USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 Single : A 11 THR OG1 : rot -38:sc= 0.624 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.626 F(o=-1.8,f=-0.63) USER MOD Single : A 14 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 18 GLN : amide:sc= 0.133 X(o=0.13,f=-0.31) USER MOD Single : A 20 ASN : amide:sc= -0.525 X(o=-0.52,f=-0.16) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.06) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 2.26 (180deg=0.934) USER MOD Single : A 29 SER OG : rot 108:sc= 1.23 USER MOD Single : A 43 THR OG1 : rot 31:sc= -0.102 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 1.99 (180deg=1.92) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0993) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00713 USER MOD Single : A 64 SER OG : rot 174:sc= 0.0116 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 167:sc= -1.2 (180deg=-1.73) USER MOD Single : A 81 ASN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 86 CYS SG : rot -147:sc= -0.218 USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.0269 (180deg=-0.195) USER MOD Single : A 88 MET CE :methyl -159:sc= 0 (180deg=-0.408) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= -0.757 (180deg=-1.99!) USER MOD Single : A 93 MET CE :methyl 164:sc= -1.33 (180deg=-2.12) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.240 1.344 -7.392 1.00 0.00 N ATOM 94 CA GLU A 9 4.862 0.986 -7.518 1.00 0.00 C ATOM 95 C GLU A 9 4.770 -0.498 -7.825 1.00 0.00 C ATOM 96 O GLU A 9 3.738 -1.122 -7.625 1.00 0.00 O ATOM 97 CB GLU A 9 4.133 1.833 -8.575 1.00 0.00 C ATOM 98 CG GLU A 9 2.609 1.838 -8.394 1.00 0.00 C ATOM 99 CD GLU A 9 1.833 2.264 -9.626 1.00 0.00 C ATOM 100 OE1 GLU A 9 1.844 3.467 -9.983 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.203 1.386 -10.276 1.00 0.00 O ATOM 0 HA GLU A 9 4.356 1.194 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.502 2.858 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.374 1.452 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.286 0.838 -8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.355 2.506 -7.571 1.00 0.00 H new ATOM 108 N TRP A 10 5.890 -1.056 -8.274 1.00 0.00 N ATOM 109 CA TRP A 10 5.994 -2.455 -8.589 1.00 0.00 C ATOM 110 C TRP A 10 5.861 -3.314 -7.340 1.00 0.00 C ATOM 111 O TRP A 10 5.025 -4.182 -7.301 1.00 0.00 O ATOM 112 CB TRP A 10 7.300 -2.766 -9.329 1.00 0.00 C ATOM 113 CG TRP A 10 7.532 -4.233 -9.580 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.072 -4.972 -10.617 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.276 -5.130 -8.758 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.490 -6.267 -10.500 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.226 -6.391 -9.363 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.973 -4.981 -7.571 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.852 -7.499 -8.815 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.587 -6.070 -7.027 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.528 -7.314 -7.644 1.00 0.00 C ATOM 0 H TRP A 10 6.753 -0.534 -8.427 1.00 0.00 H new ATOM 0 HA TRP A 10 5.167 -2.701 -9.255 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.297 -2.241 -10.284 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.135 -2.371 -8.751 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.461 -4.592 -11.422 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.284 -7.019 -11.158 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.029 -4.019 -7.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.807 -8.466 -9.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.129 -5.964 -6.099 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.029 -8.154 -7.186 1.00 0.00 H new ATOM 132 N THR A 11 6.672 -3.075 -6.325 1.00 0.00 N ATOM 133 CA THR A 11 6.600 -3.875 -5.113 1.00 0.00 C ATOM 134 C THR A 11 5.233 -3.742 -4.494 1.00 0.00 C ATOM 135 O THR A 11 4.607 -4.734 -4.138 1.00 0.00 O ATOM 136 CB THR A 11 7.678 -3.466 -4.099 1.00 0.00 C ATOM 137 OG1 THR A 11 8.972 -3.579 -4.699 1.00 0.00 O ATOM 138 CG2 THR A 11 7.622 -4.334 -2.847 1.00 0.00 C ATOM 0 H THR A 11 7.381 -2.342 -6.314 1.00 0.00 H new ATOM 0 HA THR A 11 6.779 -4.915 -5.386 1.00 0.00 H new ATOM 0 HB THR A 11 7.491 -2.433 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.995 -4.368 -5.280 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.398 -4.018 -2.150 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.645 -4.229 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.782 -5.377 -3.120 1.00 0.00 H new ATOM 146 N LEU A 12 4.750 -2.513 -4.446 1.00 0.00 N ATOM 147 CA LEU A 12 3.448 -2.230 -3.910 1.00 0.00 C ATOM 148 C LEU A 12 2.376 -3.045 -4.655 1.00 0.00 C ATOM 149 O LEU A 12 1.586 -3.762 -4.040 1.00 0.00 O ATOM 150 CB LEU A 12 3.127 -0.756 -4.064 1.00 0.00 C ATOM 151 CG LEU A 12 3.984 0.237 -3.288 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.512 1.655 -3.569 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.947 -0.058 -1.794 1.00 0.00 C ATOM 0 H LEU A 12 5.255 -1.691 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 12 3.450 -2.500 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.198 -0.506 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.088 -0.606 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 12 5.018 0.136 -3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.128 2.361 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.597 1.862 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.472 1.760 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.567 0.666 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.920 0.012 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.327 -1.063 -1.612 1.00 0.00 H new ATOM 165 N GLN A 13 2.404 -2.968 -5.991 1.00 0.00 N ATOM 166 CA GLN A 13 1.420 -3.646 -6.823 1.00 0.00 C ATOM 167 C GLN A 13 1.553 -5.156 -6.698 1.00 0.00 C ATOM 168 O GLN A 13 0.579 -5.825 -6.540 1.00 0.00 O ATOM 169 CB GLN A 13 1.495 -3.191 -8.312 1.00 0.00 C ATOM 170 CG GLN A 13 2.678 -3.714 -9.112 1.00 0.00 C ATOM 171 CD GLN A 13 2.865 -3.036 -10.462 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.579 -1.756 -10.545 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.335 -3.653 -11.412 1.00 0.00 N flip ATOM 0 H GLN A 13 3.102 -2.440 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 13 0.434 -3.360 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.578 -3.502 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.518 -2.102 -8.337 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.586 -3.584 -8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.551 -4.785 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.548 -4.646 -11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.513 -3.173 -12.294 1.00 0.00 H new ATOM 182 N THR A 14 2.779 -5.653 -6.680 1.00 0.00 N ATOM 183 CA THR A 14 3.048 -7.078 -6.622 1.00 0.00 C ATOM 184 C THR A 14 2.494 -7.687 -5.316 1.00 0.00 C ATOM 185 O THR A 14 1.990 -8.806 -5.310 1.00 0.00 O ATOM 186 CB THR A 14 4.572 -7.336 -6.782 1.00 0.00 C ATOM 187 OG1 THR A 14 5.026 -6.693 -7.991 1.00 0.00 O ATOM 188 CG2 THR A 14 4.892 -8.811 -6.900 1.00 0.00 C ATOM 0 H THR A 14 3.619 -5.075 -6.705 1.00 0.00 H new ATOM 0 HA THR A 14 2.536 -7.573 -7.447 1.00 0.00 H new ATOM 0 HB THR A 14 5.068 -6.941 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.412 -5.819 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.968 -8.942 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.553 -9.330 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.385 -9.225 -7.772 1.00 0.00 H new ATOM 196 N LEU A 15 2.541 -6.919 -4.240 1.00 0.00 N ATOM 197 CA LEU A 15 1.986 -7.351 -2.958 1.00 0.00 C ATOM 198 C LEU A 15 0.458 -7.304 -3.017 1.00 0.00 C ATOM 199 O LEU A 15 -0.236 -8.267 -2.658 1.00 0.00 O ATOM 200 CB LEU A 15 2.457 -6.417 -1.849 1.00 0.00 C ATOM 201 CG LEU A 15 3.969 -6.281 -1.672 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.283 -5.127 -0.746 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.561 -7.552 -1.109 1.00 0.00 C ATOM 0 H LEU A 15 2.959 -5.989 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 15 2.322 -8.368 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.045 -5.426 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.032 -6.764 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 15 4.408 -6.092 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.363 -5.039 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.888 -4.203 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.824 -5.306 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.638 -7.431 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.112 -7.764 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.361 -8.379 -1.790 1.00 0.00 H new ATOM 215 N LEU A 16 -0.055 -6.196 -3.511 1.00 0.00 N ATOM 216 CA LEU A 16 -1.487 -5.957 -3.586 1.00 0.00 C ATOM 217 C LEU A 16 -2.160 -6.827 -4.670 1.00 0.00 C ATOM 218 O LEU A 16 -3.369 -6.991 -4.685 1.00 0.00 O ATOM 219 CB LEU A 16 -1.760 -4.462 -3.808 1.00 0.00 C ATOM 220 CG LEU A 16 -1.266 -3.502 -2.708 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.436 -2.062 -3.140 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.019 -3.734 -1.411 1.00 0.00 C ATOM 0 H LEU A 16 0.511 -5.429 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.931 -6.251 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.299 -4.167 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.835 -4.325 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.207 -3.703 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.081 -1.401 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.860 -1.884 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.490 -1.862 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.653 -3.045 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.083 -3.564 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.862 -4.760 -1.078 1.00 0.00 H new ATOM 234 N GLU A 17 -1.382 -7.356 -5.592 1.00 0.00 N ATOM 235 CA GLU A 17 -1.909 -8.285 -6.582 1.00 0.00 C ATOM 236 C GLU A 17 -2.024 -9.691 -5.987 1.00 0.00 C ATOM 237 O GLU A 17 -2.604 -10.604 -6.596 1.00 0.00 O ATOM 238 CB GLU A 17 -1.083 -8.296 -7.879 1.00 0.00 C ATOM 239 CG GLU A 17 -1.182 -7.000 -8.707 1.00 0.00 C ATOM 240 CD GLU A 17 -0.558 -7.149 -10.074 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.652 -6.947 -10.224 1.00 0.00 O ATOM 242 OE2 GLU A 17 -1.289 -7.491 -11.031 1.00 0.00 O ATOM 0 H GLU A 17 -0.385 -7.162 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.906 -7.937 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.037 -8.474 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.409 -9.133 -8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.230 -6.719 -8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.689 -6.189 -8.171 1.00 0.00 H new ATOM 249 N GLN A 18 -1.464 -9.857 -4.806 1.00 0.00 N ATOM 250 CA GLN A 18 -1.564 -11.095 -4.058 1.00 0.00 C ATOM 251 C GLN A 18 -2.718 -10.963 -3.095 1.00 0.00 C ATOM 252 O GLN A 18 -3.686 -11.711 -3.159 1.00 0.00 O ATOM 253 CB GLN A 18 -0.271 -11.365 -3.288 1.00 0.00 C ATOM 254 CG GLN A 18 0.938 -11.478 -4.176 1.00 0.00 C ATOM 255 CD GLN A 18 2.230 -11.657 -3.419 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.276 -12.264 -2.335 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.271 -11.083 -3.949 1.00 0.00 N ATOM 0 H GLN A 18 -0.923 -9.132 -4.335 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.727 -11.929 -4.741 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -0.111 -10.562 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.382 -12.287 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.803 -12.322 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.010 -10.583 -4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.186 -10.596 -4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.172 -11.120 -3.472 1.00 0.00 H new ATOM 266 N LEU A 19 -2.644 -9.956 -2.252 1.00 0.00 N ATOM 267 CA LEU A 19 -3.674 -9.703 -1.278 1.00 0.00 C ATOM 268 C LEU A 19 -4.694 -8.757 -1.925 1.00 0.00 C ATOM 269 O LEU A 19 -4.357 -7.658 -2.295 1.00 0.00 O ATOM 270 CB LEU A 19 -3.046 -9.063 0.001 1.00 0.00 C ATOM 271 CG LEU A 19 -2.712 -7.562 -0.073 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.777 -6.718 0.597 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.327 -7.227 0.401 1.00 0.00 C ATOM 0 H LEU A 19 -1.869 -9.293 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.166 -10.627 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.733 -9.219 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.130 -9.605 0.239 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.715 -7.306 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.506 -5.665 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.735 -6.881 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.858 -7.000 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.164 -6.152 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.214 -7.533 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.595 -7.752 -0.213 1.00 0.00 H new ATOM 285 N ASN A 20 -5.903 -9.199 -2.136 1.00 0.00 N ATOM 286 CA ASN A 20 -6.908 -8.327 -2.748 1.00 0.00 C ATOM 287 C ASN A 20 -8.308 -8.858 -2.643 1.00 0.00 C ATOM 288 O ASN A 20 -9.138 -8.207 -2.022 1.00 0.00 O ATOM 289 CB ASN A 20 -6.563 -7.924 -4.209 1.00 0.00 C ATOM 290 CG ASN A 20 -6.330 -9.097 -5.126 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.214 -9.528 -5.864 1.00 0.00 O ATOM 292 ND2 ASN A 20 -5.176 -9.674 -5.008 1.00 0.00 N ATOM 0 H ASN A 20 -6.227 -10.138 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.876 -7.416 -2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.375 -7.317 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.671 -7.298 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.972 -10.520 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.471 -9.282 -4.384 1.00 0.00 H new ATOM 299 N GLU A 21 -8.524 -10.080 -3.141 1.00 0.00 N ATOM 300 CA GLU A 21 -9.847 -10.712 -3.289 1.00 0.00 C ATOM 301 C GLU A 21 -10.766 -10.419 -2.097 1.00 0.00 C ATOM 302 O GLU A 21 -11.784 -9.742 -2.243 1.00 0.00 O ATOM 303 CB GLU A 21 -9.656 -12.206 -3.505 1.00 0.00 C ATOM 304 CG GLU A 21 -10.900 -12.966 -3.893 1.00 0.00 C ATOM 305 CD GLU A 21 -10.589 -14.408 -4.184 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.180 -14.719 -5.333 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.721 -15.255 -3.278 1.00 0.00 O ATOM 0 H GLU A 21 -7.763 -10.678 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.348 -10.285 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.905 -12.351 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.256 -12.640 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.632 -12.905 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.352 -12.505 -4.771 1.00 0.00 H new ATOM 314 N ASP A 22 -10.399 -10.892 -0.937 1.00 0.00 N ATOM 315 CA ASP A 22 -11.132 -10.557 0.282 1.00 0.00 C ATOM 316 C ASP A 22 -10.155 -9.932 1.271 1.00 0.00 C ATOM 317 O ASP A 22 -10.460 -9.637 2.421 1.00 0.00 O ATOM 318 CB ASP A 22 -11.781 -11.813 0.864 1.00 0.00 C ATOM 319 CG ASP A 22 -12.711 -11.540 2.014 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.832 -11.067 1.775 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.343 -11.811 3.171 1.00 0.00 O ATOM 0 H ASP A 22 -9.600 -11.510 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.929 -9.846 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.334 -12.323 0.075 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.998 -12.494 1.196 1.00 0.00 H new ATOM 326 N GLU A 23 -8.995 -9.674 0.762 1.00 0.00 N ATOM 327 CA GLU A 23 -7.874 -9.211 1.551 1.00 0.00 C ATOM 328 C GLU A 23 -7.762 -7.695 1.502 1.00 0.00 C ATOM 329 O GLU A 23 -7.407 -7.055 2.486 1.00 0.00 O ATOM 330 CB GLU A 23 -6.606 -9.804 0.981 1.00 0.00 C ATOM 331 CG GLU A 23 -6.729 -11.266 0.614 1.00 0.00 C ATOM 332 CD GLU A 23 -7.011 -12.159 1.793 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.093 -12.428 2.589 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.164 -12.601 1.948 1.00 0.00 O ATOM 0 H GLU A 23 -8.784 -9.777 -0.231 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.023 -9.519 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.318 -9.239 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.802 -9.688 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.527 -11.383 -0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.806 -11.591 0.135 1.00 0.00 H new ATOM 341 N LEU A 24 -8.099 -7.113 0.359 1.00 0.00 N ATOM 342 CA LEU A 24 -7.952 -5.677 0.172 1.00 0.00 C ATOM 343 C LEU A 24 -8.958 -4.962 1.024 1.00 0.00 C ATOM 344 O LEU A 24 -8.723 -3.863 1.476 1.00 0.00 O ATOM 345 CB LEU A 24 -8.169 -5.290 -1.274 1.00 0.00 C ATOM 346 CG LEU A 24 -7.283 -4.188 -1.817 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.819 -4.608 -1.776 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.685 -3.856 -3.226 1.00 0.00 C ATOM 0 H LEU A 24 -8.474 -7.611 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.939 -5.396 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.026 -6.178 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.208 -4.983 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.406 -3.303 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.198 -3.803 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.530 -4.818 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.680 -5.503 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.044 -3.063 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.581 -4.742 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.722 -3.522 -3.239 1.00 0.00 H new ATOM 360 N LYS A 25 -10.069 -5.635 1.246 1.00 0.00 N ATOM 361 CA LYS A 25 -11.159 -5.156 2.079 1.00 0.00 C ATOM 362 C LYS A 25 -10.622 -4.803 3.464 1.00 0.00 C ATOM 363 O LYS A 25 -10.946 -3.753 4.024 1.00 0.00 O ATOM 364 CB LYS A 25 -12.193 -6.267 2.183 1.00 0.00 C ATOM 365 CG LYS A 25 -12.701 -6.734 0.829 1.00 0.00 C ATOM 366 CD LYS A 25 -13.519 -7.992 0.958 1.00 0.00 C ATOM 367 CE LYS A 25 -14.015 -8.474 -0.395 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.828 -9.705 -0.279 1.00 0.00 N ATOM 0 H LYS A 25 -10.245 -6.555 0.842 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.613 -4.265 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.756 -7.114 2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.035 -5.917 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.305 -5.949 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.857 -6.913 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.918 -8.772 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.370 -7.809 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.609 -7.690 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.163 -8.662 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.004 -10.095 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.317 -10.406 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.735 -9.480 0.177 1.00 0.00 H new ATOM 382 N SER A 26 -9.772 -5.676 3.981 1.00 0.00 N ATOM 383 CA SER A 26 -9.108 -5.497 5.213 1.00 0.00 C ATOM 384 C SER A 26 -8.144 -4.316 5.127 1.00 0.00 C ATOM 385 O SER A 26 -8.244 -3.372 5.895 1.00 0.00 O ATOM 386 CB SER A 26 -8.334 -6.757 5.465 1.00 0.00 C ATOM 387 OG SER A 26 -9.197 -7.879 5.507 1.00 0.00 O ATOM 0 H SER A 26 -9.533 -6.553 3.518 1.00 0.00 H new ATOM 0 HA SER A 26 -9.819 -5.294 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.590 -6.895 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.793 -6.674 6.407 1.00 0.00 H new ATOM 0 HG SER A 26 -8.672 -8.690 5.671 1.00 0.00 H new ATOM 393 N PHE A 27 -7.256 -4.381 4.146 1.00 0.00 N ATOM 394 CA PHE A 27 -6.215 -3.382 3.901 1.00 0.00 C ATOM 395 C PHE A 27 -6.808 -1.955 3.834 1.00 0.00 C ATOM 396 O PHE A 27 -6.341 -1.053 4.535 1.00 0.00 O ATOM 397 CB PHE A 27 -5.496 -3.757 2.591 1.00 0.00 C ATOM 398 CG PHE A 27 -4.355 -2.851 2.167 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.589 -1.672 1.480 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.048 -3.191 2.459 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.542 -0.853 1.097 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.997 -2.375 2.078 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.247 -1.205 1.397 1.00 0.00 C ATOM 0 H PHE A 27 -7.235 -5.151 3.477 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.502 -3.378 4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.109 -4.771 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.234 -3.776 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.603 -1.388 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.843 -4.107 2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.742 0.064 0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.981 -2.656 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.429 -0.566 1.099 1.00 0.00 H new ATOM 413 N LYS A 28 -7.855 -1.785 3.014 1.00 0.00 N ATOM 414 CA LYS A 28 -8.556 -0.497 2.848 1.00 0.00 C ATOM 415 C LYS A 28 -9.025 0.030 4.201 1.00 0.00 C ATOM 416 O LYS A 28 -8.804 1.179 4.551 1.00 0.00 O ATOM 417 CB LYS A 28 -9.796 -0.679 1.947 1.00 0.00 C ATOM 418 CG LYS A 28 -9.517 -1.072 0.503 1.00 0.00 C ATOM 419 CD LYS A 28 -10.808 -1.497 -0.199 1.00 0.00 C ATOM 420 CE LYS A 28 -10.558 -1.915 -1.640 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.761 -2.499 -2.279 1.00 0.00 N ATOM 0 H LYS A 28 -8.243 -2.537 2.444 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.861 0.209 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.437 -1.440 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.361 0.253 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.068 -0.233 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.796 -1.889 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.262 -2.325 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.521 -0.673 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.230 -1.049 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.746 -2.642 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.839 -2.150 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.681 -3.536 -2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.608 -2.221 -1.743 1.00 0.00 H new ATOM 435 N SER A 29 -9.635 -0.845 4.953 1.00 0.00 N ATOM 436 CA SER A 29 -10.197 -0.549 6.219 1.00 0.00 C ATOM 437 C SER A 29 -9.131 -0.198 7.251 1.00 0.00 C ATOM 438 O SER A 29 -9.228 0.798 7.938 1.00 0.00 O ATOM 439 CB SER A 29 -10.931 -1.775 6.640 1.00 0.00 C ATOM 440 OG SER A 29 -12.041 -2.053 5.789 1.00 0.00 O ATOM 0 H SER A 29 -9.753 -1.820 4.679 1.00 0.00 H new ATOM 0 HA SER A 29 -10.851 0.320 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.249 -2.625 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.282 -1.653 7.665 1.00 0.00 H new ATOM 0 HG SER A 29 -11.838 -2.832 5.230 1.00 0.00 H new ATOM 446 N LEU A 30 -8.143 -1.038 7.346 1.00 0.00 N ATOM 447 CA LEU A 30 -7.023 -0.866 8.265 1.00 0.00 C ATOM 448 C LEU A 30 -6.281 0.438 8.030 1.00 0.00 C ATOM 449 O LEU A 30 -5.832 1.086 8.979 1.00 0.00 O ATOM 450 CB LEU A 30 -6.084 -2.049 8.145 1.00 0.00 C ATOM 451 CG LEU A 30 -6.675 -3.386 8.583 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.749 -4.513 8.203 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.915 -3.399 10.086 1.00 0.00 C ATOM 0 H LEU A 30 -8.079 -1.885 6.781 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.423 -0.819 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.761 -2.134 7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.194 -1.849 8.741 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.630 -3.522 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.181 -5.462 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.610 -4.521 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.785 -4.372 8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.337 -4.361 10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.970 -3.243 10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.610 -2.602 10.350 1.00 0.00 H new ATOM 465 N LEU A 31 -6.188 0.855 6.783 1.00 0.00 N ATOM 466 CA LEU A 31 -5.513 2.094 6.484 1.00 0.00 C ATOM 467 C LEU A 31 -6.444 3.272 6.789 1.00 0.00 C ATOM 468 O LEU A 31 -6.018 4.393 6.871 1.00 0.00 O ATOM 469 CB LEU A 31 -4.955 2.095 5.027 1.00 0.00 C ATOM 470 CG LEU A 31 -5.896 2.444 3.861 1.00 0.00 C ATOM 471 CD1 LEU A 31 -5.923 3.942 3.625 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.474 1.728 2.596 1.00 0.00 C ATOM 0 H LEU A 31 -6.566 0.361 5.975 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.639 2.203 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.121 2.796 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.546 1.104 4.832 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.899 2.113 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.594 4.168 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.275 4.446 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.919 4.290 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.154 1.990 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.460 2.027 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.504 0.651 2.760 1.00 0.00 H new ATOM 484 N TRP A 32 -7.709 2.979 6.994 1.00 0.00 N ATOM 485 CA TRP A 32 -8.680 3.992 7.339 1.00 0.00 C ATOM 486 C TRP A 32 -8.878 3.998 8.849 1.00 0.00 C ATOM 487 O TRP A 32 -9.612 4.822 9.403 1.00 0.00 O ATOM 488 CB TRP A 32 -10.015 3.694 6.659 1.00 0.00 C ATOM 489 CG TRP A 32 -10.620 4.903 6.049 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.717 5.600 6.454 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.108 5.568 4.920 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.921 6.664 5.606 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.935 6.664 4.654 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.020 5.322 4.107 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.699 7.528 3.589 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.775 6.176 3.044 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.612 7.271 2.795 1.00 0.00 C ATOM 0 H TRP A 32 -8.092 2.036 6.927 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.318 4.964 7.004 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.867 2.937 5.889 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.706 3.274 7.390 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.331 5.356 7.308 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.681 7.341 5.674 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.372 4.479 4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.348 8.369 3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.928 5.995 2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.397 7.924 1.962 1.00 0.00 H new ATOM 508 N ALA A 33 -8.235 3.052 9.507 1.00 0.00 N ATOM 509 CA ALA A 33 -8.357 2.879 10.932 1.00 0.00 C ATOM 510 C ALA A 33 -7.318 3.688 11.667 1.00 0.00 C ATOM 511 O ALA A 33 -7.588 4.213 12.749 1.00 0.00 O ATOM 512 CB ALA A 33 -8.256 1.406 11.307 1.00 0.00 C ATOM 0 H ALA A 33 -7.611 2.381 9.060 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.340 3.242 11.231 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.351 1.298 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.054 0.850 10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.291 1.014 10.987 1.00 0.00 H new ATOM 518 N PHE A 34 -6.122 3.795 11.096 1.00 0.00 N ATOM 519 CA PHE A 34 -5.079 4.566 11.728 1.00 0.00 C ATOM 520 C PHE A 34 -5.402 6.063 11.552 1.00 0.00 C ATOM 521 O PHE A 34 -6.136 6.423 10.618 1.00 0.00 O ATOM 522 CB PHE A 34 -3.660 4.186 11.169 1.00 0.00 C ATOM 523 CG PHE A 34 -3.306 4.694 9.791 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.912 6.013 9.598 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.341 3.855 8.704 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.582 6.475 8.349 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.005 4.315 7.447 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.630 5.627 7.272 1.00 0.00 C ATOM 0 H PHE A 34 -5.862 3.361 10.210 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.044 4.337 12.793 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.910 4.555 11.869 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.580 3.099 11.160 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.865 6.684 10.443 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.635 2.824 8.834 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.285 7.505 8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.036 3.645 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.374 5.989 6.287 1.00 0.00 H new ATOM 672 N THR A 43 -7.737 11.143 0.863 1.00 0.00 N ATOM 673 CA THR A 43 -7.518 10.059 -0.068 1.00 0.00 C ATOM 674 C THR A 43 -8.853 9.587 -0.656 1.00 0.00 C ATOM 675 O THR A 43 -9.789 9.271 0.086 1.00 0.00 O ATOM 676 CB THR A 43 -6.801 8.882 0.630 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.664 9.380 1.325 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.313 7.874 -0.379 1.00 0.00 C ATOM 0 HA THR A 43 -6.884 10.422 -0.877 1.00 0.00 H new ATOM 0 HB THR A 43 -7.508 8.406 1.309 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.840 10.296 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.812 7.055 0.138 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.161 7.483 -0.942 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.613 8.354 -1.063 1.00 0.00 H new ATOM 686 N PRO A 44 -8.970 9.609 -1.987 1.00 0.00 N ATOM 687 CA PRO A 44 -10.193 9.238 -2.682 1.00 0.00 C ATOM 688 C PRO A 44 -10.550 7.750 -2.534 1.00 0.00 C ATOM 689 O PRO A 44 -10.127 6.902 -3.334 1.00 0.00 O ATOM 690 CB PRO A 44 -9.923 9.603 -4.146 1.00 0.00 C ATOM 691 CG PRO A 44 -8.437 9.638 -4.265 1.00 0.00 C ATOM 692 CD PRO A 44 -7.909 10.033 -2.916 1.00 0.00 C ATOM 0 HA PRO A 44 -11.054 9.759 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.356 8.867 -4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.363 10.568 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.049 8.664 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.126 10.352 -5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.963 9.538 -2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.729 11.106 -2.855 1.00 0.00 H new ATOM 700 N TRP A 45 -11.315 7.449 -1.492 1.00 0.00 N ATOM 701 CA TRP A 45 -11.759 6.099 -1.174 1.00 0.00 C ATOM 702 C TRP A 45 -12.578 5.523 -2.323 1.00 0.00 C ATOM 703 O TRP A 45 -12.510 4.338 -2.600 1.00 0.00 O ATOM 704 CB TRP A 45 -12.581 6.108 0.133 1.00 0.00 C ATOM 705 CG TRP A 45 -13.181 4.774 0.521 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.345 4.244 0.058 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.663 3.823 1.456 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.579 3.032 0.633 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.569 2.748 1.498 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.531 3.770 2.254 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.375 1.639 2.309 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.340 2.669 3.061 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.257 1.618 3.083 1.00 0.00 C ATOM 0 H TRP A 45 -11.650 8.151 -0.832 1.00 0.00 H new ATOM 0 HA TRP A 45 -10.884 5.465 -1.030 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -11.940 6.451 0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.386 6.836 0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -14.993 4.718 -0.664 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.383 2.433 0.445 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -10.812 4.576 2.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.084 0.824 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.463 2.619 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.075 0.771 3.728 1.00 0.00 H new ATOM 724 N SER A 46 -13.306 6.374 -3.008 1.00 0.00 N ATOM 725 CA SER A 46 -14.120 5.947 -4.132 1.00 0.00 C ATOM 726 C SER A 46 -13.236 5.310 -5.233 1.00 0.00 C ATOM 727 O SER A 46 -13.666 4.409 -5.956 1.00 0.00 O ATOM 728 CB SER A 46 -14.908 7.136 -4.666 1.00 0.00 C ATOM 729 OG SER A 46 -15.619 7.782 -3.607 1.00 0.00 O ATOM 0 H SER A 46 -13.354 7.373 -2.808 1.00 0.00 H new ATOM 0 HA SER A 46 -14.826 5.185 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.230 7.845 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.609 6.801 -5.431 1.00 0.00 H new ATOM 0 HG SER A 46 -16.119 8.545 -3.966 1.00 0.00 H new ATOM 735 N GLU A 47 -11.989 5.750 -5.323 1.00 0.00 N ATOM 736 CA GLU A 47 -11.079 5.160 -6.264 1.00 0.00 C ATOM 737 C GLU A 47 -10.437 3.922 -5.673 1.00 0.00 C ATOM 738 O GLU A 47 -10.271 2.919 -6.366 1.00 0.00 O ATOM 739 CB GLU A 47 -10.021 6.149 -6.741 1.00 0.00 C ATOM 740 CG GLU A 47 -10.593 7.330 -7.505 1.00 0.00 C ATOM 741 CD GLU A 47 -9.523 8.172 -8.143 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.028 9.108 -7.505 1.00 0.00 O ATOM 743 OE2 GLU A 47 -9.165 7.901 -9.315 1.00 0.00 O ATOM 0 H GLU A 47 -11.598 6.505 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.658 4.870 -7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.467 6.519 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.308 5.626 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.273 6.966 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.181 7.948 -6.827 1.00 0.00 H new ATOM 750 N VAL A 48 -10.139 3.974 -4.367 1.00 0.00 N ATOM 751 CA VAL A 48 -9.468 2.862 -3.678 1.00 0.00 C ATOM 752 C VAL A 48 -10.392 1.638 -3.616 1.00 0.00 C ATOM 753 O VAL A 48 -9.933 0.505 -3.586 1.00 0.00 O ATOM 754 CB VAL A 48 -8.992 3.223 -2.208 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.394 4.598 -2.112 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.050 2.989 -1.130 1.00 0.00 C ATOM 0 H VAL A 48 -10.351 4.772 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.576 2.643 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.197 2.508 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.086 4.790 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.527 4.664 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.135 5.339 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.643 3.261 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.926 3.602 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.336 1.937 -1.123 1.00 0.00 H new ATOM 766 N GLU A 49 -11.698 1.902 -3.602 1.00 0.00 N ATOM 767 CA GLU A 49 -12.687 0.874 -3.502 1.00 0.00 C ATOM 768 C GLU A 49 -12.711 0.011 -4.718 1.00 0.00 C ATOM 769 O GLU A 49 -12.637 -1.218 -4.628 1.00 0.00 O ATOM 770 CB GLU A 49 -14.051 1.460 -3.301 1.00 0.00 C ATOM 771 CG GLU A 49 -14.749 0.794 -2.151 1.00 0.00 C ATOM 772 CD GLU A 49 -14.960 -0.691 -2.312 1.00 0.00 C ATOM 773 OE1 GLU A 49 -15.930 -1.100 -2.980 1.00 0.00 O ATOM 774 OE2 GLU A 49 -14.145 -1.477 -1.780 1.00 0.00 O ATOM 0 H GLU A 49 -12.083 2.845 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.417 0.264 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.968 2.530 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.641 1.341 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.171 0.968 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.719 1.271 -2.008 1.00 0.00 H new ATOM 781 N GLU A 50 -12.778 0.640 -5.859 1.00 0.00 N ATOM 782 CA GLU A 50 -12.902 -0.106 -7.071 1.00 0.00 C ATOM 783 C GLU A 50 -11.560 -0.686 -7.510 1.00 0.00 C ATOM 784 O GLU A 50 -11.495 -1.614 -8.322 1.00 0.00 O ATOM 785 CB GLU A 50 -13.510 0.713 -8.197 1.00 0.00 C ATOM 786 CG GLU A 50 -14.919 1.197 -7.940 1.00 0.00 C ATOM 787 CD GLU A 50 -15.513 1.824 -9.165 1.00 0.00 C ATOM 788 OE1 GLU A 50 -16.048 1.074 -10.019 1.00 0.00 O ATOM 789 OE2 GLU A 50 -15.450 3.063 -9.316 1.00 0.00 O ATOM 0 H GLU A 50 -12.749 1.653 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.584 -0.928 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.873 1.577 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.507 0.112 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.540 0.360 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.914 1.921 -7.125 1.00 0.00 H new ATOM 796 N ALA A 51 -10.510 -0.141 -6.966 1.00 0.00 N ATOM 797 CA ALA A 51 -9.182 -0.536 -7.305 1.00 0.00 C ATOM 798 C ALA A 51 -8.766 -1.764 -6.565 1.00 0.00 C ATOM 799 O ALA A 51 -9.210 -2.023 -5.445 1.00 0.00 O ATOM 800 CB ALA A 51 -8.217 0.577 -7.017 1.00 0.00 C ATOM 0 H ALA A 51 -10.558 0.599 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.171 -0.762 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.208 0.261 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.488 1.454 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.254 0.825 -5.956 1.00 0.00 H new ATOM 806 N ASP A 52 -7.925 -2.511 -7.205 1.00 0.00 N ATOM 807 CA ASP A 52 -7.331 -3.679 -6.645 1.00 0.00 C ATOM 808 C ASP A 52 -5.899 -3.702 -7.076 1.00 0.00 C ATOM 809 O ASP A 52 -5.562 -3.070 -8.094 1.00 0.00 O ATOM 810 CB ASP A 52 -8.027 -4.974 -7.109 1.00 0.00 C ATOM 811 CG ASP A 52 -7.846 -5.284 -8.588 1.00 0.00 C ATOM 812 OD1 ASP A 52 -6.821 -5.887 -8.978 1.00 0.00 O ATOM 813 OD2 ASP A 52 -8.726 -4.931 -9.388 1.00 0.00 O ATOM 0 H ASP A 52 -7.624 -2.318 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.429 -3.640 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.642 -5.810 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.093 -4.898 -6.893 1.00 0.00 H new ATOM 818 N GLY A 53 -5.065 -4.347 -6.281 1.00 0.00 N ATOM 819 CA GLY A 53 -3.661 -4.572 -6.597 1.00 0.00 C ATOM 820 C GLY A 53 -2.905 -3.358 -7.114 1.00 0.00 C ATOM 821 O GLY A 53 -2.654 -2.391 -6.374 1.00 0.00 O ATOM 0 H GLY A 53 -5.346 -4.737 -5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.159 -4.937 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.597 -5.364 -7.343 1.00 0.00 H new ATOM 825 N LYS A 54 -2.601 -3.396 -8.405 1.00 0.00 N ATOM 826 CA LYS A 54 -1.827 -2.370 -9.084 1.00 0.00 C ATOM 827 C LYS A 54 -2.522 -1.044 -9.010 1.00 0.00 C ATOM 828 O LYS A 54 -1.890 -0.002 -8.829 1.00 0.00 O ATOM 829 CB LYS A 54 -1.642 -2.724 -10.556 1.00 0.00 C ATOM 830 CG LYS A 54 -0.597 -1.867 -11.255 1.00 0.00 C ATOM 831 CD LYS A 54 -1.109 -1.218 -12.531 1.00 0.00 C ATOM 832 CE LYS A 54 -1.897 0.051 -12.247 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.022 1.210 -11.894 1.00 0.00 N ATOM 0 H LYS A 54 -2.892 -4.156 -9.019 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.858 -2.311 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.355 -3.772 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.596 -2.614 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.258 -1.089 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.270 -2.484 -11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.267 -0.984 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.741 -1.925 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.494 0.306 -13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.593 -0.135 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.604 2.066 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.534 1.016 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.318 1.356 -12.646 1.00 0.00 H new ATOM 847 N LYS A 55 -3.819 -1.079 -9.138 1.00 0.00 N ATOM 848 CA LYS A 55 -4.589 0.123 -9.158 1.00 0.00 C ATOM 849 C LYS A 55 -4.550 0.812 -7.823 1.00 0.00 C ATOM 850 O LYS A 55 -4.429 2.016 -7.753 1.00 0.00 O ATOM 851 CB LYS A 55 -6.026 -0.137 -9.576 1.00 0.00 C ATOM 852 CG LYS A 55 -6.217 -0.426 -11.047 1.00 0.00 C ATOM 853 CD LYS A 55 -5.911 0.795 -11.916 1.00 0.00 C ATOM 854 CE LYS A 55 -6.903 1.938 -11.679 1.00 0.00 C ATOM 855 NZ LYS A 55 -8.274 1.588 -12.105 1.00 0.00 N ATOM 0 H LYS A 55 -4.364 -1.936 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.138 0.780 -9.901 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.409 -0.981 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.630 0.731 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.569 -1.252 -11.341 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.243 -0.748 -11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.900 1.144 -11.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.936 0.506 -12.967 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.909 2.197 -10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.571 2.823 -12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.876 2.435 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.252 1.220 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.660 0.862 -11.469 1.00 0.00 H new ATOM 869 N LEU A 56 -4.614 0.032 -6.774 1.00 0.00 N ATOM 870 CA LEU A 56 -4.606 0.574 -5.437 1.00 0.00 C ATOM 871 C LEU A 56 -3.261 1.239 -5.137 1.00 0.00 C ATOM 872 O LEU A 56 -3.216 2.332 -4.575 1.00 0.00 O ATOM 873 CB LEU A 56 -4.924 -0.502 -4.407 1.00 0.00 C ATOM 874 CG LEU A 56 -5.090 0.003 -2.973 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.262 0.961 -2.859 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.257 -1.139 -2.017 1.00 0.00 C ATOM 0 H LEU A 56 -4.673 -0.985 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.385 1.333 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.841 -1.010 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.128 -1.246 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.181 0.544 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.354 1.302 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.096 1.818 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.179 0.451 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.373 -0.752 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.142 -1.715 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.378 -1.782 -2.061 1.00 0.00 H new ATOM 888 N ALA A 57 -2.176 0.595 -5.565 1.00 0.00 N ATOM 889 CA ALA A 57 -0.814 1.126 -5.393 1.00 0.00 C ATOM 890 C ALA A 57 -0.692 2.503 -6.045 1.00 0.00 C ATOM 891 O ALA A 57 -0.073 3.417 -5.497 1.00 0.00 O ATOM 892 CB ALA A 57 0.192 0.169 -6.014 1.00 0.00 C ATOM 0 H ALA A 57 -2.210 -0.307 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.608 1.226 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.199 0.565 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.119 -0.803 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.020 0.058 -7.077 1.00 0.00 H new ATOM 898 N GLU A 58 -1.346 2.641 -7.179 1.00 0.00 N ATOM 899 CA GLU A 58 -1.360 3.862 -7.971 1.00 0.00 C ATOM 900 C GLU A 58 -2.079 4.998 -7.213 1.00 0.00 C ATOM 901 O GLU A 58 -1.795 6.185 -7.405 1.00 0.00 O ATOM 902 CB GLU A 58 -2.068 3.561 -9.290 1.00 0.00 C ATOM 903 CG GLU A 58 -2.087 4.678 -10.304 1.00 0.00 C ATOM 904 CD GLU A 58 -2.960 4.331 -11.476 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.624 3.387 -12.225 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.002 4.985 -11.679 1.00 0.00 O ATOM 0 H GLU A 58 -1.899 1.889 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.340 4.195 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.591 2.693 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.098 3.280 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.450 5.593 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.072 4.877 -10.649 1.00 0.00 H new ATOM 913 N ILE A 59 -2.987 4.628 -6.356 1.00 0.00 N ATOM 914 CA ILE A 59 -3.726 5.585 -5.574 1.00 0.00 C ATOM 915 C ILE A 59 -2.945 5.928 -4.294 1.00 0.00 C ATOM 916 O ILE A 59 -2.916 7.081 -3.863 1.00 0.00 O ATOM 917 CB ILE A 59 -5.138 5.035 -5.273 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.817 4.728 -6.613 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.959 6.066 -4.494 1.00 0.00 C ATOM 920 CD1 ILE A 59 -6.943 3.747 -6.538 1.00 0.00 C ATOM 0 H ILE A 59 -3.238 3.656 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.850 6.511 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.067 4.134 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.194 5.660 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.067 4.345 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.951 5.663 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.459 6.293 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.052 6.978 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.360 3.594 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.573 2.798 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.718 4.133 -5.876 1.00 0.00 H new ATOM 932 N LEU A 60 -2.262 4.933 -3.721 1.00 0.00 N ATOM 933 CA LEU A 60 -1.395 5.170 -2.552 1.00 0.00 C ATOM 934 C LEU A 60 -0.230 6.074 -2.919 1.00 0.00 C ATOM 935 O LEU A 60 0.144 6.968 -2.153 1.00 0.00 O ATOM 936 CB LEU A 60 -0.841 3.860 -1.929 1.00 0.00 C ATOM 937 CG LEU A 60 -1.699 3.124 -0.871 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.972 4.009 0.334 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.987 2.602 -1.453 1.00 0.00 C ATOM 0 H LEU A 60 -2.288 3.964 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.026 5.653 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.648 3.162 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.121 4.091 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.118 2.264 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.577 3.462 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.027 4.298 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.508 4.903 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.557 2.093 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.572 3.433 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.765 1.901 -2.258 1.00 0.00 H new ATOM 951 N VAL A 61 0.303 5.886 -4.126 1.00 0.00 N ATOM 952 CA VAL A 61 1.463 6.648 -4.587 1.00 0.00 C ATOM 953 C VAL A 61 1.046 8.092 -4.981 1.00 0.00 C ATOM 954 O VAL A 61 1.872 8.925 -5.390 1.00 0.00 O ATOM 955 CB VAL A 61 2.154 5.911 -5.781 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.386 6.056 -7.080 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.605 6.305 -5.946 1.00 0.00 C ATOM 0 H VAL A 61 -0.051 5.211 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 61 2.183 6.721 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 61 2.140 4.852 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.911 5.525 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.387 5.636 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.307 7.112 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.035 5.764 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.672 7.377 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.155 6.058 -5.038 1.00 0.00 H new ATOM 967 N ASN A 62 -0.227 8.376 -4.832 1.00 0.00 N ATOM 968 CA ASN A 62 -0.778 9.670 -5.162 1.00 0.00 C ATOM 969 C ASN A 62 -0.867 10.552 -3.913 1.00 0.00 C ATOM 970 O ASN A 62 -0.759 11.775 -3.992 1.00 0.00 O ATOM 971 CB ASN A 62 -2.165 9.500 -5.806 1.00 0.00 C ATOM 972 CG ASN A 62 -2.842 10.808 -6.211 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.190 11.803 -6.533 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.150 10.800 -6.243 1.00 0.00 N ATOM 0 H ASN A 62 -0.914 7.711 -4.476 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.118 10.162 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.066 8.869 -6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.813 8.972 -5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.658 11.633 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.662 9.961 -5.970 1.00 0.00 H new ATOM 981 N THR A 63 -1.032 9.937 -2.762 1.00 0.00 N ATOM 982 CA THR A 63 -1.180 10.693 -1.550 1.00 0.00 C ATOM 983 C THR A 63 0.122 10.838 -0.763 1.00 0.00 C ATOM 984 O THR A 63 0.427 11.915 -0.274 1.00 0.00 O ATOM 985 CB THR A 63 -2.305 10.118 -0.660 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.168 8.688 -0.584 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.669 10.473 -1.238 1.00 0.00 C ATOM 0 H THR A 63 -1.066 8.924 -2.646 1.00 0.00 H new ATOM 0 HA THR A 63 -1.464 11.699 -1.859 1.00 0.00 H new ATOM 0 HB THR A 63 -2.225 10.548 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.879 8.321 -0.019 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.452 10.062 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.773 11.557 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.759 10.055 -2.240 1.00 0.00 H new ATOM 995 N SER A 64 0.897 9.786 -0.652 1.00 0.00 N ATOM 996 CA SER A 64 2.075 9.848 0.159 1.00 0.00 C ATOM 997 C SER A 64 3.379 9.627 -0.609 1.00 0.00 C ATOM 998 O SER A 64 3.386 9.192 -1.776 1.00 0.00 O ATOM 999 CB SER A 64 1.944 8.844 1.280 1.00 0.00 C ATOM 1000 OG SER A 64 0.823 9.144 2.080 1.00 0.00 O ATOM 0 H SER A 64 0.731 8.890 -1.109 1.00 0.00 H new ATOM 0 HA SER A 64 2.143 10.864 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.846 7.840 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.847 8.851 1.891 1.00 0.00 H new ATOM 0 HG SER A 64 0.696 8.435 2.744 1.00 0.00 H new ATOM 1006 N SER A 65 4.472 9.951 0.064 1.00 0.00 N ATOM 1007 CA SER A 65 5.810 9.738 -0.430 1.00 0.00 C ATOM 1008 C SER A 65 6.130 8.244 -0.308 1.00 0.00 C ATOM 1009 O SER A 65 5.546 7.548 0.546 1.00 0.00 O ATOM 1010 CB SER A 65 6.792 10.587 0.413 1.00 0.00 C ATOM 1011 OG SER A 65 8.139 10.429 0.001 1.00 0.00 O ATOM 0 H SER A 65 4.445 10.379 0.990 1.00 0.00 H new ATOM 0 HA SER A 65 5.901 10.039 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.514 11.638 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.701 10.306 1.462 1.00 0.00 H new ATOM 0 HG SER A 65 8.720 10.985 0.561 1.00 0.00 H new ATOM 1017 N GLU A 66 7.056 7.748 -1.124 1.00 0.00 N ATOM 1018 CA GLU A 66 7.377 6.319 -1.147 1.00 0.00 C ATOM 1019 C GLU A 66 7.920 5.853 0.195 1.00 0.00 C ATOM 1020 O GLU A 66 7.644 4.741 0.629 1.00 0.00 O ATOM 1021 CB GLU A 66 8.340 5.940 -2.304 1.00 0.00 C ATOM 1022 CG GLU A 66 9.799 6.380 -2.181 1.00 0.00 C ATOM 1023 CD GLU A 66 9.994 7.853 -2.046 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.989 8.563 -3.059 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.161 8.328 -0.923 1.00 0.00 O ATOM 0 H GLU A 66 7.598 8.312 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 66 6.441 5.794 -1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.324 4.856 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.939 6.360 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.242 5.887 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.345 6.033 -3.059 1.00 0.00 H new ATOM 1032 N ASN A 67 8.651 6.738 0.859 1.00 0.00 N ATOM 1033 CA ASN A 67 9.237 6.482 2.175 1.00 0.00 C ATOM 1034 C ASN A 67 8.143 6.158 3.193 1.00 0.00 C ATOM 1035 O ASN A 67 8.346 5.373 4.116 1.00 0.00 O ATOM 1036 CB ASN A 67 10.021 7.713 2.637 1.00 0.00 C ATOM 1037 CG ASN A 67 10.916 7.449 3.831 1.00 0.00 C ATOM 1038 OD1 ASN A 67 10.498 7.573 4.984 1.00 0.00 O ATOM 1039 ND2 ASN A 67 12.160 7.115 3.564 1.00 0.00 N ATOM 0 H ASN A 67 8.859 7.668 0.496 1.00 0.00 H new ATOM 0 HA ASN A 67 9.909 5.628 2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.631 8.077 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.318 8.508 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.818 6.948 4.325 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.467 7.023 2.596 1.00 0.00 H new ATOM 1046 N TRP A 68 6.979 6.733 2.987 1.00 0.00 N ATOM 1047 CA TRP A 68 5.866 6.508 3.861 1.00 0.00 C ATOM 1048 C TRP A 68 5.176 5.211 3.472 1.00 0.00 C ATOM 1049 O TRP A 68 4.991 4.323 4.299 1.00 0.00 O ATOM 1050 CB TRP A 68 4.874 7.679 3.769 1.00 0.00 C ATOM 1051 CG TRP A 68 3.719 7.581 4.728 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.654 8.123 5.966 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.469 6.896 4.524 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.448 7.831 6.543 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.710 7.072 5.682 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.924 6.155 3.475 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.443 6.534 5.824 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.667 5.626 3.613 1.00 0.00 C ATOM 1059 CH2 TRP A 68 -0.063 5.814 4.778 1.00 0.00 C ATOM 0 H TRP A 68 6.785 7.366 2.211 1.00 0.00 H new ATOM 0 HA TRP A 68 6.224 6.436 4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.409 8.610 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.485 7.733 2.752 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.439 8.701 6.431 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.148 8.133 7.470 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.486 6.000 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.127 6.678 6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.238 5.054 2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.050 5.383 4.860 1.00 0.00 H new ATOM 1070 N ILE A 69 4.840 5.093 2.188 1.00 0.00 N ATOM 1071 CA ILE A 69 4.058 3.957 1.676 1.00 0.00 C ATOM 1072 C ILE A 69 4.777 2.636 1.914 1.00 0.00 C ATOM 1073 O ILE A 69 4.141 1.619 2.236 1.00 0.00 O ATOM 1074 CB ILE A 69 3.759 4.087 0.168 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.219 5.475 -0.155 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.716 3.037 -0.222 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.149 5.765 -1.631 1.00 0.00 C ATOM 0 H ILE A 69 5.098 5.774 1.474 1.00 0.00 H new ATOM 0 HA ILE A 69 3.117 3.970 2.226 1.00 0.00 H new ATOM 0 HB ILE A 69 4.682 3.933 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.223 5.577 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.851 6.223 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.497 3.120 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.104 2.041 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.803 3.201 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.756 6.770 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.147 5.695 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.493 5.040 -2.114 1.00 0.00 H new ATOM 1089 N ARG A 70 6.097 2.671 1.795 1.00 0.00 N ATOM 1090 CA ARG A 70 6.931 1.492 1.979 1.00 0.00 C ATOM 1091 C ARG A 70 6.764 0.925 3.389 1.00 0.00 C ATOM 1092 O ARG A 70 6.784 -0.270 3.585 1.00 0.00 O ATOM 1093 CB ARG A 70 8.411 1.817 1.705 1.00 0.00 C ATOM 1094 CG ARG A 70 9.094 2.683 2.752 1.00 0.00 C ATOM 1095 CD ARG A 70 10.512 2.993 2.352 1.00 0.00 C ATOM 1096 NE ARG A 70 11.290 3.609 3.435 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.618 3.721 3.407 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.276 3.465 2.286 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.288 4.107 4.486 1.00 0.00 N ATOM 0 H ARG A 70 6.619 3.517 1.568 1.00 0.00 H new ATOM 0 HA ARG A 70 6.607 0.738 1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.961 0.880 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.482 2.319 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.537 3.611 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.087 2.171 3.714 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.004 2.073 2.036 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.503 3.662 1.492 1.00 0.00 H new ATOM 0 HE ARG A 70 10.790 3.969 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.766 3.183 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.292 3.550 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.787 4.321 5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.304 4.189 4.453 1.00 0.00 H new ATOM 1113 N ASN A 71 6.553 1.806 4.344 1.00 0.00 N ATOM 1114 CA ASN A 71 6.398 1.421 5.730 1.00 0.00 C ATOM 1115 C ASN A 71 4.933 1.133 6.015 1.00 0.00 C ATOM 1116 O ASN A 71 4.595 0.239 6.800 1.00 0.00 O ATOM 1117 CB ASN A 71 6.926 2.544 6.639 1.00 0.00 C ATOM 1118 CG ASN A 71 6.812 2.233 8.120 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.710 1.619 8.710 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.758 2.688 8.742 1.00 0.00 N ATOM 0 H ASN A 71 6.484 2.810 4.180 1.00 0.00 H new ATOM 0 HA ASN A 71 6.973 0.517 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.971 2.735 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.376 3.461 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.656 2.541 9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.037 3.190 8.224 1.00 0.00 H new ATOM 1127 N ALA A 72 4.075 1.876 5.331 1.00 0.00 N ATOM 1128 CA ALA A 72 2.632 1.767 5.459 1.00 0.00 C ATOM 1129 C ALA A 72 2.151 0.373 5.164 1.00 0.00 C ATOM 1130 O ALA A 72 1.513 -0.255 5.999 1.00 0.00 O ATOM 1131 CB ALA A 72 1.956 2.727 4.526 1.00 0.00 C ATOM 0 H ALA A 72 4.370 2.585 4.659 1.00 0.00 H new ATOM 0 HA ALA A 72 2.378 2.008 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.875 2.636 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.260 3.745 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.241 2.498 3.499 1.00 0.00 H new ATOM 1137 N THR A 73 2.489 -0.119 3.980 1.00 0.00 N ATOM 1138 CA THR A 73 2.077 -1.441 3.552 1.00 0.00 C ATOM 1139 C THR A 73 2.644 -2.494 4.492 1.00 0.00 C ATOM 1140 O THR A 73 1.985 -3.450 4.777 1.00 0.00 O ATOM 1141 CB THR A 73 2.463 -1.719 2.055 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.956 -2.983 1.622 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.975 -1.685 1.833 1.00 0.00 C ATOM 0 H THR A 73 3.053 0.386 3.296 1.00 0.00 H new ATOM 0 HA THR A 73 0.989 -1.493 3.600 1.00 0.00 H new ATOM 0 HB THR A 73 2.010 -0.921 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.207 -3.133 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.193 -1.883 0.784 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.361 -0.702 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.451 -2.446 2.452 1.00 0.00 H new ATOM 1151 N VAL A 74 3.828 -2.272 5.021 1.00 0.00 N ATOM 1152 CA VAL A 74 4.390 -3.201 5.969 1.00 0.00 C ATOM 1153 C VAL A 74 3.498 -3.259 7.217 1.00 0.00 C ATOM 1154 O VAL A 74 3.036 -4.312 7.592 1.00 0.00 O ATOM 1155 CB VAL A 74 5.854 -2.827 6.342 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.388 -3.706 7.467 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.745 -2.951 5.115 1.00 0.00 C ATOM 0 H VAL A 74 4.413 -1.463 4.811 1.00 0.00 H new ATOM 0 HA VAL A 74 4.425 -4.188 5.509 1.00 0.00 H new ATOM 0 HB VAL A 74 5.859 -1.796 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.412 -3.416 7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.765 -3.582 8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.369 -4.750 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.769 -2.688 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.717 -3.977 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.388 -2.277 4.336 1.00 0.00 H new ATOM 1167 N ASN A 75 3.185 -2.106 7.780 1.00 0.00 N ATOM 1168 CA ASN A 75 2.364 -2.041 8.995 1.00 0.00 C ATOM 1169 C ASN A 75 0.955 -2.592 8.768 1.00 0.00 C ATOM 1170 O ASN A 75 0.451 -3.343 9.588 1.00 0.00 O ATOM 1171 CB ASN A 75 2.307 -0.616 9.550 1.00 0.00 C ATOM 1172 CG ASN A 75 1.519 -0.526 10.857 1.00 0.00 C ATOM 1173 OD1 ASN A 75 2.056 -0.780 11.943 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.288 -0.094 10.781 1.00 0.00 N ATOM 0 H ASN A 75 3.482 -1.198 7.423 1.00 0.00 H new ATOM 0 HA ASN A 75 2.846 -2.678 9.737 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.322 -0.254 9.716 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.851 0.041 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.258 0.043 11.632 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.127 0.107 9.871 1.00 0.00 H new ATOM 1181 N ILE A 76 0.336 -2.233 7.651 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.018 -2.745 7.328 1.00 0.00 C ATOM 1183 C ILE A 76 -0.973 -4.276 7.190 1.00 0.00 C ATOM 1184 O ILE A 76 -1.816 -4.986 7.729 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.598 -2.160 6.005 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.554 -0.622 5.979 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.035 -2.638 5.806 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.375 0.067 7.037 1.00 0.00 C ATOM 0 H ILE A 76 0.730 -1.600 6.954 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.666 -2.433 8.147 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.971 -2.521 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.517 -0.304 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.895 -0.282 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.431 -2.224 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.052 -3.727 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.648 -2.305 6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.274 1.147 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.422 -0.213 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.023 -0.234 8.024 1.00 0.00 H new ATOM 1200 N LEU A 77 0.023 -4.769 6.479 1.00 0.00 N ATOM 1201 CA LEU A 77 0.213 -6.185 6.293 1.00 0.00 C ATOM 1202 C LEU A 77 0.521 -6.890 7.618 1.00 0.00 C ATOM 1203 O LEU A 77 0.052 -8.004 7.847 1.00 0.00 O ATOM 1204 CB LEU A 77 1.269 -6.447 5.221 1.00 0.00 C ATOM 1205 CG LEU A 77 0.802 -6.360 3.737 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.026 -5.099 3.390 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.962 -6.570 2.784 1.00 0.00 C ATOM 0 H LEU A 77 0.723 -4.191 6.014 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.721 -6.616 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.081 -5.734 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.684 -7.441 5.389 1.00 0.00 H new ATOM 0 HG LEU A 77 0.089 -7.176 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.258 -5.125 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.871 -5.042 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.650 -4.225 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.605 -6.504 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.718 -5.803 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.399 -7.554 2.954 1.00 0.00 H new ATOM 1219 N GLU A 78 1.274 -6.227 8.490 1.00 0.00 N ATOM 1220 CA GLU A 78 1.517 -6.707 9.859 1.00 0.00 C ATOM 1221 C GLU A 78 0.185 -6.842 10.601 1.00 0.00 C ATOM 1222 O GLU A 78 -0.067 -7.825 11.285 1.00 0.00 O ATOM 1223 CB GLU A 78 2.443 -5.741 10.617 1.00 0.00 C ATOM 1224 CG GLU A 78 3.885 -5.712 10.131 1.00 0.00 C ATOM 1225 CD GLU A 78 4.607 -7.011 10.350 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.141 -7.226 11.470 1.00 0.00 O ATOM 1227 OE2 GLU A 78 4.679 -7.838 9.430 1.00 0.00 O ATOM 0 H GLU A 78 1.735 -5.343 8.275 1.00 0.00 H new ATOM 0 HA GLU A 78 2.004 -7.681 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.031 -4.735 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.437 -6.011 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.899 -5.470 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.420 -4.914 10.647 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.673 -5.857 10.409 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.014 -5.822 10.993 1.00 0.00 C ATOM 1236 C GLU A 79 -2.926 -6.910 10.416 1.00 0.00 C ATOM 1237 O GLU A 79 -3.888 -7.329 11.050 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.622 -4.440 10.796 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.968 -3.361 11.642 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.243 -3.532 13.115 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -1.649 -4.420 13.764 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.075 -2.783 13.649 1.00 0.00 O ATOM 0 H GLU A 79 -0.460 -5.042 9.834 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.922 -6.027 12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.542 -4.164 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.685 -4.483 11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.891 -3.375 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.328 -2.384 11.320 1.00 0.00 H new ATOM 1249 N MET A 80 -2.610 -7.372 9.219 1.00 0.00 N ATOM 1250 CA MET A 80 -3.356 -8.456 8.588 1.00 0.00 C ATOM 1251 C MET A 80 -2.726 -9.787 8.966 1.00 0.00 C ATOM 1252 O MET A 80 -3.241 -10.861 8.621 1.00 0.00 O ATOM 1253 CB MET A 80 -3.365 -8.310 7.061 1.00 0.00 C ATOM 1254 CG MET A 80 -4.027 -7.044 6.553 1.00 0.00 C ATOM 1255 SD MET A 80 -4.038 -6.916 4.751 1.00 0.00 S ATOM 1256 CE MET A 80 -5.022 -8.350 4.320 1.00 0.00 C ATOM 0 H MET A 80 -1.837 -7.013 8.658 1.00 0.00 H new ATOM 0 HA MET A 80 -4.387 -8.414 8.940 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.337 -8.337 6.700 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.877 -9.170 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.053 -7.007 6.919 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.509 -6.180 6.968 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.315 -8.288 3.272 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.436 -9.255 4.480 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.914 -8.380 4.945 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.606 -9.693 9.683 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.799 -10.829 10.146 1.00 0.00 C ATOM 1268 C ASN A 81 -0.207 -11.567 8.934 1.00 0.00 C ATOM 1269 O ASN A 81 0.037 -12.773 8.943 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.627 -11.752 11.078 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.789 -12.787 11.815 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.398 -12.581 12.078 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.405 -13.882 12.186 1.00 0.00 N ATOM 0 H ASN A 81 -1.220 -8.793 9.969 1.00 0.00 H new ATOM 0 HA ASN A 81 0.036 -10.469 10.747 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.154 -11.138 11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.385 -12.265 10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.902 -14.598 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.388 -14.019 11.951 1.00 0.00 H new ATOM 1280 N LEU A 82 0.052 -10.801 7.898 1.00 0.00 N ATOM 1281 CA LEU A 82 0.650 -11.290 6.687 1.00 0.00 C ATOM 1282 C LEU A 82 2.138 -11.112 6.791 1.00 0.00 C ATOM 1283 O LEU A 82 2.614 -9.997 6.821 1.00 0.00 O ATOM 1284 CB LEU A 82 0.125 -10.509 5.480 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.325 -10.759 5.073 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.703 -9.869 3.903 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.523 -12.217 4.704 1.00 0.00 C ATOM 0 H LEU A 82 -0.153 -9.802 7.878 1.00 0.00 H new ATOM 0 HA LEU A 82 0.399 -12.342 6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.240 -9.445 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.761 -10.737 4.625 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.970 -10.520 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.739 -10.057 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.589 -8.824 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.053 -10.086 3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.561 -12.382 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.870 -12.473 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.280 -12.845 5.561 1.00 0.00 H new ATOM 1299 N THR A 83 2.857 -12.181 6.896 1.00 0.00 N ATOM 1300 CA THR A 83 4.282 -12.109 7.060 1.00 0.00 C ATOM 1301 C THR A 83 5.006 -12.124 5.726 1.00 0.00 C ATOM 1302 O THR A 83 5.573 -11.128 5.336 1.00 0.00 O ATOM 1303 CB THR A 83 4.778 -13.258 7.949 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.127 -14.480 7.541 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.494 -12.981 9.417 1.00 0.00 C ATOM 0 H THR A 83 2.480 -13.129 6.871 1.00 0.00 H new ATOM 0 HA THR A 83 4.508 -11.160 7.546 1.00 0.00 H new ATOM 0 HB THR A 83 5.858 -13.352 7.833 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.439 -15.220 8.102 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.857 -13.813 10.021 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.001 -12.065 9.719 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.420 -12.867 9.565 1.00 0.00 H new ATOM 1313 N GLU A 84 4.902 -13.241 5.024 1.00 0.00 N ATOM 1314 CA GLU A 84 5.612 -13.525 3.754 1.00 0.00 C ATOM 1315 C GLU A 84 5.819 -12.293 2.826 1.00 0.00 C ATOM 1316 O GLU A 84 6.946 -11.834 2.633 1.00 0.00 O ATOM 1317 CB GLU A 84 4.893 -14.661 3.007 1.00 0.00 C ATOM 1318 CG GLU A 84 3.369 -14.486 2.914 1.00 0.00 C ATOM 1319 CD GLU A 84 2.711 -15.530 2.077 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.646 -16.688 2.505 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.238 -15.208 0.961 1.00 0.00 O ATOM 0 H GLU A 84 4.304 -14.012 5.320 1.00 0.00 H new ATOM 0 HA GLU A 84 6.621 -13.828 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.302 -14.734 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.110 -15.605 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.944 -14.512 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.147 -13.503 2.499 1.00 0.00 H new ATOM 1328 N LEU A 85 4.740 -11.737 2.328 1.00 0.00 N ATOM 1329 CA LEU A 85 4.808 -10.637 1.390 1.00 0.00 C ATOM 1330 C LEU A 85 5.185 -9.326 2.081 1.00 0.00 C ATOM 1331 O LEU A 85 5.815 -8.475 1.496 1.00 0.00 O ATOM 1332 CB LEU A 85 3.512 -10.499 0.541 1.00 0.00 C ATOM 1333 CG LEU A 85 2.187 -10.110 1.237 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.118 -9.867 0.195 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.708 -11.183 2.203 1.00 0.00 C ATOM 0 H LEU A 85 3.791 -12.032 2.560 1.00 0.00 H new ATOM 0 HA LEU A 85 5.609 -10.872 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.705 -9.756 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.349 -11.451 0.036 1.00 0.00 H new ATOM 0 HG LEU A 85 2.375 -9.203 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.185 -9.593 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.431 -9.058 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.967 -10.775 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.775 -10.864 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.544 -12.114 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.462 -11.340 2.975 1.00 0.00 H new ATOM 1347 N CYS A 86 4.850 -9.206 3.337 1.00 0.00 N ATOM 1348 CA CYS A 86 5.192 -8.028 4.117 1.00 0.00 C ATOM 1349 C CYS A 86 6.707 -7.959 4.267 1.00 0.00 C ATOM 1350 O CYS A 86 7.326 -6.925 4.061 1.00 0.00 O ATOM 1351 CB CYS A 86 4.558 -8.149 5.476 1.00 0.00 C ATOM 1352 SG CYS A 86 4.906 -6.809 6.623 1.00 0.00 S ATOM 0 H CYS A 86 4.333 -9.916 3.856 1.00 0.00 H new ATOM 0 HA CYS A 86 4.832 -7.126 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.478 -8.221 5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.888 -9.084 5.928 1.00 0.00 H new ATOM 0 HG CYS A 86 4.955 -7.277 7.835 1.00 0.00 H new ATOM 1358 N LYS A 87 7.292 -9.095 4.581 1.00 0.00 N ATOM 1359 CA LYS A 87 8.729 -9.232 4.734 1.00 0.00 C ATOM 1360 C LYS A 87 9.411 -8.981 3.407 1.00 0.00 C ATOM 1361 O LYS A 87 10.504 -8.420 3.350 1.00 0.00 O ATOM 1362 CB LYS A 87 9.046 -10.631 5.220 1.00 0.00 C ATOM 1363 CG LYS A 87 8.392 -10.972 6.547 1.00 0.00 C ATOM 1364 CD LYS A 87 8.512 -12.448 6.866 1.00 0.00 C ATOM 1365 CE LYS A 87 9.948 -12.865 7.022 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.597 -12.197 8.179 1.00 0.00 N ATOM 0 H LYS A 87 6.778 -9.962 4.740 1.00 0.00 H new ATOM 0 HA LYS A 87 9.091 -8.504 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.722 -11.351 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.126 -10.737 5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.856 -10.389 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.339 -10.690 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.967 -12.668 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.047 -13.032 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.000 -13.946 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.496 -12.626 6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.502 -12.666 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.769 -11.197 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.975 -12.260 9.010 1.00 0.00 H new ATOM 1380 N MET A 88 8.736 -9.378 2.341 1.00 0.00 N ATOM 1381 CA MET A 88 9.215 -9.181 1.005 1.00 0.00 C ATOM 1382 C MET A 88 9.229 -7.688 0.705 1.00 0.00 C ATOM 1383 O MET A 88 10.187 -7.175 0.162 1.00 0.00 O ATOM 1384 CB MET A 88 8.315 -9.923 0.031 1.00 0.00 C ATOM 1385 CG MET A 88 8.879 -10.044 -1.357 1.00 0.00 C ATOM 1386 SD MET A 88 10.425 -10.978 -1.374 1.00 0.00 S ATOM 1387 CE MET A 88 10.738 -11.066 -3.135 1.00 0.00 C ATOM 0 H MET A 88 7.833 -9.849 2.391 1.00 0.00 H new ATOM 0 HA MET A 88 10.227 -9.572 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.122 -10.922 0.421 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.355 -9.410 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.151 -10.534 -2.004 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.051 -9.049 -1.767 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.415 -11.894 -3.343 1.00 0.00 H new ATOM 0 HE2 MET A 88 9.798 -11.224 -3.664 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.192 -10.134 -3.471 1.00 0.00 H new ATOM 1397 N ALA A 89 8.169 -6.994 1.126 1.00 0.00 N ATOM 1398 CA ALA A 89 8.062 -5.539 0.992 1.00 0.00 C ATOM 1399 C ALA A 89 9.237 -4.869 1.681 1.00 0.00 C ATOM 1400 O ALA A 89 9.871 -3.969 1.130 1.00 0.00 O ATOM 1401 CB ALA A 89 6.773 -5.038 1.622 1.00 0.00 C ATOM 0 H ALA A 89 7.359 -7.426 1.570 1.00 0.00 H new ATOM 0 HA ALA A 89 8.063 -5.293 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.711 -3.955 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.921 -5.502 1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.761 -5.297 2.681 1.00 0.00 H new ATOM 1407 N LYS A 90 9.552 -5.364 2.866 1.00 0.00 N ATOM 1408 CA LYS A 90 10.653 -4.857 3.685 1.00 0.00 C ATOM 1409 C LYS A 90 12.008 -5.097 3.008 1.00 0.00 C ATOM 1410 O LYS A 90 12.999 -4.455 3.343 1.00 0.00 O ATOM 1411 CB LYS A 90 10.646 -5.545 5.053 1.00 0.00 C ATOM 1412 CG LYS A 90 9.342 -5.400 5.819 1.00 0.00 C ATOM 1413 CD LYS A 90 9.329 -6.174 7.145 1.00 0.00 C ATOM 1414 CE LYS A 90 10.010 -5.432 8.301 1.00 0.00 C ATOM 1415 NZ LYS A 90 11.452 -5.174 8.099 1.00 0.00 N ATOM 0 H LYS A 90 9.047 -6.139 3.296 1.00 0.00 H new ATOM 0 HA LYS A 90 10.511 -3.783 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.856 -6.605 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.456 -5.136 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.162 -4.344 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.520 -5.750 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.296 -6.387 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.825 -7.134 7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.502 -4.480 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.882 -6.013 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.923 -5.091 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.874 -5.960 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.575 -4.289 7.567 1.00 0.00 H new ATOM 1429 N ALA A 91 12.034 -6.008 2.061 1.00 0.00 N ATOM 1430 CA ALA A 91 13.246 -6.360 1.364 1.00 0.00 C ATOM 1431 C ALA A 91 13.268 -5.784 -0.056 1.00 0.00 C ATOM 1432 O ALA A 91 14.230 -5.991 -0.806 1.00 0.00 O ATOM 1433 CB ALA A 91 13.397 -7.887 1.332 1.00 0.00 C ATOM 0 H ALA A 91 11.211 -6.526 1.753 1.00 0.00 H new ATOM 0 HA ALA A 91 14.089 -5.926 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.314 -8.151 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.442 -8.270 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.543 -8.326 0.817 1.00 0.00 H new ATOM 1439 N GLU A 92 12.212 -5.070 -0.430 1.00 0.00 N ATOM 1440 CA GLU A 92 12.107 -4.527 -1.785 1.00 0.00 C ATOM 1441 C GLU A 92 11.812 -3.033 -1.803 1.00 0.00 C ATOM 1442 O GLU A 92 12.501 -2.269 -2.474 1.00 0.00 O ATOM 1443 CB GLU A 92 11.042 -5.272 -2.566 1.00 0.00 C ATOM 1444 CG GLU A 92 11.355 -6.734 -2.797 1.00 0.00 C ATOM 1445 CD GLU A 92 10.366 -7.408 -3.684 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.193 -7.472 -3.334 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.774 -7.928 -4.745 1.00 0.00 O ATOM 0 H GLU A 92 11.422 -4.854 0.178 1.00 0.00 H new ATOM 0 HA GLU A 92 13.080 -4.667 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.094 -5.194 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.906 -4.784 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.348 -6.822 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.385 -7.250 -1.837 1.00 0.00 H new ATOM 1454 N MET A 93 10.811 -2.619 -1.044 1.00 0.00 N ATOM 1455 CA MET A 93 10.384 -1.214 -0.995 1.00 0.00 C ATOM 1456 C MET A 93 11.227 -0.406 -0.017 1.00 0.00 C ATOM 1457 O MET A 93 11.022 0.783 0.178 1.00 0.00 O ATOM 1458 CB MET A 93 8.875 -1.108 -0.668 1.00 0.00 C ATOM 1459 CG MET A 93 7.980 -0.753 -1.844 1.00 0.00 C ATOM 1460 SD MET A 93 7.832 1.029 -2.195 1.00 0.00 S ATOM 1461 CE MET A 93 9.488 1.468 -2.722 1.00 0.00 C ATOM 0 H MET A 93 10.267 -3.238 -0.443 1.00 0.00 H new ATOM 0 HA MET A 93 10.542 -0.783 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.542 -2.059 -0.253 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.740 -0.357 0.110 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.362 -1.252 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.984 -1.154 -1.656 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.465 2.434 -3.226 1.00 0.00 H new ATOM 0 HE2 MET A 93 10.143 1.528 -1.853 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.865 0.709 -3.408 1.00 0.00 H new