00 C ATOM 211 SG CYS A 14 -8.343 -7.766 2.026 1.00 0.00 S ATOM 0 H CYS A 14 -12.616 -9.002 2.957 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.188 -7.343 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.150 -6.729 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.983 -8.416 3.633 1.00 0.00 H new ATOM 216 N GLY A 15 -10.819 -9.463 -0.087 1.00 0.00 N ATOM 217 CA GLY A 15 -10.588 -10.690 -0.779 1.00 0.00 C ATOM 218 C GLY A 15 -9.245 -10.691 -1.451 1.00 0.00 C ATOM 219 O GLY A 15 -8.306 -11.347 -0.993 1.00 0.00 O ATOM 0 H GLY A 15 -10.900 -8.640 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.647 -11.522 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.370 -10.844 -1.523 1.00 0.00 H new ATOM 223 N TYR A 16 -9.128 -9.893 -2.482 1.00 0.00 N ATOM 224 CA TYR A 16 -7.928 -9.816 -3.288 1.00 0.00 C ATOM 225 C TYR A 16 -6.811 -9.072 -2.545 1.00 0.00 C ATOM 226 O TYR A 16 -5.631 -9.362 -2.723 1.00 0.00 O ATOM 227 CB TYR A 16 -8.260 -9.135 -4.621 1.00 0.00 C ATOM 228 CG TYR A 16 -7.100 -8.992 -5.563 1.00 0.00 C ATOM 229 CD1 TYR A 16 -6.711 -10.039 -6.370 1.00 0.00 C ATOM 230 CD2 TYR A 16 -6.399 -7.804 -5.648 1.00 0.00 C ATOM 231 CE1 TYR A 16 -5.657 -9.908 -7.235 1.00 0.00 C ATOM 232 CE2 TYR A 16 -5.342 -7.667 -6.507 1.00 0.00 C ATOM 233 CZ TYR A 16 -4.976 -8.720 -7.296 1.00 0.00 C ATOM 234 OH TYR A 16 -3.934 -8.586 -8.172 1.00 0.00 O ATOM 0 H TYR A 16 -9.872 -9.268 -2.792 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.563 -10.824 -3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.045 -9.705 -5.118 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.667 -8.145 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.245 -10.976 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.690 -6.970 -5.027 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.365 -10.735 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.802 -6.733 -6.560 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.556 -7.685 -8.095 1.00 0.00 H new ATOM 244 N CYS A 17 -7.192 -8.144 -1.696 1.00 0.00 N ATOM 245 CA CYS A 17 -6.233 -7.362 -0.908 1.00 0.00 C ATOM 246 C CYS A 17 -5.416 -8.242 0.067 1.00 0.00 C ATOM 247 O CYS A 17 -4.253 -7.935 0.373 1.00 0.00 O ATOM 248 CB CYS A 17 -6.974 -6.250 -0.162 1.00 0.00 C ATOM 249 SG CYS A 17 -8.639 -6.720 0.335 1.00 0.00 S ATOM 0 H CYS A 17 -8.168 -7.902 -1.524 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.512 -6.918 -1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.402 -5.971 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.027 -5.367 -0.798 1.00 0.00 H new ATOM 254 N LEU A 18 -6.013 -9.360 0.492 1.00 0.00 N ATOM 255 CA LEU A 18 -5.404 -10.288 1.458 1.00 0.00 C ATOM 256 C LEU A 18 -4.118 -10.889 0.860 1.00 0.00 C ATOM 257 O LEU A 18 -3.110 -11.064 1.561 1.00 0.00 O ATOM 258 CB LEU A 18 -6.452 -11.389 1.819 1.00 0.00 C ATOM 259 CG LEU A 18 -6.214 -12.306 3.058 1.00 0.00 C ATOM 260 CD1 LEU A 18 -5.039 -13.261 2.886 1.00 0.00 C ATOM 261 CD2 LEU A 18 -6.058 -11.475 4.322 1.00 0.00 C ATOM 0 H LEU A 18 -6.938 -9.651 0.175 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.123 -9.766 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.411 -10.891 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.556 -12.037 0.949 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.102 -12.931 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.930 -13.869 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.220 -13.909 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.126 -12.689 2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.893 -12.135 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.206 -10.803 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.963 -10.890 4.487 1.00 0.00 H new ATOM 273 N ARG A 19 -4.161 -11.119 -0.456 1.00 0.00 N ATOM 274 CA ARG A 19 -3.062 -11.706 -1.243 1.00 0.00 C ATOM 275 C ARG A 19 -1.748 -10.961 -1.004 1.00 0.00 C ATOM 276 O ARG A 19 -0.685 -11.569 -0.782 1.00 0.00 O ATOM 277 CB ARG A 19 -3.429 -11.606 -2.726 1.00 0.00 C ATOM 278 CG ARG A 19 -2.392 -12.146 -3.692 1.00 0.00 C ATOM 279 CD ARG A 19 -2.819 -11.907 -5.127 1.00 0.00 C ATOM 280 NE ARG A 19 -1.884 -12.496 -6.081 1.00 0.00 N ATOM 281 CZ ARG A 19 -1.783 -12.167 -7.373 1.00 0.00 C ATOM 282 NH1 ARG A 19 -2.477 -11.150 -7.874 1.00 0.00 N ATOM 283 NH2 ARG A 19 -0.966 -12.846 -8.157 1.00 0.00 N ATOM 0 H ARG A 19 -4.980 -10.898 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.924 -12.744 -0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.365 -12.141 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.615 -10.559 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.431 -11.665 -3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.251 -13.213 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.812 -12.329 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.895 -10.835 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.255 -13.219 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.097 -10.609 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.390 -10.911 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.417 -13.616 -7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.884 -12.600 -9.144 1.00 0.00 H new ATOM 297 N LEU A 20 -1.837 -9.662 -1.030 1.00 0.00 N ATOM 298 CA LEU A 20 -0.684 -8.805 -0.878 1.00 0.00 C ATOM 299 C LEU A 20 -0.383 -8.600 0.601 1.00 0.00 C ATOM 300 O LEU A 20 0.768 -8.659 1.029 1.00 0.00 O ATOM 301 CB LEU A 20 -0.978 -7.460 -1.531 1.00 0.00 C ATOM 302 CG LEU A 20 0.092 -6.370 -1.430 1.00 0.00 C ATOM 303 CD1 LEU A 20 1.200 -6.517 -2.482 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.557 -5.001 -1.475 1.00 0.00 C ATOM 0 H LEU A 20 -2.715 -9.159 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 20 0.181 -9.267 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.177 -7.637 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.897 -7.069 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 20 0.591 -6.487 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.928 -5.715 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.696 -7.480 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.764 -6.461 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.212 -4.231 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.099 -4.886 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.251 -4.900 -0.641 1.00 0.00 H new ATOM 316 N LYS A 21 -1.445 -8.393 1.360 1.00 0.00 N ATOM 317 CA LYS A 21 -1.393 -8.101 2.784 1.00 0.00 C ATOM 318 C LYS A 21 -0.566 -9.137 3.569 1.00 0.00 C ATOM 319 O LYS A 21 0.338 -8.775 4.347 1.00 0.00 O ATOM 320 CB LYS A 21 -2.830 -8.014 3.320 1.00 0.00 C ATOM 321 CG LYS A 21 -2.940 -7.816 4.807 1.00 0.00 C ATOM 322 CD LYS A 21 -4.383 -7.700 5.255 1.00 0.00 C ATOM 323 CE LYS A 21 -4.502 -7.753 6.778 1.00 0.00 C ATOM 324 NZ LYS A 21 -3.703 -6.712 7.456 1.00 0.00 N ATOM 0 H LYS A 21 -2.396 -8.424 0.993 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.885 -7.147 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.340 -7.191 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.359 -8.928 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.466 -8.652 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.397 -6.916 5.095 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.805 -6.764 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.968 -8.508 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.549 -7.640 7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.182 -8.734 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.810 -6.808 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.701 -6.822 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.035 -5.772 7.160 1.00 0.00 H new ATOM 338 N THR A 22 -0.834 -10.405 3.343 1.00 0.00 N ATOM 339 CA THR A 22 -0.128 -11.433 4.063 1.00 0.00 C ATOM 340 C THR A 22 1.321 -11.591 3.550 1.00 0.00 C ATOM 341 O THR A 22 2.231 -11.921 4.319 1.00 0.00 O ATOM 342 CB THR A 22 -0.894 -12.797 4.068 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.224 -13.731 4.925 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.013 -13.389 2.666 1.00 0.00 C ATOM 0 H THR A 22 -1.527 -10.742 2.675 1.00 0.00 H new ATOM 0 HA THR A 22 -0.075 -11.107 5.102 1.00 0.00 H new ATOM 0 HB THR A 22 -1.901 -12.605 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.710 -14.582 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.551 -14.335 2.715 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.556 -12.696 2.023 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.017 -13.559 2.257 1.00 0.00 H new ATOM 352 N ALA A 23 1.537 -11.276 2.275 1.00 0.00 N ATOM 353 CA ALA A 23 2.854 -11.395 1.655 1.00 0.00 C ATOM 354 C ALA A 23 3.806 -10.397 2.255 1.00 0.00 C ATOM 355 O ALA A 23 4.947 -10.727 2.561 1.00 0.00 O ATOM 356 CB ALA A 23 2.755 -11.187 0.156 1.00 0.00 C ATOM 0 H ALA A 23 0.810 -10.934 1.647 1.00 0.00 H new ATOM 0 HA ALA A 23 3.234 -12.399 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.745 -11.279 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.092 -11.939 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.356 -10.193 -0.048 1.00 0.00 H new ATOM 362 N LEU A 24 3.321 -9.192 2.453 1.00 0.00 N ATOM 363 CA LEU A 24 4.124 -8.126 3.015 1.00 0.00 C ATOM 364 C LEU A 24 4.508 -8.451 4.442 1.00 0.00 C ATOM 365 O LEU A 24 5.669 -8.315 4.831 1.00 0.00 O ATOM 366 CB LEU A 24 3.363 -6.810 2.964 1.00 0.00 C ATOM 367 CG LEU A 24 2.902 -6.347 1.585 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.281 -4.979 1.681 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.046 -6.359 0.582 1.00 0.00 C ATOM 0 H LEU A 24 2.363 -8.922 2.230 1.00 0.00 H new ATOM 0 HA LEU A 24 5.034 -8.029 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.486 -6.897 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.996 -6.032 3.392 1.00 0.00 H new ATOM 0 HG LEU A 24 2.149 -7.048 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.955 -4.657 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.423 -5.015 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.015 -4.273 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.682 -6.024 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.836 -5.691 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.440 -7.371 0.492 1.00 0.00 H new ATOM 381 N THR A 25 3.541 -8.937 5.189 1.00 0.00 N ATOM 382 CA THR A 25 3.725 -9.308 6.572 1.00 0.00 C ATOM 383 C THR A 25 4.803 -10.411 6.711 1.00 0.00 C ATOM 384 O THR A 25 5.710 -10.308 7.540 1.00 0.00 O ATOM 385 CB THR A 25 2.378 -9.775 7.169 1.00 0.00 C ATOM 386 OG1 THR A 25 1.382 -8.735 6.966 1.00 0.00 O ATOM 387 CG2 THR A 25 2.507 -10.057 8.662 1.00 0.00 C ATOM 0 H THR A 25 2.592 -9.087 4.846 1.00 0.00 H new ATOM 0 HA THR A 25 4.073 -8.437 7.126 1.00 0.00 H new ATOM 0 HB THR A 25 2.078 -10.695 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.033 -8.790 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.544 -10.384 9.055 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.249 -10.840 8.822 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.820 -9.149 9.178 1.00 0.00 H new ATOM 395 N ALA A 26 4.748 -11.408 5.831 1.00 0.00 N ATOM 396 CA ALA A 26 5.698 -12.518 5.864 1.00 0.00 C ATOM 397 C ALA A 26 7.081 -12.103 5.351 1.00 0.00 C ATOM 398 O ALA A 26 8.059 -12.842 5.494 1.00 0.00 O ATOM 399 CB ALA A 26 5.165 -13.695 5.065 1.00 0.00 C ATOM 0 H ALA A 26 4.055 -11.470 5.085 1.00 0.00 H new ATOM 0 HA ALA A 26 5.814 -12.819 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.884 -14.514 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.218 -14.026 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.010 -13.392 4.030 1.00 0.00 H new ATOM 405 N ASN A 27 7.154 -10.925 4.776 1.00 0.00 N ATOM 406 CA ASN A 27 8.390 -10.397 4.219 1.00 0.00 C ATOM 407 C ASN A 27 8.940 -9.250 5.045 1.00 0.00 C ATOM 408 O ASN A 27 9.816 -8.518 4.585 1.00 0.00 O ATOM 409 CB ASN A 27 8.204 -9.972 2.754 1.00 0.00 C ATOM 410 CG ASN A 27 8.349 -11.123 1.781 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.453 -11.431 1.326 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.257 -11.752 1.435 1.00 0.00 N ATOM 0 H ASN A 27 6.356 -10.298 4.678 1.00 0.00 H new ATOM 0 HA ASN A 27 9.122 -11.204 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.218 -9.524 2.634 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.936 -9.202 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.302 -12.524 0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.360 -11.471 1.831 1.00 0.00 H new ATOM 419 N ARG A 28 8.436 -9.120 6.284 1.00 0.00 N ATOM 420 CA ARG A 28 8.884 -8.097 7.268 1.00 0.00 C ATOM 421 C ARG A 28 8.514 -6.681 6.850 1.00 0.00 C ATOM 422 O ARG A 28 9.049 -5.696 7.392 1.00 0.00 O ATOM 423 CB ARG A 28 10.399 -8.164 7.539 1.00 0.00 C ATOM 424 CG ARG A 28 10.891 -9.492 8.053 1.00 0.00 C ATOM 425 CD ARG A 28 12.362 -9.436 8.426 1.00 0.00 C ATOM 426 NE ARG A 28 13.248 -9.066 7.308 1.00 0.00 N ATOM 427 CZ ARG A 28 14.590 -9.125 7.366 1.00 0.00 C ATOM 428 NH1 ARG A 28 15.191 -9.513 8.490 1.00 0.00 N ATOM 429 NH2 ARG A 28 15.326 -8.787 6.308 1.00 0.00 N ATOM 0 H ARG A 28 7.697 -9.725 6.643 1.00 0.00 H new ATOM 0 HA ARG A 28 8.352 -8.339 8.188 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.930 -7.928 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.659 -7.391 8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.305 -9.786 8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.737 -10.257 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.495 -8.717 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.666 -10.409 8.811 1.00 0.00 H new ATOM 0 HE ARG A 28 12.818 -8.747 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.633 -9.765 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.209 -9.558 8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.872 -8.481 5.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.344 -8.834 6.359 1.00 0.00 H new ATOM 443 N ILE A 29 7.599 -6.561 5.940 1.00 0.00 N ATOM 444 CA ILE A 29 7.183 -5.271 5.482 1.00 0.00 C ATOM 445 C ILE A 29 6.013 -4.811 6.334 1.00 0.00 C ATOM 446 O ILE A 29 4.975 -5.482 6.397 1.00 0.00 O ATOM 447 CB ILE A 29 6.779 -5.290 3.985 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.960 -5.781 3.112 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.321 -3.897 3.553 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.642 -5.899 1.634 1.00 0.00 C ATOM 0 H ILE A 29 7.122 -7.346 5.496 1.00 0.00 H new ATOM 0 HA ILE A 29 8.020 -4.580 5.577 1.00 0.00 H new ATOM 0 HB ILE A 29 5.950 -5.985 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.798 -5.095 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.287 -6.754 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.039 -3.917 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.463 -3.594 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.134 -3.186 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.525 -6.249 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.827 -6.609 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.345 -4.924 1.247 1.00 0.00 H new ATOM 462 N ALA A 30 6.198 -3.722 7.027 1.00 0.00 N ATOM 463 CA ALA A 30 5.167 -3.180 7.865 1.00 0.00 C ATOM 464 C ALA A 30 4.418 -2.121 7.114 1.00 0.00 C ATOM 465 O ALA A 30 5.020 -1.301 6.422 1.00 0.00 O ATOM 466 CB ALA A 30 5.764 -2.601 9.116 1.00 0.00 C ATOM 0 H ALA A 30 7.066 -3.187 7.026 1.00 0.00 H new ATOM 0 HA ALA A 30 4.479 -3.977 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.971 -2.193 9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.293 -3.382 9.662 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.462 -1.807 8.852 1.00 0.00 H new ATOM 472 N TYR A 31 3.140 -2.122 7.253 1.00 0.00 N ATOM 473 CA TYR A 31 2.297 -1.204 6.547 1.00 0.00 C ATOM 474 C TYR A 31 1.251 -0.647 7.474 1.00 0.00 C ATOM 475 O TYR A 31 1.117 -1.091 8.618 1.00 0.00 O ATOM 476 CB TYR A 31 1.639 -1.911 5.346 1.00 0.00 C ATOM 477 CG TYR A 31 0.913 -3.190 5.711 1.00 0.00 C ATOM 478 CD1 TYR A 31 -0.418 -3.174 6.112 1.00 0.00 C ATOM 479 CD2 TYR A 31 1.573 -4.411 5.676 1.00 0.00 C ATOM 480 CE1 TYR A 31 -1.063 -4.333 6.465 1.00 0.00 C ATOM 481 CE2 TYR A 31 0.935 -5.570 6.036 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.381 -5.526 6.429 1.00 0.00 C ATOM 483 OH TYR A 31 -1.012 -6.679 6.810 1.00 0.00 O ATOM 0 H TYR A 31 2.638 -2.765 7.865 1.00 0.00 H new ATOM 0 HA TYR A 31 2.902 -0.378 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.934 -1.226 4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.406 -2.138 4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.952 -2.236 6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.605 -4.448 5.360 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.099 -4.308 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.463 -6.512 6.011 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.354 -7.401 6.891 1.00 0.00 H new ATOM 493 N ASP A 32 0.537 0.326 7.016 1.00 0.00 N ATOM 494 CA ASP A 32 -0.552 0.865 7.784 1.00 0.00 C ATOM 495 C ASP A 32 -1.773 0.891 6.926 1.00 0.00 C ATOM 496 O ASP A 32 -1.768 1.521 5.878 1.00 0.00 O ATOM 497 CB ASP A 32 -0.234 2.260 8.307 1.00 0.00 C ATOM 498 CG ASP A 32 -1.301 2.752 9.243 1.00 0.00 C ATOM 499 OD1 ASP A 32 -1.383 2.218 10.371 1.00 0.00 O ATOM 500 OD2 ASP A 32 -2.044 3.676 8.889 1.00 0.00 O ATOM 0 H ASP A 32 0.683 0.771 6.110 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.720 0.231 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.726 2.247 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.136 2.951 7.469 1.00 0.00 H new ATOM 505 N GLU A 33 -2.784 0.166 7.319 1.00 0.00 N ATOM 506 CA GLU A 33 -3.992 0.091 6.539 1.00 0.00 C ATOM 507 C GLU A 33 -5.025 1.103 7.037 1.00 0.00 C ATOM 508 O GLU A 33 -5.240 1.249 8.252 1.00 0.00 O ATOM 509 CB GLU A 33 -4.526 -1.333 6.496 1.00 0.00 C ATOM 510 CG GLU A 33 -4.900 -1.929 7.829 1.00 0.00 C ATOM 511 CD GLU A 33 -5.376 -3.339 7.683 1.00 0.00 C ATOM 512 OE1 GLU A 33 -6.534 -3.549 7.266 1.00 0.00 O ATOM 513 OE2 GLU A 33 -4.583 -4.270 7.954 1.00 0.00 O ATOM 0 H GLU A 33 -2.797 -0.384 8.178 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.762 0.364 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.404 -1.353 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.773 -1.970 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.038 -1.902 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.681 -1.326 8.292 1.00 0.00 H new ATOM 520 N VAL A 34 -5.644 1.793 6.103 1.00 0.00 N ATOM 521 CA VAL A 34 -6.514 2.923 6.400 1.00 0.00 C ATOM 522 C VAL A 34 -7.967 2.536 6.734 1.00 0.00 C ATOM 523 O VAL A 34 -8.587 1.703 6.083 1.00 0.00 O ATOM 524 CB VAL A 34 -6.507 3.961 5.241 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.228 5.244 5.629 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.098 4.262 4.801 1.00 0.00 C ATOM 0 H VAL A 34 -5.560 1.588 5.107 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.093 3.367 7.302 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.047 3.517 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.201 5.943 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.264 5.017 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.735 5.691 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.118 4.990 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.534 4.669 5.640 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.621 3.345 4.454 1.00 0.00 H new ATOM 536 N ASP A 35 -8.478 3.252 7.717 1.00 0.00 N ATOM 537 CA ASP A 35 -9.838 3.207 8.310 1.00 0.00 C ATOM 538 C ASP A 35 -11.004 3.480 7.299 1.00 0.00 C ATOM 539 O ASP A 35 -12.154 3.497 7.695 1.00 0.00 O ATOM 540 CB ASP A 35 -9.899 4.205 9.491 1.00 0.00 C ATOM 541 CG ASP A 35 -11.102 4.023 10.409 1.00 0.00 C ATOM 542 OD1 ASP A 35 -11.087 3.068 11.233 1.00 0.00 O ATOM 543 OD2 ASP A 35 -12.040 4.853 10.379 1.00 0.00 O ATOM 0 H ASP A 35 -7.907 3.958 8.181 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.998 2.184 8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.988 4.106 10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.912 5.220 9.093 1.00 0.00 H new ATOM 548 N ILE A 36 -10.682 3.718 6.009 1.00 0.00 N ATOM 549 CA ILE A 36 -11.629 4.244 4.944 1.00 0.00 C ATOM 550 C ILE A 36 -13.046 3.627 4.899 1.00 0.00 C ATOM 551 O ILE A 36 -13.947 4.224 4.317 1.00 0.00 O ATOM 552 CB ILE A 36 -11.072 4.084 3.508 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.809 2.613 3.193 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.819 4.908 3.304 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.728 2.319 1.714 1.00 0.00 C ATOM 0 H ILE A 36 -9.742 3.553 5.649 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.711 5.285 5.257 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.828 4.456 2.816 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.876 2.309 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.602 2.008 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.456 4.772 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.045 5.961 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.053 4.585 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.539 1.256 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.669 2.591 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.917 2.897 1.272 1.00 0.00 H new ATOM 567 N GLU A 37 -13.249 2.460 5.445 1.00 0.00 N ATOM 568 CA GLU A 37 -14.578 1.891 5.443 1.00 0.00 C ATOM 569 C GLU A 37 -15.475 2.629 6.450 1.00 0.00 C ATOM 570 O GLU A 37 -16.702 2.649 6.328 1.00 0.00 O ATOM 571 CB GLU A 37 -14.532 0.403 5.694 1.00 0.00 C ATOM 572 CG GLU A 37 -13.997 -0.002 7.036 1.00 0.00 C ATOM 573 CD GLU A 37 -14.067 -1.477 7.224 1.00 0.00 C ATOM 574 OE1 GLU A 37 -15.176 -2.005 7.447 1.00 0.00 O ATOM 575 OE2 GLU A 37 -13.033 -2.140 7.168 1.00 0.00 O ATOM 0 H GLU A 37 -12.530 1.890 5.890 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.018 2.025 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.539 0.001 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.919 -0.061 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.963 0.330 7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.567 0.494 7.822 1.00 0.00 H new ATOM 582 N HIS A 38 -14.840 3.243 7.424 1.00 0.00 N ATOM 583 CA HIS A 38 -15.510 4.077 8.389 1.00 0.00 C ATOM 584 C HIS A 38 -15.201 5.528 8.053 1.00 0.00 C ATOM 585 O HIS A 38 -16.097 6.368 7.963 1.00 0.00 O ATOM 586 CB HIS A 38 -15.003 3.799 9.820 1.00 0.00 C ATOM 587 CG HIS A 38 -15.273 2.430 10.373 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.274 2.153 11.274 1.00 0.00 N ATOM 589 CD2 HIS A 38 -14.607 1.265 10.190 1.00 0.00 C ATOM 590 CE1 HIS A 38 -16.193 0.866 11.609 1.00 0.00 C ATOM 591 NE2 HIS A 38 -15.191 0.275 10.975 1.00 0.00 N ATOM 0 H HIS A 38 -13.832 3.174 7.567 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.579 3.868 8.350 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.926 3.968 9.839 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.453 4.532 10.490 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.757 1.126 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.855 0.371 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.907 -0.702 11.047 1.00 0.00 H new ATOM 599 N ASN A 39 -13.923 5.800 7.816 1.00 0.00 N ATOM 600 CA ASN A 39 -13.447 7.157 7.537 1.00 0.00 C ATOM 601 C ASN A 39 -13.750 7.547 6.110 1.00 0.00 C ATOM 602 O ASN A 39 -13.009 7.177 5.186 1.00 0.00 O ATOM 603 CB ASN A 39 -11.935 7.268 7.736 1.00 0.00 C ATOM 604 CG ASN A 39 -11.428 8.709 7.669 1.00 0.00 C ATOM 605 OD1 ASN A 39 -12.059 9.625 8.177 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.381 8.934 6.924 1.00 0.00 N ATOM 0 H ASN A 39 -13.188 5.093 7.811 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.963 7.820 8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.669 6.840 8.702 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.429 6.675 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.072 9.891 6.754 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.871 8.153 6.511 1.00 0.00 H new ATOM 613 N ARG A 40 -14.805 8.300 5.919 1.00 0.00 N ATOM 614 CA ARG A 40 -15.196 8.733 4.588 1.00 0.00 C ATOM 615 C ARG A 40 -14.180 9.700 3.993 1.00 0.00 C ATOM 616 O ARG A 40 -13.968 9.707 2.792 1.00 0.00 O ATOM 617 CB ARG A 40 -16.599 9.355 4.568 1.00 0.00 C ATOM 618 CG ARG A 40 -16.781 10.522 5.523 1.00 0.00 C ATOM 619 CD ARG A 40 -18.102 11.224 5.304 1.00 0.00 C ATOM 620 NE ARG A 40 -18.152 11.923 4.006 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.198 12.617 3.550 1.00 0.00 C ATOM 622 NH1 ARG A 40 -20.368 12.553 4.175 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.071 13.351 2.443 1.00 0.00 N ATOM 0 H ARG A 40 -15.414 8.630 6.667 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.222 7.836 3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.819 9.692 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.329 8.583 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.726 10.163 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.965 11.232 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.911 10.496 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.268 11.941 6.108 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.325 11.872 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.471 11.972 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.164 13.085 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.179 13.380 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.866 13.883 2.090 1.00 0.00 H new ATOM 637 N ALA A 41 -13.514 10.467 4.853 1.00 0.00 N ATOM 638 CA ALA A 41 -12.555 11.476 4.413 1.00 0.00 C ATOM 639 C ALA A 41 -11.435 10.904 3.547 1.00 0.00 C ATOM 640 O ALA A 41 -11.117 11.452 2.483 1.00 0.00 O ATOM 641 CB ALA A 41 -12.033 12.290 5.579 1.00 0.00 C ATOM 0 H ALA A 41 -13.623 10.408 5.865 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.100 12.159 3.761 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.322 13.032 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.864 12.795 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.537 11.630 6.291 1.00 0.00 H new ATOM 647 N ALA A 42 -10.880 9.790 3.959 1.00 0.00 N ATOM 648 CA ALA A 42 -9.832 9.162 3.179 1.00 0.00 C ATOM 649 C ALA A 42 -10.434 8.254 2.113 1.00 0.00 C ATOM 650 O ALA A 42 -9.815 7.991 1.092 1.00 0.00 O ATOM 651 CB ALA A 42 -8.869 8.395 4.069 1.00 0.00 C ATOM 0 H ALA A 42 -11.130 9.301 4.819 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.263 9.946 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.094 7.935 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.409 9.079 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.412 7.619 4.609 1.00 0.00 H new ATOM 657 N ALA A 43 -11.661 7.802 2.342 1.00 0.00 N ATOM 658 CA ALA A 43 -12.354 6.931 1.395 1.00 0.00 C ATOM 659 C ALA A 43 -12.625 7.674 0.101 1.00 0.00 C ATOM 660 O ALA A 43 -12.450 7.134 -0.995 1.00 0.00 O ATOM 661 CB ALA A 43 -13.648 6.425 1.993 1.00 0.00 C ATOM 0 H ALA A 43 -12.200 8.024 3.179 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.716 6.074 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.152 5.778 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.433 5.862 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.292 7.270 2.234 1.00 0.00 H new ATOM 667 N GLU A 44 -13.007 8.928 0.243 1.00 0.00 N ATOM 668 CA GLU A 44 -13.258 9.814 -0.882 1.00 0.00 C ATOM 669 C GLU A 44 -11.967 10.090 -1.668 1.00 0.00 C ATOM 670 O GLU A 44 -12.005 10.407 -2.858 1.00 0.00 O ATOM 671 CB GLU A 44 -13.891 11.109 -0.380 1.00 0.00 C ATOM 672 CG GLU A 44 -15.294 10.916 0.177 1.00 0.00 C ATOM 673 CD GLU A 44 -15.844 12.143 0.857 1.00 0.00 C ATOM 674 OE1 GLU A 44 -15.835 13.235 0.257 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.346 12.031 2.001 1.00 0.00 O ATOM 0 H GLU A 44 -13.154 9.367 1.152 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.952 9.328 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.256 11.539 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.928 11.828 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.963 10.630 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.284 10.090 0.888 1.00 0.00 H new ATOM 682 N PHE A 45 -10.832 9.950 -0.999 1.00 0.00 N ATOM 683 CA PHE A 45 -9.537 10.109 -1.640 1.00 0.00 C ATOM 684 C PHE A 45 -9.258 8.880 -2.496 1.00 0.00 C ATOM 685 O PHE A 45 -8.742 8.983 -3.612 1.00 0.00 O ATOM 686 CB PHE A 45 -8.427 10.313 -0.590 1.00 0.00 C ATOM 687 CG PHE A 45 -7.040 10.498 -1.161 1.00 0.00 C ATOM 688 CD1 PHE A 45 -6.668 11.704 -1.726 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.106 9.469 -1.113 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.396 11.885 -2.237 1.00 0.00 C ATOM 691 CE2 PHE A 45 -4.831 9.647 -1.626 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.478 10.857 -2.187 1.00 0.00 C ATOM 0 H PHE A 45 -10.783 9.725 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.551 10.996 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.675 11.185 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.417 9.453 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.380 12.515 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.377 8.521 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.121 12.833 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.115 8.840 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.485 10.999 -2.586 1.00 0.00 H new ATOM 702 N VAL A 46 -9.654 7.721 -1.983 1.00 0.00 N ATOM 703 CA VAL A 46 -9.481 6.460 -2.692 1.00 0.00 C ATOM 704 C VAL A 46 -10.338 6.453 -3.949 1.00 0.00 C ATOM 705 O VAL A 46 -9.888 6.046 -5.008 1.00 0.00 O ATOM 706 CB VAL A 46 -9.849 5.237 -1.813 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.545 3.930 -2.540 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.104 5.289 -0.502 1.00 0.00 C ATOM 0 H VAL A 46 -10.101 7.629 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.426 6.377 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.920 5.275 -1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.812 3.088 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.123 3.884 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.482 3.884 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.373 4.424 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.031 5.279 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.369 6.202 0.031 1.00 0.00 H new ATOM 718 N GLY A 47 -11.559 6.950 -3.821 1.00 0.00 N ATOM 719 CA GLY A 47 -12.462 7.029 -4.960 1.00 0.00 C ATOM 720 C GLY A 47 -11.998 8.054 -5.987 1.00 0.00 C ATOM 721 O GLY A 47 -12.365 7.987 -7.159 1.00 0.00 O ATOM 0 H GLY A 47 -11.946 7.303 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.535 6.050 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.461 7.291 -4.613 1.00 0.00 H new ATOM 725 N SER A 48 -11.197 8.998 -5.542 1.00 0.00 N ATOM 726 CA SER A 48 -10.670 10.010 -6.411 1.00 0.00 C ATOM 727 C SER A 48 -9.443 9.468 -7.168 1.00 0.00 C ATOM 728 O SER A 48 -9.288 9.705 -8.373 1.00 0.00 O ATOM 729 CB SER A 48 -10.319 11.270 -5.598 1.00 0.00 C ATOM 730 OG SER A 48 -9.958 12.358 -6.433 1.00 0.00 O ATOM 0 H SER A 48 -10.898 9.080 -4.570 1.00 0.00 H new ATOM 0 HA SER A 48 -11.424 10.285 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.173 11.553 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.496 11.046 -4.919 1.00 0.00 H new ATOM 0 HG SER A 48 -9.744 13.138 -5.880 1.00 0.00 H new ATOM 736 N VAL A 49 -8.574 8.731 -6.474 1.00 0.00 N ATOM 737 CA VAL A 49 -7.383 8.181 -7.112 1.00 0.00 C ATOM 738 C VAL A 49 -7.746 6.960 -7.974 1.00 0.00 C ATOM 739 O VAL A 49 -7.215 6.781 -9.076 1.00 0.00 O ATOM 740 CB VAL A 49 -6.231 7.862 -6.087 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.619 6.790 -5.084 1.00 0.00 C ATOM 742 CG2 VAL A 49 -4.935 7.498 -6.796 1.00 0.00 C ATOM 0 H VAL A 49 -8.672 8.505 -5.484 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.983 8.953 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.064 8.780 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.787 6.611 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.489 7.121 -4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.860 5.868 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.163 7.284 -6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.095 6.617 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.617 8.331 -7.422 1.00 0.00 H new ATOM 752 N ASN A 50 -8.677 6.163 -7.497 1.00 0.00 N ATOM 753 CA ASN A 50 -9.166 5.027 -8.241 1.00 0.00 C ATOM 754 C ASN A 50 -10.530 5.361 -8.777 1.00 0.00 C ATOM 755 O ASN A 50 -11.545 5.211 -8.089 1.00 0.00 O ATOM 756 CB ASN A 50 -9.204 3.734 -7.397 1.00 0.00 C ATOM 757 CG ASN A 50 -7.823 3.243 -6.991 1.00 0.00 C ATOM 758 OD1 ASN A 50 -6.837 3.462 -7.695 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.741 2.568 -5.867 1.00 0.00 N ATOM 0 H ASN A 50 -9.115 6.285 -6.584 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.476 4.827 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.798 3.910 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.708 2.952 -7.965 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.840 2.207 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.578 2.405 -5.308 1.00 0.00 H new ATOM 766 N GLY A 51 -10.548 5.878 -9.976 1.00 0.00 N ATOM 767 CA GLY A 51 -11.776 6.321 -10.582 1.00 0.00 C ATOM 768 C GLY A 51 -12.565 5.187 -11.180 1.00 0.00 C ATOM 769 O GLY A 51 -11.989 4.226 -11.726 1.00 0.00 O ATOM 0 H GLY A 51 -9.719 6.004 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.385 6.828 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.551 7.052 -11.358 1.00 0.00 H new ATOM 773 N GLY A 52 -13.864 5.268 -11.071 1.00 0.00 N ATOM 774 CA GLY A 52 -14.730 4.259 -11.615 1.00 0.00 C ATOM 775 C GLY A 52 -15.032 3.194 -10.602 1.00 0.00 C ATOM 776 O GLY A 52 -16.172 3.021 -10.190 1.00 0.00 O ATOM 0 H GLY A 52 -14.350 6.033 -10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.660 4.718 -11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.262 3.809 -12.490 1.00 0.00 H new ATOM 780 N ASN A 53 -14.016 2.501 -10.177 1.00 0.00 N ATOM 781 CA ASN A 53 -14.170 1.439 -9.205 1.00 0.00 C ATOM 782 C ASN A 53 -13.238 1.701 -8.064 1.00 0.00 C ATOM 783 O ASN A 53 -12.151 2.254 -8.266 1.00 0.00 O ATOM 784 CB ASN A 53 -13.860 0.057 -9.823 1.00 0.00 C ATOM 785 CG ASN A 53 -12.385 -0.149 -10.150 1.00 0.00 C ATOM 786 OD1 ASN A 53 -11.617 -0.668 -9.336 1.00 0.00 O ATOM 787 ND2 ASN A 53 -11.980 0.238 -11.326 1.00 0.00 N ATOM 0 H ASN A 53 -13.056 2.650 -10.489 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.204 1.423 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.182 -0.721 -9.131 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.446 -0.064 -10.734 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.004 0.115 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.639 0.664 -11.978 1.00 0.00 H new ATOM 794 N ARG A 54 -13.639 1.349 -6.881 1.00 0.00 N ATOM 795 CA ARG A 54 -12.776 1.511 -5.759 1.00 0.00 C ATOM 796 C ARG A 54 -11.930 0.263 -5.621 1.00 0.00 C ATOM 797 O ARG A 54 -12.351 -0.721 -4.998 1.00 0.00 O ATOM 798 CB ARG A 54 -13.547 1.788 -4.458 1.00 0.00 C ATOM 799 CG ARG A 54 -12.631 2.033 -3.263 1.00 0.00 C ATOM 800 CD ARG A 54 -13.404 2.169 -1.962 1.00 0.00 C ATOM 801 NE ARG A 54 -14.197 0.968 -1.668 1.00 0.00 N ATOM 802 CZ ARG A 54 -13.915 0.045 -0.730 1.00 0.00 C ATOM 803 NH1 ARG A 54 -12.775 0.097 -0.037 1.00 0.00 N ATOM 804 NH2 ARG A 54 -14.765 -0.944 -0.512 1.00 0.00 N ATOM 0 H ARG A 54 -14.554 0.950 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.145 2.383 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.189 2.657 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.199 0.942 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.922 1.210 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.049 2.939 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.708 2.354 -1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.064 3.034 -2.021 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.038 0.820 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.103 0.844 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.576 -0.610 0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.628 -1.004 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.558 -1.647 0.197 1.00 0.00 H new ATOM 818 N THR A 55 -10.801 0.270 -6.287 1.00 0.00 N ATOM 819 CA THR A 55 -9.851 -0.806 -6.209 1.00 0.00 C ATOM 820 C THR A 55 -9.317 -0.831 -4.777 1.00 0.00 C ATOM 821 O THR A 55 -9.012 0.243 -4.227 1.00 0.00 O ATOM 822 CB THR A 55 -8.694 -0.520 -7.179 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.233 0.093 -8.377 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.010 -1.818 -7.568 1.00 0.00 C ATOM 0 H THR A 55 -10.516 1.031 -6.903 1.00 0.00 H new ATOM 0 HA THR A 55 -10.309 -1.760 -6.470 1.00 0.00 H new ATOM 0 HB THR A 55 -7.974 0.141 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.951 -0.468 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.191 -1.606 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.617 -2.304 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.730 -2.477 -8.053 1.00 0.00 H new ATOM 832 N VAL A 56 -9.247 -2.001 -4.144 1.00 0.00 N ATOM 833 CA VAL A 56 -8.814 -2.006 -2.765 1.00 0.00 C ATOM 834 C VAL A 56 -7.365 -1.845 -2.592 1.00 0.00 C ATOM 835 O VAL A 56 -6.966 -0.785 -2.126 1.00 0.00 O ATOM 836 CB VAL A 56 -9.242 -3.184 -1.878 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.819 -2.901 -0.429 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.687 -3.356 -1.920 1.00 0.00 C ATOM 0 H VAL A 56 -9.474 -2.911 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.362 -1.130 -2.419 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.764 -4.092 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.120 -3.734 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.737 -2.782 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.300 -1.987 -0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.972 -4.195 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.172 -2.448 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.000 -3.553 -2.945 1.00 0.00 H new ATOM 848 N PRO A 57 -6.492 -2.854 -2.969 1.00 0.00 N ATOM 849 CA PRO A 57 -5.178 -2.832 -2.486 1.00 0.00 C ATOM 850 C PRO A 57 -4.304 -1.766 -3.171 1.00 0.00 C ATOM 851 O PRO A 57 -3.585 -2.017 -4.157 1.00 0.00 O ATOM 852 CB PRO A 57 -4.649 -4.233 -2.664 1.00 0.00 C ATOM 853 CG PRO A 57 -5.348 -4.722 -3.886 1.00 0.00 C ATOM 854 CD PRO A 57 -6.678 -3.986 -3.937 1.00 0.00 C ATOM 0 HA PRO A 57 -5.155 -2.540 -1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.567 -4.239 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.871 -4.858 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.757 -4.520 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.501 -5.800 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.897 -3.623 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.505 -4.632 -3.644 1.00 0.00 H new ATOM 862 N THR A 58 -4.443 -0.611 -2.675 1.00 0.00 N ATOM 863 CA THR A 58 -3.831 0.542 -3.148 1.00 0.00 C ATOM 864 C THR A 58 -2.895 1.013 -2.053 1.00 0.00 C ATOM 865 O THR A 58 -3.305 1.141 -0.899 1.00 0.00 O ATOM 866 CB THR A 58 -4.960 1.568 -3.407 1.00 0.00 C ATOM 867 OG1 THR A 58 -5.925 0.975 -4.297 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.446 2.848 -4.029 1.00 0.00 C ATOM 0 H THR A 58 -5.036 -0.437 -1.863 1.00 0.00 H new ATOM 0 HA THR A 58 -3.264 0.395 -4.067 1.00 0.00 H new ATOM 0 HB THR A 58 -5.406 1.823 -2.446 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.481 0.339 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.278 3.534 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.719 3.310 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.971 2.623 -4.984 1.00 0.00 H new ATOM 876 N VAL A 59 -1.656 1.192 -2.377 1.00 0.00 N ATOM 877 CA VAL A 59 -0.692 1.582 -1.393 1.00 0.00 C ATOM 878 C VAL A 59 -0.076 2.939 -1.731 1.00 0.00 C ATOM 879 O VAL A 59 0.205 3.236 -2.891 1.00 0.00 O ATOM 880 CB VAL A 59 0.407 0.487 -1.213 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.116 0.199 -2.508 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.394 0.864 -0.130 1.00 0.00 C ATOM 0 H VAL A 59 -1.283 1.074 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.212 1.685 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.099 -0.426 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.874 -0.567 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.396 -0.154 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.593 1.109 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.144 0.079 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.882 1.802 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.867 0.982 0.817 1.00 0.00 H new ATOM 892 N LYS A 60 0.063 3.755 -0.731 1.00 0.00 N ATOM 893 CA LYS A 60 0.691 5.039 -0.837 1.00 0.00 C ATOM 894 C LYS A 60 2.001 4.993 -0.072 1.00 0.00 C ATOM 895 O LYS A 60 2.015 4.702 1.127 1.00 0.00 O ATOM 896 CB LYS A 60 -0.232 6.122 -0.254 1.00 0.00 C ATOM 897 CG LYS A 60 0.343 7.524 -0.240 1.00 0.00 C ATOM 898 CD LYS A 60 -0.675 8.502 0.317 1.00 0.00 C ATOM 899 CE LYS A 60 -0.138 9.916 0.358 1.00 0.00 C ATOM 900 NZ LYS A 60 1.026 10.068 1.279 1.00 0.00 N ATOM 0 H LYS A 60 -0.267 3.540 0.210 1.00 0.00 H new ATOM 0 HA LYS A 60 0.882 5.281 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.159 6.133 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.492 5.843 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.249 7.547 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.627 7.819 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.577 8.474 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.962 8.194 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.159 10.216 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.933 10.593 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.255 11.077 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.788 9.668 2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.847 9.566 0.886 1.00 0.00 H new ATOM 914 N PHE A 61 3.087 5.220 -0.759 1.00 0.00 N ATOM 915 CA PHE A 61 4.387 5.237 -0.117 1.00 0.00 C ATOM 916 C PHE A 61 4.754 6.653 0.238 1.00 0.00 C ATOM 917 O PHE A 61 4.121 7.606 -0.251 1.00 0.00 O ATOM 918 CB PHE A 61 5.485 4.640 -1.024 1.00 0.00 C ATOM 919 CG PHE A 61 5.376 3.163 -1.255 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.594 2.659 -2.286 1.00 0.00 C ATOM 921 CD2 PHE A 61 6.064 2.273 -0.440 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.497 1.299 -2.496 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.966 0.916 -0.650 1.00 0.00 C ATOM 924 CZ PHE A 61 5.179 0.429 -1.677 1.00 0.00 C ATOM 0 H PHE A 61 3.105 5.397 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 61 4.321 4.623 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.455 5.147 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.458 4.853 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.056 3.339 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.680 2.648 0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.887 0.918 -3.302 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.505 0.231 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.099 -0.636 -1.837 1.00 0.00 H new ATOM 934 N ALA A 62 5.804 6.798 1.038 1.00 0.00 N ATOM 935 CA ALA A 62 6.340 8.107 1.436 1.00 0.00 C ATOM 936 C ALA A 62 6.869 8.887 0.222 1.00 0.00 C ATOM 937 O ALA A 62 7.155 10.068 0.308 1.00 0.00 O ATOM 938 CB ALA A 62 7.440 7.932 2.475 1.00 0.00 C ATOM 0 H ALA A 62 6.315 6.009 1.435 1.00 0.00 H new ATOM 0 HA ALA A 62 5.527 8.685 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.829 8.909 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.034 7.431 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.246 7.330 2.054 1.00 0.00 H new ATOM 944 N ASP A 63 6.973 8.202 -0.908 1.00 0.00 N ATOM 945 CA ASP A 63 7.405 8.806 -2.170 1.00 0.00 C ATOM 946 C ASP A 63 6.282 9.686 -2.739 1.00 0.00 C ATOM 947 O ASP A 63 6.502 10.550 -3.587 1.00 0.00 O ATOM 948 CB ASP A 63 7.764 7.693 -3.168 1.00 0.00 C ATOM 949 CG ASP A 63 8.224 8.199 -4.515 1.00 0.00 C ATOM 950 OD1 ASP A 63 9.345 8.717 -4.614 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.479 8.040 -5.505 1.00 0.00 O ATOM 0 H ASP A 63 6.760 7.207 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 63 8.282 9.429 -1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.550 7.073 -2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.894 7.052 -3.310 1.00 0.00 H new ATOM 956 N GLY A 64 5.072 9.457 -2.252 1.00 0.00 N ATOM 957 CA GLY A 64 3.918 10.225 -2.675 1.00 0.00 C ATOM 958 C GLY A 64 3.155 9.545 -3.772 1.00 0.00 C ATOM 959 O GLY A 64 2.002 9.892 -4.068 1.00 0.00 O ATOM 0 H GLY A 64 4.866 8.739 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.259 10.386 -1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.243 11.208 -3.016 1.00 0.00 H new ATOM 963 N SER A 65 3.781 8.583 -4.365 1.00 0.00 N ATOM 964 CA SER A 65 3.190 7.840 -5.421 1.00 0.00 C ATOM 965 C SER A 65 2.316 6.740 -4.843 1.00 0.00 C ATOM 966 O SER A 65 2.560 6.253 -3.716 1.00 0.00 O ATOM 967 CB SER A 65 4.293 7.250 -6.280 1.00 0.00 C ATOM 968 OG SER A 65 5.208 8.272 -6.664 1.00 0.00 O ATOM 0 H SER A 65 4.728 8.290 -4.125 1.00 0.00 H new ATOM 0 HA SER A 65 2.565 8.489 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.817 6.469 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.865 6.782 -7.166 1.00 0.00 H new ATOM 0 HG SER A 65 5.881 8.390 -5.961 1.00 0.00 H new ATOM 974 N THR A 66 1.320 6.371 -5.573 1.00 0.00 N ATOM 975 CA THR A 66 0.446 5.329 -5.185 1.00 0.00 C ATOM 976 C THR A 66 0.612 4.172 -6.140 1.00 0.00 C ATOM 977 O THR A 66 0.775 4.366 -7.359 1.00 0.00 O ATOM 978 CB THR A 66 -1.013 5.827 -5.171 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.209 6.760 -6.257 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.356 6.495 -3.846 1.00 0.00 C ATOM 0 H THR A 66 1.090 6.795 -6.472 1.00 0.00 H new ATOM 0 HA THR A 66 0.692 4.999 -4.175 1.00 0.00 H new ATOM 0 HB THR A 66 -1.673 4.969 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.000 7.310 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.391 6.835 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.226 5.780 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.697 7.348 -3.687 1.00 0.00 H new ATOM 988 N LEU A 67 0.607 2.998 -5.607 1.00 0.00 N ATOM 989 CA LEU A 67 0.800 1.815 -6.378 1.00 0.00 C ATOM 990 C LEU A 67 -0.431 0.934 -6.168 1.00 0.00 C ATOM 991 O LEU A 67 -0.768 0.589 -5.036 1.00 0.00 O ATOM 992 CB LEU A 67 2.101 1.132 -5.915 1.00 0.00 C ATOM 993 CG LEU A 67 2.730 0.085 -6.839 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.175 0.711 -8.151 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.916 -0.574 -6.156 1.00 0.00 C ATOM 0 H LEU A 67 0.467 2.829 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 67 0.905 2.021 -7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.843 1.911 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.905 0.655 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 67 1.974 -0.670 -7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.618 -0.055 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.314 1.149 -8.656 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.913 1.488 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.354 -1.316 -6.823 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.663 0.182 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.583 -1.062 -5.240 1.00 0.00 H new ATOM 1007 N THR A 68 -1.126 0.635 -7.224 1.00 0.00 N ATOM 1008 CA THR A 68 -2.371 -0.093 -7.124 1.00 0.00 C ATOM 1009 C THR A 68 -2.197 -1.515 -7.637 1.00 0.00 C ATOM 1010 O THR A 68 -1.731 -1.708 -8.754 1.00 0.00 O ATOM 1011 CB THR A 68 -3.444 0.625 -7.951 1.00 0.00 C ATOM 1012 OG1 THR A 68 -3.359 2.032 -7.674 1.00 0.00 O ATOM 1013 CG2 THR A 68 -4.834 0.131 -7.579 1.00 0.00 C ATOM 0 H THR A 68 -0.855 0.883 -8.176 1.00 0.00 H new ATOM 0 HA THR A 68 -2.676 -0.134 -6.078 1.00 0.00 H new ATOM 0 HB THR A 68 -3.276 0.423 -9.009 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.037 2.510 -8.196 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.579 0.655 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.903 -0.940 -7.769 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.018 0.324 -6.522 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.567 -2.486 -6.810 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.454 -3.927 -7.135 1.00 0.00 C ATOM 1023 C ASN A 69 -1.022 -4.322 -7.560 1.00 0.00 C ATOM 1024 O ASN A 69 -0.811 -4.762 -8.695 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.475 -4.367 -8.233 1.00 0.00 C ATOM 1026 CG ASN A 69 -4.938 -4.309 -7.804 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.321 -3.531 -6.946 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.773 -5.117 -8.428 1.00 0.00 N ATOM 0 H ASN A 69 -2.958 -2.308 -5.885 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.694 -4.456 -6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.342 -3.732 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.241 -5.386 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.766 -5.101 -8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.425 -5.758 -9.142 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.006 -4.131 -6.687 1.00 0.00 N ATOM 1036 CA PRO A 70 1.364 -4.498 -7.011 1.00 0.00 C ATOM 1037 C PRO A 70 1.716 -5.933 -6.610 1.00 0.00 C ATOM 1038 O PRO A 70 0.892 -6.675 -6.052 1.00 0.00 O ATOM 1039 CB PRO A 70 2.164 -3.536 -6.158 1.00 0.00 C ATOM 1040 CG PRO A 70 1.347 -3.370 -4.921 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.090 -3.505 -5.347 1.00 0.00 C ATOM 0 HA PRO A 70 1.552 -4.447 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.153 -3.934 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.313 -2.584 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.606 -4.125 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.528 -2.398 -4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.657 -4.124 -4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.587 -2.536 -5.389 1.00 0.00 H new ATOM 1049 N SER A 71 2.927 -6.305 -6.915 1.00 0.00 N ATOM 1050 CA SER A 71 3.486 -7.570 -6.533 1.00 0.00 C ATOM 1051 C SER A 71 4.297 -7.333 -5.247 1.00 0.00 C ATOM 1052 O SER A 71 4.629 -6.174 -4.936 1.00 0.00 O ATOM 1053 CB SER A 71 4.414 -8.043 -7.655 1.00 0.00 C ATOM 1054 OG SER A 71 3.835 -7.780 -8.938 1.00 0.00 O ATOM 0 H SER A 71 3.569 -5.721 -7.450 1.00 0.00 H new ATOM 0 HA SER A 71 2.716 -8.323 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.376 -7.537 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.605 -9.111 -7.549 1.00 0.00 H new ATOM 0 HG SER A 71 3.955 -6.834 -9.163 1.00 0.00 H new ATOM 1060 N ALA A 72 4.647 -8.391 -4.530 1.00 0.00 N ATOM 1061 CA ALA A 72 5.384 -8.256 -3.273 1.00 0.00 C ATOM 1062 C ALA A 72 6.767 -7.641 -3.511 1.00 0.00 C ATOM 1063 O ALA A 72 7.222 -6.779 -2.745 1.00 0.00 O ATOM 1064 CB ALA A 72 5.508 -9.609 -2.583 1.00 0.00 C ATOM 0 H ALA A 72 4.435 -9.353 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 72 4.826 -7.584 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.059 -9.492 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.514 -10.002 -2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.041 -10.302 -3.234 1.00 0.00 H new ATOM 1070 N ASP A 73 7.399 -8.053 -4.604 1.00 0.00 N ATOM 1071 CA ASP A 73 8.734 -7.566 -4.969 1.00 0.00 C ATOM 1072 C ASP A 73 8.720 -6.070 -5.275 1.00 0.00 C ATOM 1073 O ASP A 73 9.679 -5.360 -4.963 1.00 0.00 O ATOM 1074 CB ASP A 73 9.337 -8.349 -6.161 1.00 0.00 C ATOM 1075 CG ASP A 73 8.649 -8.107 -7.503 1.00 0.00 C ATOM 1076 OD1 ASP A 73 9.008 -7.130 -8.201 1.00 0.00 O ATOM 1077 OD2 ASP A 73 7.770 -8.922 -7.899 1.00 0.00 O ATOM 0 H ASP A 73 7.009 -8.729 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 73 9.371 -7.737 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.390 -8.084 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.296 -9.415 -5.935 1.00 0.00 H new ATOM 1082 N GLU A 74 7.613 -5.586 -5.835 1.00 0.00 N ATOM 1083 CA GLU A 74 7.483 -4.182 -6.190 1.00 0.00 C ATOM 1084 C GLU A 74 7.427 -3.327 -4.943 1.00 0.00 C ATOM 1085 O GLU A 74 8.022 -2.256 -4.883 1.00 0.00 O ATOM 1086 CB GLU A 74 6.250 -3.946 -7.062 1.00 0.00 C ATOM 1087 CG GLU A 74 6.283 -4.696 -8.382 1.00 0.00 C ATOM 1088 CD GLU A 74 5.066 -4.449 -9.223 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.043 -5.114 -9.009 1.00 0.00 O ATOM 1090 OE2 GLU A 74 5.116 -3.596 -10.127 1.00 0.00 O ATOM 0 H GLU A 74 6.792 -6.152 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 74 8.361 -3.896 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.361 -4.245 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.157 -2.879 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.171 -4.400 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.372 -5.764 -8.185 1.00 0.00 H new ATOM 1097 N VAL A 75 6.736 -3.826 -3.940 1.00 0.00 N ATOM 1098 CA VAL A 75 6.621 -3.136 -2.673 1.00 0.00 C ATOM 1099 C VAL A 75 7.982 -3.080 -1.987 1.00 0.00 C ATOM 1100 O VAL A 75 8.402 -2.030 -1.510 1.00 0.00 O ATOM 1101 CB VAL A 75 5.580 -3.814 -1.751 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.499 -3.120 -0.394 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.216 -3.819 -2.421 1.00 0.00 C ATOM 0 H VAL A 75 6.241 -4.717 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 75 6.276 -2.121 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 75 5.901 -4.842 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.758 -3.622 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.472 -3.162 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.209 -2.079 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.490 -4.298 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.904 -2.794 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.274 -4.369 -3.360 1.00 0.00 H new ATOM 1113 N LYS A 76 8.680 -4.205 -1.991 1.00 0.00 N ATOM 1114 CA LYS A 76 10.007 -4.303 -1.402 1.00 0.00 C ATOM 1115 C LYS A 76 11.002 -3.338 -2.084 1.00 0.00 C ATOM 1116 O LYS A 76 11.768 -2.645 -1.407 1.00 0.00 O ATOM 1117 CB LYS A 76 10.503 -5.761 -1.457 1.00 0.00 C ATOM 1118 CG LYS A 76 11.925 -5.969 -0.952 1.00 0.00 C ATOM 1119 CD LYS A 76 12.330 -7.431 -1.010 1.00 0.00 C ATOM 1120 CE LYS A 76 13.751 -7.631 -0.501 1.00 0.00 C ATOM 1121 NZ LYS A 76 14.166 -9.046 -0.554 1.00 0.00 N ATOM 0 H LYS A 76 8.343 -5.075 -2.402 1.00 0.00 H new ATOM 0 HA LYS A 76 9.943 -4.002 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.828 -6.382 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.443 -6.112 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.615 -5.376 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.004 -5.609 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.640 -8.026 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.255 -7.791 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.437 -7.030 -1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.822 -7.271 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.139 -9.136 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.528 -9.617 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.124 -9.384 -1.537 1.00 0.00 H new ATOM 1135 N ALA A 77 10.955 -3.270 -3.408 1.00 0.00 N ATOM 1136 CA ALA A 77 11.833 -2.379 -4.167 1.00 0.00 C ATOM 1137 C ALA A 77 11.517 -0.905 -3.878 1.00 0.00 C ATOM 1138 O ALA A 77 12.422 -0.068 -3.808 1.00 0.00 O ATOM 1139 CB ALA A 77 11.741 -2.677 -5.652 1.00 0.00 C ATOM 0 H ALA A 77 10.318 -3.821 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 77 12.858 -2.562 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.401 -2.004 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.041 -3.709 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.715 -2.532 -5.989 1.00 0.00 H new ATOM 1145 N LYS A 78 10.248 -0.587 -3.702 1.00 0.00 N ATOM 1146 CA LYS A 78 9.861 0.767 -3.333 1.00 0.00 C ATOM 1147 C LYS A 78 10.261 1.075 -1.896 1.00 0.00 C ATOM 1148 O LYS A 78 10.703 2.183 -1.592 1.00 0.00 O ATOM 1149 CB LYS A 78 8.357 1.026 -3.539 1.00 0.00 C ATOM 1150 CG LYS A 78 7.954 1.555 -4.924 1.00 0.00 C ATOM 1151 CD LYS A 78 8.274 0.600 -6.068 1.00 0.00 C ATOM 1152 CE LYS A 78 7.838 1.201 -7.396 1.00 0.00 C ATOM 1153 NZ LYS A 78 8.190 0.353 -8.561 1.00 0.00 N ATOM 0 H LYS A 78 9.471 -1.240 -3.807 1.00 0.00 H new ATOM 0 HA LYS A 78 10.399 1.439 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.819 0.096 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.024 1.741 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.884 1.762 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.462 2.503 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.344 0.392 -6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.768 -0.352 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.759 1.358 -7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.301 2.181 -7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.868 0.814 -9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.221 0.224 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.728 -0.574 -8.468 1.00 0.00 H new ATOM 1167 N LEU A 79 10.145 0.084 -1.036 1.00 0.00 N ATOM 1168 CA LEU A 79 10.457 0.236 0.377 1.00 0.00 C ATOM 1169 C LEU A 79 11.933 0.597 0.562 1.00 0.00 C ATOM 1170 O LEU A 79 12.271 1.537 1.283 1.00 0.00 O ATOM 1171 CB LEU A 79 10.144 -1.061 1.150 1.00 0.00 C ATOM 1172 CG LEU A 79 10.208 -1.000 2.686 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.139 -0.084 3.276 1.00 0.00 C ATOM 1174 CD2 LEU A 79 10.113 -2.388 3.287 1.00 0.00 C ATOM 0 H LEU A 79 9.832 -0.852 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 79 9.837 1.041 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.144 -1.389 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.839 -1.830 0.814 1.00 0.00 H new ATOM 0 HG LEU A 79 11.176 -0.572 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.227 -0.075 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.275 0.927 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.151 -0.449 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.161 -2.318 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.169 -2.848 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.941 -2.998 2.926 1.00 0.00 H new ATOM 1186 N VAL A 80 12.793 -0.127 -0.121 1.00 0.00 N ATOM 1187 CA VAL A 80 14.226 0.079 0.000 1.00 0.00 C ATOM 1188 C VAL A 80 14.676 1.448 -0.538 1.00 0.00 C ATOM 1189 O VAL A 80 15.609 2.056 0.008 1.00 0.00 O ATOM 1190 CB VAL A 80 15.052 -1.078 -0.628 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.787 -2.386 0.090 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.775 -1.218 -2.101 1.00 0.00 C ATOM 0 H VAL A 80 12.526 -0.868 -0.770 1.00 0.00 H new ATOM 0 HA VAL A 80 14.434 0.074 1.070 1.00 0.00 H new ATOM 0 HB VAL A 80 16.106 -0.827 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.377 -3.179 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.065 -2.288 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.728 -2.633 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.370 -2.036 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.716 -1.428 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.038 -0.291 -2.610 1.00 0.00 H new ATOM 1202 N LYS A 81 13.993 1.956 -1.573 1.00 0.00 N ATOM 1203 CA LYS A 81 14.364 3.251 -2.130 1.00 0.00 C ATOM 1204 C LYS A 81 13.876 4.392 -1.265 1.00 0.00 C ATOM 1205 O LYS A 81 14.611 5.341 -1.031 1.00 0.00 O ATOM 1206 CB LYS A 81 13.913 3.462 -3.598 1.00 0.00 C ATOM 1207 CG LYS A 81 12.420 3.348 -3.825 1.00 0.00 C ATOM 1208 CD LYS A 81 11.973 3.917 -5.167 1.00 0.00 C ATOM 1209 CE LYS A 81 12.088 5.439 -5.199 1.00 0.00 C ATOM 1210 NZ LYS A 81 11.580 6.000 -6.461 1.00 0.00 N ATOM 0 H LYS A 81 13.202 1.500 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 81 15.454 3.248 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.242 4.448 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.419 2.730 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.129 2.299 -3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.896 3.869 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.580 3.489 -5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.941 3.625 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.532 5.863 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.131 5.727 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.675 7.035 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.127 5.615 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.578 5.747 -6.575 1.00 0.00 H new ATOM 1224 N ILE A 82 12.658 4.288 -0.746 1.00 0.00 N ATOM 1225 CA ILE A 82 12.099 5.373 0.048 1.00 0.00 C ATOM 1226 C ILE A 82 12.723 5.448 1.433 1.00 0.00 C ATOM 1227 O ILE A 82 12.571 6.441 2.146 1.00 0.00 O ATOM 1228 CB ILE A 82 10.523 5.392 0.083 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.883 4.102 0.651 1.00 0.00 C ATOM 1230 CG2 ILE A 82 9.978 5.653 -1.304 1.00 0.00 C ATOM 1231 CD1 ILE A 82 10.025 3.901 2.136 1.00 0.00 C ATOM 0 H ILE A 82 12.048 3.478 -0.858 1.00 0.00 H new ATOM 0 HA ILE A 82 12.375 6.290 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 82 10.253 6.197 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.821 4.106 0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.326 3.245 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.889 5.664 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.340 6.617 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.312 4.866 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.541 2.968 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.082 3.858 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.555 4.732 2.662 1.00 0.00 H new ATOM 1243 N ALA A 83 13.420 4.396 1.808 1.00 0.00 N ATOM 1244 CA ALA A 83 14.132 4.371 3.061 1.00 0.00 C ATOM 1245 C ALA A 83 15.388 5.231 2.955 1.00 0.00 C ATOM 1246 O ALA A 83 15.862 5.771 3.951 1.00 0.00 O ATOM 1247 CB ALA A 83 14.496 2.941 3.439 1.00 0.00 C ATOM 0 H ALA A 83 13.507 3.543 1.256 1.00 0.00 H new ATOM 0 HA ALA A 83 13.489 4.776 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.033 2.941 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.587 2.348 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.129 2.510 2.664 1.00 0.00 H new