USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 777 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 9 GLN : amide:sc= 0.6 K(o=0.99,f=-2.1) USER MOD Set 1.2: A 45 ASN : amide:sc= 0.388 K(o=0.99,f=0.42) USER MOD Single : A 1 LYS N :NH3+ -126:sc= 0.0443 (180deg=-0.0162) USER MOD Single : A 1 LYS NZ :NH3+ -147:sc= 0.456 (180deg=-0.339!) USER MOD Single : A 5 THR OG1 : rot 55:sc= 0.843 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 2.38 (180deg=2.12) USER MOD Single : A 13 GLN : amide:sc= 0.554 K(o=0.55,f=-5!) USER MOD Single : A 22 SER OG : rot -0:sc= 1.2 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.956 K(o=0.96,f=-0.13) USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.749) USER MOD Single : A 47 GLN : amide:sc= -0.0544 X(o=-0.054,f=-0.48) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.57 K(o=0.57,f=-2.7!) USER MOD Single : A 57 GLN : amide:sc= 0.115 K(o=0.12,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.0403 X(o=0.04,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= 0.867 (180deg=0.0929!) USER MOD Single : A 74 TYR OH : rot -35:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 78 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.15) USER MOD Single : A 82 ASN : amide:sc= 1.9 K(o=1.9,f=-3.9!) USER MOD Single : A 84 THR OG1 : rot 110:sc= 1.28 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 1.573 14.143 3.339 1.00 0.00 N ATOM 36 CA LYS A 1 0.365 13.998 4.212 1.00 0.00 C ATOM 37 C LYS A 1 0.275 12.552 4.817 1.00 0.00 C ATOM 38 O LYS A 1 1.257 11.802 4.831 1.00 0.00 O ATOM 39 CB LYS A 1 -0.873 14.516 3.404 1.00 0.00 C ATOM 40 CG LYS A 1 -0.993 16.060 3.305 1.00 0.00 C ATOM 41 CD LYS A 1 -1.471 16.749 4.615 1.00 0.00 C ATOM 42 CE LYS A 1 -0.717 18.040 4.997 1.00 0.00 C ATOM 43 NZ LYS A 1 0.600 17.702 5.600 1.00 0.00 N ATOM 0 H1 LYS A 1 2.134 14.960 3.655 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.151 13.281 3.401 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.274 14.289 2.354 1.00 0.00 H new ATOM 0 HA LYS A 1 0.416 14.617 5.107 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.827 14.105 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.779 14.125 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.023 16.471 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.688 16.308 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -2.531 16.983 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.377 16.037 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.573 18.661 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.310 18.622 5.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.845 18.412 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.548 16.763 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.330 17.695 4.859 1.00 0.00 H new ATOM 57 N VAL A 2 -0.881 12.166 5.392 1.00 0.00 N ATOM 58 CA VAL A 2 -1.001 10.936 6.231 1.00 0.00 C ATOM 59 C VAL A 2 -1.024 9.648 5.336 1.00 0.00 C ATOM 60 O VAL A 2 -1.968 9.451 4.565 1.00 0.00 O ATOM 61 CB VAL A 2 -2.266 11.093 7.151 1.00 0.00 C ATOM 62 CG1 VAL A 2 -2.608 9.813 7.935 1.00 0.00 C ATOM 63 CG2 VAL A 2 -2.168 12.243 8.186 1.00 0.00 C ATOM 0 H VAL A 2 -1.754 12.685 5.296 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.130 10.816 6.876 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.051 11.324 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.491 9.988 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.808 9.001 7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.768 9.543 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.083 12.279 8.778 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.317 12.069 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.035 13.191 7.665 1.00 0.00 H new ATOM 73 N ASP A 3 -0.006 8.777 5.476 1.00 0.00 N ATOM 74 CA ASP A 3 0.068 7.472 4.762 1.00 0.00 C ATOM 75 C ASP A 3 -0.548 6.333 5.640 1.00 0.00 C ATOM 76 O ASP A 3 0.009 5.976 6.684 1.00 0.00 O ATOM 77 CB ASP A 3 1.569 7.240 4.421 1.00 0.00 C ATOM 78 CG ASP A 3 1.929 6.028 3.554 1.00 0.00 C ATOM 79 OD1 ASP A 3 1.452 4.905 3.822 1.00 0.00 O ATOM 80 OD2 ASP A 3 2.728 6.190 2.606 1.00 0.00 O ATOM 0 H ASP A 3 0.793 8.952 6.086 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.516 7.473 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.939 8.133 3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.116 7.154 5.360 1.00 0.00 H new ATOM 85 N ILE A 4 -1.672 5.742 5.195 1.00 0.00 N ATOM 86 CA ILE A 4 -2.178 4.447 5.744 1.00 0.00 C ATOM 87 C ILE A 4 -1.699 3.325 4.757 1.00 0.00 C ATOM 88 O ILE A 4 -2.286 3.173 3.682 1.00 0.00 O ATOM 89 CB ILE A 4 -3.746 4.397 5.969 1.00 0.00 C ATOM 90 CG1 ILE A 4 -4.533 5.710 6.272 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.128 3.311 7.009 1.00 0.00 C ATOM 92 CD1 ILE A 4 -4.245 6.418 7.605 1.00 0.00 C ATOM 0 H ILE A 4 -2.256 6.133 4.456 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.773 4.307 6.746 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.080 4.155 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.333 6.416 5.466 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.598 5.480 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.210 3.300 7.143 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.796 2.335 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.647 3.534 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.861 7.314 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.477 5.746 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.192 6.697 7.649 1.00 0.00 H new ATOM 104 N THR A 5 -0.658 2.541 5.095 1.00 0.00 N ATOM 105 CA THR A 5 -0.147 1.435 4.222 1.00 0.00 C ATOM 106 C THR A 5 -0.570 0.057 4.828 1.00 0.00 C ATOM 107 O THR A 5 0.001 -0.407 5.818 1.00 0.00 O ATOM 108 CB THR A 5 1.380 1.636 3.956 1.00 0.00 C ATOM 109 OG1 THR A 5 1.565 2.687 3.005 1.00 0.00 O ATOM 110 CG2 THR A 5 2.112 0.434 3.331 1.00 0.00 C ATOM 0 H THR A 5 -0.143 2.644 5.969 1.00 0.00 H new ATOM 0 HA THR A 5 -0.600 1.453 3.231 1.00 0.00 H new ATOM 0 HB THR A 5 1.790 1.827 4.948 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.108 3.496 3.318 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.164 0.682 3.190 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.028 -0.428 3.993 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.663 0.196 2.367 1.00 0.00 H new ATOM 118 N ILE A 6 -1.575 -0.595 4.212 1.00 0.00 N ATOM 119 CA ILE A 6 -2.240 -1.813 4.762 1.00 0.00 C ATOM 120 C ILE A 6 -1.804 -3.034 3.895 1.00 0.00 C ATOM 121 O ILE A 6 -2.278 -3.187 2.766 1.00 0.00 O ATOM 122 CB ILE A 6 -3.813 -1.677 4.773 1.00 0.00 C ATOM 123 CG1 ILE A 6 -4.390 -0.379 5.414 1.00 0.00 C ATOM 124 CG2 ILE A 6 -4.501 -2.899 5.442 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.502 0.797 4.431 1.00 0.00 C ATOM 0 H ILE A 6 -1.957 -0.298 3.314 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.933 -1.948 5.799 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.046 -1.626 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.377 -0.594 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.755 -0.084 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.582 -2.761 5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.243 -3.806 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.161 -2.988 6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.911 1.665 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.514 1.040 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.161 0.521 3.607 1.00 0.00 H new ATOM 137 N LYS A 7 -0.968 -3.933 4.435 1.00 0.00 N ATOM 138 CA LYS A 7 -0.651 -5.235 3.784 1.00 0.00 C ATOM 139 C LYS A 7 -1.621 -6.343 4.310 1.00 0.00 C ATOM 140 O LYS A 7 -1.465 -6.840 5.433 1.00 0.00 O ATOM 141 CB LYS A 7 0.840 -5.571 4.061 1.00 0.00 C ATOM 142 CG LYS A 7 1.895 -4.735 3.283 1.00 0.00 C ATOM 143 CD LYS A 7 2.591 -5.539 2.166 1.00 0.00 C ATOM 144 CE LYS A 7 3.777 -4.803 1.507 1.00 0.00 C ATOM 145 NZ LYS A 7 4.257 -5.639 0.376 1.00 0.00 N ATOM 0 H LYS A 7 -0.492 -3.791 5.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.795 -5.177 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.025 -5.447 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.001 -6.624 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.410 -3.862 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.647 -4.367 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.947 -6.482 2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.857 -5.784 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.467 -3.820 1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.577 -4.643 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.288 -5.538 0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.021 -6.636 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.798 -5.329 -0.504 1.00 0.00 H new ATOM 159 N ILE A 8 -2.620 -6.734 3.495 1.00 0.00 N ATOM 160 CA ILE A 8 -3.619 -7.784 3.878 1.00 0.00 C ATOM 161 C ILE A 8 -3.060 -9.176 3.428 1.00 0.00 C ATOM 162 O ILE A 8 -3.273 -9.602 2.287 1.00 0.00 O ATOM 163 CB ILE A 8 -5.068 -7.488 3.329 1.00 0.00 C ATOM 164 CG1 ILE A 8 -5.597 -6.061 3.671 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.092 -8.536 3.847 1.00 0.00 C ATOM 166 CD1 ILE A 8 -6.906 -5.634 2.981 1.00 0.00 C ATOM 0 H ILE A 8 -2.767 -6.345 2.563 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.746 -7.783 4.961 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.972 -7.552 2.245 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.743 -6.000 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.823 -5.338 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.081 -8.305 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.793 -9.531 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.121 -8.508 4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.172 -4.625 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.770 -5.651 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.704 -6.323 3.257 1.00 0.00 H new ATOM 178 N GLN A 9 -2.361 -9.884 4.334 1.00 0.00 N ATOM 179 CA GLN A 9 -1.815 -11.241 4.062 1.00 0.00 C ATOM 180 C GLN A 9 -2.803 -12.331 4.595 1.00 0.00 C ATOM 181 O GLN A 9 -2.710 -12.808 5.733 1.00 0.00 O ATOM 182 CB GLN A 9 -0.373 -11.281 4.637 1.00 0.00 C ATOM 183 CG GLN A 9 0.476 -12.473 4.129 1.00 0.00 C ATOM 184 CD GLN A 9 1.858 -12.616 4.772 1.00 0.00 C ATOM 185 OE1 GLN A 9 2.063 -13.456 5.642 1.00 0.00 O ATOM 186 NE2 GLN A 9 2.851 -11.847 4.383 1.00 0.00 N ATOM 0 H GLN A 9 -2.156 -9.541 5.272 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.732 -11.467 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.135 -10.351 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.428 -11.325 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.082 -13.394 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.604 -12.373 3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.698 -11.143 3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.774 -11.954 4.804 1.00 0.00 H new ATOM 195 N ARG A 10 -3.784 -12.708 3.752 1.00 0.00 N ATOM 196 CA ARG A 10 -4.842 -13.702 4.127 1.00 0.00 C ATOM 197 C ARG A 10 -4.400 -15.196 4.208 1.00 0.00 C ATOM 198 O ARG A 10 -4.662 -15.898 5.189 1.00 0.00 O ATOM 199 CB ARG A 10 -6.155 -13.436 3.329 1.00 0.00 C ATOM 200 CG ARG A 10 -6.269 -13.872 1.841 1.00 0.00 C ATOM 201 CD ARG A 10 -5.416 -13.062 0.843 1.00 0.00 C ATOM 202 NE ARG A 10 -5.732 -13.420 -0.572 1.00 0.00 N ATOM 203 CZ ARG A 10 -6.662 -12.848 -1.334 1.00 0.00 C ATOM 204 NH1 ARG A 10 -7.527 -11.971 -0.889 1.00 0.00 N ATOM 205 NH2 ARG A 10 -6.719 -13.193 -2.586 1.00 0.00 N ATOM 0 H ARG A 10 -3.877 -12.346 2.803 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.060 -13.518 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.966 -13.922 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.344 -12.363 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.985 -14.922 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.314 -13.802 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.590 -11.997 0.996 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.359 -13.243 1.037 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.186 -14.171 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.511 -11.691 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.216 -11.568 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.064 -13.882 -2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.419 -12.775 -3.199 1.00 0.00 H new ATOM 219 N ASP A 11 -3.694 -15.621 3.167 1.00 0.00 N ATOM 220 CA ASP A 11 -2.776 -16.788 3.217 1.00 0.00 C ATOM 221 C ASP A 11 -1.408 -16.336 2.597 1.00 0.00 C ATOM 222 O ASP A 11 -0.913 -15.253 2.930 1.00 0.00 O ATOM 223 CB ASP A 11 -3.549 -17.994 2.609 1.00 0.00 C ATOM 224 CG ASP A 11 -2.843 -19.321 2.837 1.00 0.00 C ATOM 225 OD1 ASP A 11 -1.930 -19.649 2.055 1.00 0.00 O ATOM 226 OD2 ASP A 11 -3.140 -19.998 3.844 1.00 0.00 O ATOM 0 H ASP A 11 -3.732 -15.173 2.251 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.484 -17.148 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.546 -18.038 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.677 -17.835 1.538 1.00 0.00 H new ATOM 231 N GLY A 12 -0.793 -17.102 1.681 1.00 0.00 N ATOM 232 CA GLY A 12 0.437 -16.658 0.949 1.00 0.00 C ATOM 233 C GLY A 12 0.277 -15.588 -0.168 1.00 0.00 C ATOM 234 O GLY A 12 0.897 -15.697 -1.227 1.00 0.00 O ATOM 0 H GLY A 12 -1.116 -18.034 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.141 -16.270 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.896 -17.540 0.503 1.00 0.00 H new ATOM 238 N GLN A 13 -0.541 -14.557 0.087 1.00 0.00 N ATOM 239 CA GLN A 13 -0.869 -13.475 -0.877 1.00 0.00 C ATOM 240 C GLN A 13 -1.072 -12.182 -0.039 1.00 0.00 C ATOM 241 O GLN A 13 -2.123 -12.002 0.590 1.00 0.00 O ATOM 242 CB GLN A 13 -2.171 -13.811 -1.658 1.00 0.00 C ATOM 243 CG GLN A 13 -2.029 -14.909 -2.737 1.00 0.00 C ATOM 244 CD GLN A 13 -3.340 -15.394 -3.364 1.00 0.00 C ATOM 245 OE1 GLN A 13 -4.456 -15.045 -2.974 1.00 0.00 O ATOM 246 NE2 GLN A 13 -3.227 -16.250 -4.350 1.00 0.00 N ATOM 0 H GLN A 13 -1.008 -14.441 0.987 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.071 -13.355 -1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.933 -14.123 -0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.534 -12.901 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.385 -14.532 -3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.520 -15.765 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.303 -16.538 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.063 -16.628 -4.795 1.00 0.00 H new ATOM 255 N GLU A 14 -0.074 -11.287 -0.031 1.00 0.00 N ATOM 256 CA GLU A 14 -0.191 -9.962 0.639 1.00 0.00 C ATOM 257 C GLU A 14 -0.648 -8.840 -0.340 1.00 0.00 C ATOM 258 O GLU A 14 0.020 -8.554 -1.337 1.00 0.00 O ATOM 259 CB GLU A 14 1.093 -9.621 1.436 1.00 0.00 C ATOM 260 CG GLU A 14 2.440 -9.549 0.674 1.00 0.00 C ATOM 261 CD GLU A 14 3.604 -9.088 1.533 1.00 0.00 C ATOM 262 OE1 GLU A 14 3.814 -9.643 2.632 1.00 0.00 O ATOM 263 OE2 GLU A 14 4.312 -8.148 1.110 1.00 0.00 O ATOM 0 H GLU A 14 0.829 -11.447 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.992 -10.028 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.935 -8.658 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.199 -10.364 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.669 -10.533 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.333 -8.870 -0.172 1.00 0.00 H new ATOM 270 N ILE A 15 -1.802 -8.214 -0.048 1.00 0.00 N ATOM 271 CA ILE A 15 -2.359 -7.109 -0.884 1.00 0.00 C ATOM 272 C ILE A 15 -2.025 -5.768 -0.151 1.00 0.00 C ATOM 273 O ILE A 15 -2.642 -5.445 0.871 1.00 0.00 O ATOM 274 CB ILE A 15 -3.893 -7.323 -1.187 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.234 -8.554 -2.086 1.00 0.00 C ATOM 276 CG2 ILE A 15 -4.529 -6.089 -1.889 1.00 0.00 C ATOM 277 CD1 ILE A 15 -4.172 -9.935 -1.412 1.00 0.00 C ATOM 0 H ILE A 15 -2.377 -8.448 0.762 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.903 -7.087 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.304 -7.491 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.238 -8.415 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.549 -8.557 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.585 -6.282 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.429 -5.214 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.019 -5.905 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.429 -10.706 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.164 -10.112 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.879 -9.967 -0.583 1.00 0.00 H new ATOM 289 N GLU A 16 -1.077 -4.985 -0.695 1.00 0.00 N ATOM 290 CA GLU A 16 -0.749 -3.625 -0.191 1.00 0.00 C ATOM 291 C GLU A 16 -1.714 -2.519 -0.731 1.00 0.00 C ATOM 292 O GLU A 16 -1.841 -2.291 -1.938 1.00 0.00 O ATOM 293 CB GLU A 16 0.747 -3.265 -0.410 1.00 0.00 C ATOM 294 CG GLU A 16 1.363 -3.418 -1.825 1.00 0.00 C ATOM 295 CD GLU A 16 1.793 -4.837 -2.168 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.929 -5.222 -1.814 1.00 0.00 O ATOM 297 OE2 GLU A 16 0.981 -5.583 -2.752 1.00 0.00 O ATOM 0 H GLU A 16 -0.513 -5.270 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.912 -3.657 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.883 -2.228 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.335 -3.879 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.636 -3.082 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.227 -2.759 -1.906 1.00 0.00 H new ATOM 304 N ILE A 17 -2.374 -1.819 0.202 1.00 0.00 N ATOM 305 CA ILE A 17 -3.270 -0.661 -0.105 1.00 0.00 C ATOM 306 C ILE A 17 -2.619 0.578 0.592 1.00 0.00 C ATOM 307 O ILE A 17 -2.682 0.692 1.821 1.00 0.00 O ATOM 308 CB ILE A 17 -4.758 -0.914 0.357 1.00 0.00 C ATOM 309 CG1 ILE A 17 -5.392 -2.225 -0.204 1.00 0.00 C ATOM 310 CG2 ILE A 17 -5.678 0.288 0.003 1.00 0.00 C ATOM 311 CD1 ILE A 17 -6.702 -2.673 0.471 1.00 0.00 C ATOM 0 H ILE A 17 -2.311 -2.029 1.198 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.353 -0.499 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.690 -1.029 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.581 -2.089 -1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.662 -3.029 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.695 0.079 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.311 1.186 0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.674 0.444 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.055 -3.593 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.523 -2.849 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.456 -1.894 0.355 1.00 0.00 H new ATOM 323 N ASP A 18 -1.999 1.496 -0.170 1.00 0.00 N ATOM 324 CA ASP A 18 -1.281 2.672 0.398 1.00 0.00 C ATOM 325 C ASP A 18 -2.056 4.020 0.198 1.00 0.00 C ATOM 326 O ASP A 18 -1.954 4.703 -0.825 1.00 0.00 O ATOM 327 CB ASP A 18 0.207 2.629 -0.030 1.00 0.00 C ATOM 328 CG ASP A 18 0.614 2.687 -1.505 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.147 2.249 -2.392 1.00 0.00 O ATOM 330 OD2 ASP A 18 1.737 3.175 -1.774 1.00 0.00 O ATOM 0 H ASP A 18 -1.976 1.453 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.260 2.612 1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.705 3.460 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.629 1.711 0.380 1.00 0.00 H new ATOM 335 N ILE A 19 -2.859 4.389 1.214 1.00 0.00 N ATOM 336 CA ILE A 19 -3.831 5.522 1.148 1.00 0.00 C ATOM 337 C ILE A 19 -3.132 6.807 1.699 1.00 0.00 C ATOM 338 O ILE A 19 -2.898 6.921 2.907 1.00 0.00 O ATOM 339 CB ILE A 19 -5.171 5.222 1.927 1.00 0.00 C ATOM 340 CG1 ILE A 19 -5.776 3.802 1.693 1.00 0.00 C ATOM 341 CG2 ILE A 19 -6.228 6.323 1.630 1.00 0.00 C ATOM 342 CD1 ILE A 19 -7.022 3.445 2.522 1.00 0.00 C ATOM 0 H ILE A 19 -2.859 3.912 2.116 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.122 5.669 0.108 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.895 5.236 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.030 3.708 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.003 3.062 1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.146 6.102 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.843 7.292 1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.437 6.348 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.349 2.436 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.779 3.495 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.822 4.151 2.299 1.00 0.00 H new ATOM 354 N ARG A 20 -2.822 7.776 0.824 1.00 0.00 N ATOM 355 CA ARG A 20 -2.119 9.032 1.223 1.00 0.00 C ATOM 356 C ARG A 20 -3.105 10.240 1.221 1.00 0.00 C ATOM 357 O ARG A 20 -3.800 10.473 0.229 1.00 0.00 O ATOM 358 CB ARG A 20 -0.871 9.233 0.320 1.00 0.00 C ATOM 359 CG ARG A 20 0.234 8.189 0.611 1.00 0.00 C ATOM 360 CD ARG A 20 1.517 8.332 -0.225 1.00 0.00 C ATOM 361 NE ARG A 20 2.383 7.170 0.114 1.00 0.00 N ATOM 362 CZ ARG A 20 2.395 6.010 -0.533 1.00 0.00 C ATOM 363 NH1 ARG A 20 1.954 5.830 -1.749 1.00 0.00 N ATOM 364 NH2 ARG A 20 2.843 4.972 0.100 1.00 0.00 N ATOM 0 H ARG A 20 -3.043 7.725 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.757 8.956 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.167 9.164 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.471 10.235 0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.500 8.252 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.178 7.194 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.285 8.344 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.023 9.270 0.001 1.00 0.00 H new ATOM 0 HE ARG A 20 3.018 7.273 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.565 6.615 -2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.999 4.905 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.171 5.063 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.868 4.064 -0.363 1.00 0.00 H new ATOM 378 N VAL A 21 -3.162 10.985 2.348 1.00 0.00 N ATOM 379 CA VAL A 21 -4.274 11.930 2.693 1.00 0.00 C ATOM 380 C VAL A 21 -5.376 11.128 3.452 1.00 0.00 C ATOM 381 O VAL A 21 -6.201 10.421 2.862 1.00 0.00 O ATOM 382 CB VAL A 21 -4.823 12.915 1.600 1.00 0.00 C ATOM 383 CG1 VAL A 21 -5.942 13.862 2.100 1.00 0.00 C ATOM 384 CG2 VAL A 21 -3.699 13.798 1.025 1.00 0.00 C ATOM 0 H VAL A 21 -2.432 10.954 3.060 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.816 12.684 3.334 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.244 12.258 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.264 14.508 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.788 13.272 2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.562 14.474 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.112 14.468 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.252 14.385 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.937 13.166 0.570 1.00 0.00 H new ATOM 394 N SER A 22 -5.376 11.247 4.786 1.00 0.00 N ATOM 395 CA SER A 22 -6.429 10.674 5.660 1.00 0.00 C ATOM 396 C SER A 22 -6.426 11.476 6.993 1.00 0.00 C ATOM 397 O SER A 22 -5.706 11.152 7.939 1.00 0.00 O ATOM 398 CB SER A 22 -6.227 9.149 5.815 1.00 0.00 C ATOM 399 OG SER A 22 -6.549 8.474 4.599 1.00 0.00 O ATOM 0 H SER A 22 -4.647 11.743 5.299 1.00 0.00 H new ATOM 0 HA SER A 22 -7.424 10.774 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.193 8.940 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.855 8.774 6.623 1.00 0.00 H new ATOM 0 HG SER A 22 -6.836 9.128 3.928 1.00 0.00 H new ATOM 405 N THR A 23 -7.205 12.572 7.028 1.00 0.00 N ATOM 406 CA THR A 23 -7.120 13.617 8.096 1.00 0.00 C ATOM 407 C THR A 23 -8.313 13.591 9.114 1.00 0.00 C ATOM 408 O THR A 23 -8.080 13.310 10.291 1.00 0.00 O ATOM 409 CB THR A 23 -6.778 14.995 7.440 1.00 0.00 C ATOM 410 OG1 THR A 23 -6.720 16.002 8.441 1.00 0.00 O ATOM 411 CG2 THR A 23 -7.702 15.521 6.323 1.00 0.00 C ATOM 0 H THR A 23 -7.915 12.770 6.323 1.00 0.00 H new ATOM 0 HA THR A 23 -6.291 13.387 8.766 1.00 0.00 H new ATOM 0 HB THR A 23 -5.826 14.788 6.951 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.504 16.863 8.026 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.334 16.484 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.713 14.812 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.713 15.639 6.713 1.00 0.00 H new ATOM 419 N GLY A 24 -9.566 13.861 8.692 1.00 0.00 N ATOM 420 CA GLY A 24 -10.751 13.848 9.603 1.00 0.00 C ATOM 421 C GLY A 24 -11.943 13.070 9.019 1.00 0.00 C ATOM 422 O GLY A 24 -12.051 11.860 9.228 1.00 0.00 O ATOM 0 H GLY A 24 -9.793 14.092 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.466 13.404 10.557 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.058 14.874 9.808 1.00 0.00 H new ATOM 426 N LYS A 25 -12.800 13.737 8.227 1.00 0.00 N ATOM 427 CA LYS A 25 -13.823 13.037 7.383 1.00 0.00 C ATOM 428 C LYS A 25 -13.234 12.026 6.326 1.00 0.00 C ATOM 429 O LYS A 25 -13.717 10.900 6.212 1.00 0.00 O ATOM 430 CB LYS A 25 -14.802 14.097 6.790 1.00 0.00 C ATOM 431 CG LYS A 25 -14.240 14.975 5.647 1.00 0.00 C ATOM 432 CD LYS A 25 -15.111 16.169 5.222 1.00 0.00 C ATOM 433 CE LYS A 25 -14.436 16.934 4.065 1.00 0.00 C ATOM 434 NZ LYS A 25 -15.245 18.127 3.699 1.00 0.00 N ATOM 0 H LYS A 25 -12.817 14.753 8.144 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.391 12.368 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.687 13.579 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.129 14.752 7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.264 15.353 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.077 14.341 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.095 15.818 4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.264 16.837 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.433 17.242 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.328 16.279 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.781 18.635 2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.194 17.824 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.326 18.757 4.522 1.00 0.00 H new ATOM 448 N GLU A 26 -12.150 12.396 5.616 1.00 0.00 N ATOM 449 CA GLU A 26 -11.329 11.463 4.792 1.00 0.00 C ATOM 450 C GLU A 26 -10.593 10.318 5.585 1.00 0.00 C ATOM 451 O GLU A 26 -10.484 9.207 5.059 1.00 0.00 O ATOM 452 CB GLU A 26 -10.354 12.320 3.929 1.00 0.00 C ATOM 453 CG GLU A 26 -10.953 13.075 2.703 1.00 0.00 C ATOM 454 CD GLU A 26 -12.011 14.146 2.959 1.00 0.00 C ATOM 455 OE1 GLU A 26 -11.728 15.133 3.669 1.00 0.00 O ATOM 456 OE2 GLU A 26 -13.152 13.991 2.468 1.00 0.00 O ATOM 0 H GLU A 26 -11.810 13.357 5.593 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.012 10.897 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.886 13.057 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.561 11.665 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.128 13.544 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.387 12.332 2.034 1.00 0.00 H new ATOM 463 N LEU A 27 -10.157 10.541 6.847 1.00 0.00 N ATOM 464 CA LEU A 27 -9.820 9.430 7.792 1.00 0.00 C ATOM 465 C LEU A 27 -10.996 8.440 8.090 1.00 0.00 C ATOM 466 O LEU A 27 -10.778 7.230 8.004 1.00 0.00 O ATOM 467 CB LEU A 27 -9.197 10.033 9.082 1.00 0.00 C ATOM 468 CG LEU A 27 -8.554 9.064 10.109 1.00 0.00 C ATOM 469 CD1 LEU A 27 -7.320 8.333 9.554 1.00 0.00 C ATOM 470 CD2 LEU A 27 -8.149 9.855 11.366 1.00 0.00 C ATOM 0 H LEU A 27 -10.028 11.473 7.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.086 8.795 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.435 10.751 8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.977 10.594 9.597 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.300 8.305 10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.915 7.670 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.606 7.747 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.562 9.063 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.696 9.179 12.091 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.431 10.628 11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.033 10.319 11.804 1.00 0.00 H new ATOM 482 N GLU A 28 -12.225 8.924 8.365 1.00 0.00 N ATOM 483 CA GLU A 28 -13.454 8.074 8.388 1.00 0.00 C ATOM 484 C GLU A 28 -13.752 7.294 7.060 1.00 0.00 C ATOM 485 O GLU A 28 -14.006 6.090 7.129 1.00 0.00 O ATOM 486 CB GLU A 28 -14.685 8.916 8.827 1.00 0.00 C ATOM 487 CG GLU A 28 -14.632 9.520 10.253 1.00 0.00 C ATOM 488 CD GLU A 28 -15.833 10.387 10.585 1.00 0.00 C ATOM 489 OE1 GLU A 28 -15.858 11.562 10.155 1.00 0.00 O ATOM 490 OE2 GLU A 28 -16.751 9.904 11.278 1.00 0.00 O ATOM 0 H GLU A 28 -12.403 9.906 8.577 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.252 7.296 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.813 9.731 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.573 8.287 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.565 8.711 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.724 10.115 10.354 1.00 0.00 H new ATOM 497 N ARG A 29 -13.666 7.926 5.864 1.00 0.00 N ATOM 498 CA ARG A 29 -13.707 7.203 4.553 1.00 0.00 C ATOM 499 C ARG A 29 -12.666 6.038 4.413 1.00 0.00 C ATOM 500 O ARG A 29 -13.059 4.902 4.133 1.00 0.00 O ATOM 501 CB ARG A 29 -13.535 8.166 3.338 1.00 0.00 C ATOM 502 CG ARG A 29 -14.479 9.381 3.181 1.00 0.00 C ATOM 503 CD ARG A 29 -14.134 10.196 1.912 1.00 0.00 C ATOM 504 NE ARG A 29 -14.498 11.633 2.039 1.00 0.00 N ATOM 505 CZ ARG A 29 -15.678 12.175 1.775 1.00 0.00 C ATOM 506 NH1 ARG A 29 -16.744 11.491 1.444 1.00 0.00 N ATOM 507 NH2 ARG A 29 -15.751 13.467 1.856 1.00 0.00 N ATOM 0 H ARG A 29 -13.567 8.937 5.772 1.00 0.00 H new ATOM 0 HA ARG A 29 -14.702 6.759 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.515 8.549 3.368 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.624 7.566 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.512 9.038 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.402 10.021 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.066 10.112 1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.655 9.767 1.056 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.765 12.265 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.697 10.474 1.376 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.622 11.975 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.926 14.009 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.634 13.941 1.664 1.00 0.00 H new ATOM 521 N ALA A 30 -11.362 6.311 4.632 1.00 0.00 N ATOM 522 CA ALA A 30 -10.313 5.263 4.684 1.00 0.00 C ATOM 523 C ALA A 30 -10.523 4.168 5.780 1.00 0.00 C ATOM 524 O ALA A 30 -10.639 2.990 5.439 1.00 0.00 O ATOM 525 CB ALA A 30 -8.965 6.005 4.802 1.00 0.00 C ATOM 0 H ALA A 30 -11.006 7.256 4.777 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.352 4.666 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.153 5.279 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.829 6.652 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.960 6.608 5.710 1.00 0.00 H new ATOM 531 N LEU A 31 -10.633 4.546 7.068 1.00 0.00 N ATOM 532 CA LEU A 31 -10.887 3.598 8.188 1.00 0.00 C ATOM 533 C LEU A 31 -12.200 2.747 8.091 1.00 0.00 C ATOM 534 O LEU A 31 -12.134 1.543 8.354 1.00 0.00 O ATOM 535 CB LEU A 31 -10.763 4.414 9.509 1.00 0.00 C ATOM 536 CG LEU A 31 -10.548 3.614 10.821 1.00 0.00 C ATOM 537 CD1 LEU A 31 -9.144 2.979 10.891 1.00 0.00 C ATOM 538 CD2 LEU A 31 -10.732 4.538 12.038 1.00 0.00 C ATOM 0 H LEU A 31 -10.549 5.517 7.369 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.136 2.809 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.932 5.111 9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.667 5.012 9.623 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.289 2.814 10.832 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.039 2.429 11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.011 2.296 10.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.388 3.762 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.579 3.968 12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.007 5.350 11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.741 4.951 12.032 1.00 0.00 H new ATOM 550 N GLN A 32 -13.364 3.316 7.694 1.00 0.00 N ATOM 551 CA GLN A 32 -14.607 2.526 7.481 1.00 0.00 C ATOM 552 C GLN A 32 -14.627 1.631 6.199 1.00 0.00 C ATOM 553 O GLN A 32 -15.071 0.485 6.298 1.00 0.00 O ATOM 554 CB GLN A 32 -15.839 3.468 7.581 1.00 0.00 C ATOM 555 CG GLN A 32 -17.102 2.852 8.228 1.00 0.00 C ATOM 556 CD GLN A 32 -17.798 1.695 7.491 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.154 1.772 6.319 1.00 0.00 O ATOM 558 NE2 GLN A 32 -18.035 0.591 8.159 1.00 0.00 N ATOM 0 H GLN A 32 -13.471 4.314 7.515 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.646 1.788 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.553 4.350 8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.096 3.808 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.830 2.499 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.832 3.650 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.745 0.512 9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.509 -0.189 7.704 1.00 0.00 H new ATOM 567 N GLU A 33 -14.133 2.081 5.024 1.00 0.00 N ATOM 568 CA GLU A 33 -13.918 1.172 3.855 1.00 0.00 C ATOM 569 C GLU A 33 -12.939 -0.026 4.123 1.00 0.00 C ATOM 570 O GLU A 33 -13.275 -1.172 3.809 1.00 0.00 O ATOM 571 CB GLU A 33 -13.556 2.020 2.604 1.00 0.00 C ATOM 572 CG GLU A 33 -13.632 1.283 1.236 1.00 0.00 C ATOM 573 CD GLU A 33 -14.994 0.699 0.889 1.00 0.00 C ATOM 574 OE1 GLU A 33 -15.975 1.460 0.740 1.00 0.00 O ATOM 575 OE2 GLU A 33 -15.135 -0.541 0.859 1.00 0.00 O ATOM 0 H GLU A 33 -13.876 3.053 4.852 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.859 0.657 3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.223 2.881 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.544 2.405 2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.342 1.980 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.898 0.477 1.234 1.00 0.00 H new ATOM 582 N LEU A 34 -11.792 0.216 4.783 1.00 0.00 N ATOM 583 CA LEU A 34 -10.915 -0.856 5.333 1.00 0.00 C ATOM 584 C LEU A 34 -11.592 -1.838 6.342 1.00 0.00 C ATOM 585 O LEU A 34 -11.505 -3.046 6.124 1.00 0.00 O ATOM 586 CB LEU A 34 -9.654 -0.204 5.963 1.00 0.00 C ATOM 587 CG LEU A 34 -8.697 0.533 4.995 1.00 0.00 C ATOM 588 CD1 LEU A 34 -7.733 1.408 5.809 1.00 0.00 C ATOM 589 CD2 LEU A 34 -7.945 -0.435 4.064 1.00 0.00 C ATOM 0 H LEU A 34 -11.439 1.157 4.955 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.654 -1.490 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.981 0.505 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.088 -0.982 6.475 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.290 1.170 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.056 1.930 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.302 2.137 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.155 0.780 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.287 0.131 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.352 -1.127 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.663 -0.996 3.465 1.00 0.00 H new ATOM 601 N GLU A 35 -12.273 -1.361 7.404 1.00 0.00 N ATOM 602 CA GLU A 35 -13.049 -2.250 8.320 1.00 0.00 C ATOM 603 C GLU A 35 -14.230 -3.055 7.675 1.00 0.00 C ATOM 604 O GLU A 35 -14.358 -4.257 7.916 1.00 0.00 O ATOM 605 CB GLU A 35 -13.407 -1.475 9.613 1.00 0.00 C ATOM 606 CG GLU A 35 -14.598 -0.481 9.629 1.00 0.00 C ATOM 607 CD GLU A 35 -15.758 -0.724 10.579 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.760 -1.698 11.361 1.00 0.00 O ATOM 609 OE2 GLU A 35 -16.673 0.123 10.602 1.00 0.00 O ATOM 0 H GLU A 35 -12.307 -0.373 7.655 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.390 -3.075 8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.595 -2.215 10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.519 -0.918 9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.196 0.508 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.005 -0.442 8.619 1.00 0.00 H new ATOM 616 N LYS A 36 -15.027 -2.418 6.797 1.00 0.00 N ATOM 617 CA LYS A 36 -16.018 -3.091 5.913 1.00 0.00 C ATOM 618 C LYS A 36 -15.428 -4.177 4.945 1.00 0.00 C ATOM 619 O LYS A 36 -15.935 -5.302 4.929 1.00 0.00 O ATOM 620 CB LYS A 36 -16.760 -1.916 5.213 1.00 0.00 C ATOM 621 CG LYS A 36 -17.977 -2.255 4.324 1.00 0.00 C ATOM 622 CD LYS A 36 -18.867 -1.024 3.995 1.00 0.00 C ATOM 623 CE LYS A 36 -18.196 0.193 3.314 1.00 0.00 C ATOM 624 NZ LYS A 36 -17.756 -0.125 1.929 1.00 0.00 N ATOM 0 H LYS A 36 -15.006 -1.406 6.674 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.703 -3.716 6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.093 -1.224 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.035 -1.382 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.624 -2.698 3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.584 -3.009 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.680 -1.361 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.319 -0.680 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.896 1.029 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.337 0.513 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.436 0.745 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.973 -0.809 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.551 -0.534 1.397 1.00 0.00 H new ATOM 638 N ALA A 37 -14.352 -3.876 4.190 1.00 0.00 N ATOM 639 CA ALA A 37 -13.579 -4.893 3.425 1.00 0.00 C ATOM 640 C ALA A 37 -12.872 -6.020 4.256 1.00 0.00 C ATOM 641 O ALA A 37 -12.957 -7.187 3.872 1.00 0.00 O ATOM 642 CB ALA A 37 -12.583 -4.108 2.547 1.00 0.00 C ATOM 0 H ALA A 37 -13.990 -2.928 4.089 1.00 0.00 H new ATOM 0 HA ALA A 37 -14.290 -5.476 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.986 -4.806 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.132 -3.447 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.926 -3.515 3.183 1.00 0.00 H new ATOM 648 N LEU A 38 -12.203 -5.698 5.381 1.00 0.00 N ATOM 649 CA LEU A 38 -11.590 -6.703 6.304 1.00 0.00 C ATOM 650 C LEU A 38 -12.636 -7.632 7.022 1.00 0.00 C ATOM 651 O LEU A 38 -12.490 -8.858 6.957 1.00 0.00 O ATOM 652 CB LEU A 38 -10.647 -5.919 7.270 1.00 0.00 C ATOM 653 CG LEU A 38 -9.501 -6.686 7.983 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.596 -5.682 8.724 1.00 0.00 C ATOM 655 CD2 LEU A 38 -9.967 -7.740 9.000 1.00 0.00 C ATOM 0 H LEU A 38 -12.066 -4.734 5.685 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.006 -7.427 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.196 -5.105 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.269 -5.464 8.041 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.974 -7.219 7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.791 -6.219 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.172 -4.978 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.185 -5.138 9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.098 -8.224 9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.555 -7.257 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.579 -8.488 8.495 1.00 0.00 H new ATOM 667 N ALA A 39 -13.695 -7.077 7.657 1.00 0.00 N ATOM 668 CA ALA A 39 -14.848 -7.871 8.170 1.00 0.00 C ATOM 669 C ALA A 39 -15.603 -8.748 7.119 1.00 0.00 C ATOM 670 O ALA A 39 -15.827 -9.933 7.379 1.00 0.00 O ATOM 671 CB ALA A 39 -15.809 -6.900 8.884 1.00 0.00 C ATOM 0 H ALA A 39 -13.779 -6.075 7.830 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.437 -8.614 8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.665 -7.454 9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.288 -6.414 9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.155 -6.145 8.178 1.00 0.00 H new ATOM 677 N ARG A 40 -15.935 -8.220 5.921 1.00 0.00 N ATOM 678 CA ARG A 40 -16.455 -9.046 4.788 1.00 0.00 C ATOM 679 C ARG A 40 -15.335 -9.797 3.964 1.00 0.00 C ATOM 680 O ARG A 40 -15.303 -9.764 2.731 1.00 0.00 O ATOM 681 CB ARG A 40 -17.355 -8.083 3.960 1.00 0.00 C ATOM 682 CG ARG A 40 -18.322 -8.774 2.970 1.00 0.00 C ATOM 683 CD ARG A 40 -19.225 -7.759 2.251 1.00 0.00 C ATOM 684 NE ARG A 40 -20.134 -8.484 1.323 1.00 0.00 N ATOM 685 CZ ARG A 40 -21.108 -7.927 0.604 1.00 0.00 C ATOM 686 NH1 ARG A 40 -21.386 -6.646 0.628 1.00 0.00 N ATOM 687 NH2 ARG A 40 -21.824 -8.696 -0.166 1.00 0.00 N ATOM 0 H ARG A 40 -15.855 -7.226 5.705 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.038 -9.894 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.940 -7.475 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.713 -7.402 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.748 -9.335 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.940 -9.493 3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.806 -7.192 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.618 -7.042 1.698 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.001 -9.491 1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.843 -6.017 1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.145 -6.278 0.054 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.632 -9.697 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.576 -8.297 -0.728 1.00 0.00 H new ATOM 701 N ALA A 41 -14.437 -10.511 4.669 1.00 0.00 N ATOM 702 CA ALA A 41 -13.282 -11.241 4.076 1.00 0.00 C ATOM 703 C ALA A 41 -12.672 -12.270 5.081 1.00 0.00 C ATOM 704 O ALA A 41 -12.632 -13.463 4.769 1.00 0.00 O ATOM 705 CB ALA A 41 -12.213 -10.264 3.533 1.00 0.00 C ATOM 0 H ALA A 41 -14.488 -10.603 5.684 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.659 -11.811 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.385 -10.831 3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.655 -9.633 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.845 -9.639 4.346 1.00 0.00 H new ATOM 711 N GLY A 42 -12.178 -11.829 6.261 1.00 0.00 N ATOM 712 CA GLY A 42 -11.537 -12.734 7.257 1.00 0.00 C ATOM 713 C GLY A 42 -10.038 -13.018 7.011 1.00 0.00 C ATOM 714 O GLY A 42 -9.666 -14.124 6.617 1.00 0.00 O ATOM 0 H GLY A 42 -12.209 -10.852 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.651 -12.297 8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.075 -13.682 7.263 1.00 0.00 H new ATOM 718 N ALA A 43 -9.180 -12.016 7.254 1.00 0.00 N ATOM 719 CA ALA A 43 -7.730 -12.108 6.948 1.00 0.00 C ATOM 720 C ALA A 43 -6.875 -12.639 8.142 1.00 0.00 C ATOM 721 O ALA A 43 -6.966 -12.125 9.263 1.00 0.00 O ATOM 722 CB ALA A 43 -7.303 -10.696 6.517 1.00 0.00 C ATOM 0 H ALA A 43 -9.460 -11.125 7.664 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.557 -12.840 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.240 -10.695 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.874 -10.395 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.492 -9.995 7.330 1.00 0.00 H new ATOM 728 N ARG A 44 -6.028 -13.657 7.892 1.00 0.00 N ATOM 729 CA ARG A 44 -5.201 -14.306 8.955 1.00 0.00 C ATOM 730 C ARG A 44 -4.082 -13.428 9.609 1.00 0.00 C ATOM 731 O ARG A 44 -3.986 -13.417 10.842 1.00 0.00 O ATOM 732 CB ARG A 44 -4.668 -15.650 8.388 1.00 0.00 C ATOM 733 CG ARG A 44 -4.069 -16.610 9.448 1.00 0.00 C ATOM 734 CD ARG A 44 -3.867 -18.058 8.960 1.00 0.00 C ATOM 735 NE ARG A 44 -2.756 -18.200 7.966 1.00 0.00 N ATOM 736 CZ ARG A 44 -2.859 -18.783 6.770 1.00 0.00 C ATOM 737 NH1 ARG A 44 -3.988 -19.137 6.221 1.00 0.00 N ATOM 738 NH2 ARG A 44 -1.782 -19.020 6.082 1.00 0.00 N ATOM 0 H ARG A 44 -5.891 -14.056 6.963 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.856 -14.474 9.810 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.483 -16.161 7.875 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.905 -15.436 7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.108 -16.214 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.724 -16.622 10.319 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.661 -18.698 9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.794 -18.415 8.512 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.845 -17.820 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.867 -18.972 6.711 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.992 -19.579 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.870 -18.761 6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.849 -19.465 5.167 1.00 0.00 H new ATOM 752 N ASN A 45 -3.238 -12.729 8.823 1.00 0.00 N ATOM 753 CA ASN A 45 -2.279 -11.727 9.368 1.00 0.00 C ATOM 754 C ASN A 45 -2.331 -10.383 8.572 1.00 0.00 C ATOM 755 O ASN A 45 -2.322 -10.368 7.339 1.00 0.00 O ATOM 756 CB ASN A 45 -0.866 -12.342 9.543 1.00 0.00 C ATOM 757 CG ASN A 45 0.033 -12.607 8.338 1.00 0.00 C ATOM 758 OD1 ASN A 45 1.007 -11.903 8.102 1.00 0.00 O ATOM 759 ND2 ASN A 45 -0.203 -13.650 7.584 1.00 0.00 N ATOM 0 H ASN A 45 -3.196 -12.835 7.809 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.589 -11.451 10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.313 -11.685 10.215 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.994 -13.293 10.061 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.422 -13.870 6.808 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.011 -14.243 7.772 1.00 0.00 H new ATOM 766 N VAL A 46 -2.425 -9.249 9.286 1.00 0.00 N ATOM 767 CA VAL A 46 -2.667 -7.910 8.650 1.00 0.00 C ATOM 768 C VAL A 46 -1.588 -6.902 9.175 1.00 0.00 C ATOM 769 O VAL A 46 -1.587 -6.532 10.353 1.00 0.00 O ATOM 770 CB VAL A 46 -4.156 -7.435 8.845 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.454 -6.074 8.176 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.210 -8.425 8.291 1.00 0.00 C ATOM 0 H VAL A 46 -2.340 -9.216 10.302 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.550 -7.975 7.568 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.241 -7.364 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.496 -5.805 8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.806 -5.309 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.270 -6.147 7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.210 -8.026 8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.054 -8.562 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.110 -9.385 8.798 1.00 0.00 H new ATOM 782 N GLN A 47 -0.671 -6.454 8.301 1.00 0.00 N ATOM 783 CA GLN A 47 0.434 -5.526 8.678 1.00 0.00 C ATOM 784 C GLN A 47 0.113 -4.068 8.215 1.00 0.00 C ATOM 785 O GLN A 47 0.192 -3.751 7.024 1.00 0.00 O ATOM 786 CB GLN A 47 1.745 -6.136 8.108 1.00 0.00 C ATOM 787 CG GLN A 47 3.032 -5.291 8.310 1.00 0.00 C ATOM 788 CD GLN A 47 4.335 -5.924 7.805 1.00 0.00 C ATOM 789 OE1 GLN A 47 5.271 -6.161 8.559 1.00 0.00 O ATOM 790 NE2 GLN A 47 4.482 -6.164 6.523 1.00 0.00 N ATOM 0 H GLN A 47 -0.665 -6.717 7.316 1.00 0.00 H new ATOM 0 HA GLN A 47 0.555 -5.429 9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.899 -7.112 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.609 -6.306 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.897 -4.333 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.142 -5.080 9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.716 -5.974 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.363 -6.541 6.172 1.00 0.00 H new ATOM 799 N ILE A 48 -0.224 -3.179 9.165 1.00 0.00 N ATOM 800 CA ILE A 48 -0.555 -1.751 8.871 1.00 0.00 C ATOM 801 C ILE A 48 0.665 -0.871 9.295 1.00 0.00 C ATOM 802 O ILE A 48 0.899 -0.688 10.493 1.00 0.00 O ATOM 803 CB ILE A 48 -1.898 -1.308 9.562 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.137 -2.144 9.123 1.00 0.00 C ATOM 805 CG2 ILE A 48 -2.221 0.194 9.313 1.00 0.00 C ATOM 806 CD1 ILE A 48 -4.288 -2.175 10.144 1.00 0.00 C ATOM 0 H ILE A 48 -0.278 -3.416 10.156 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.730 -1.621 7.803 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.718 -1.485 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.515 -1.742 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.816 -3.167 8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.156 0.452 9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.416 0.810 9.713 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.317 0.373 8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.106 -2.780 9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.933 -2.607 11.080 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.642 -1.160 10.324 1.00 0.00 H new ATOM 818 N THR A 49 1.388 -0.267 8.334 1.00 0.00 N ATOM 819 CA THR A 49 2.302 0.878 8.632 1.00 0.00 C ATOM 820 C THR A 49 1.489 2.198 8.471 1.00 0.00 C ATOM 821 O THR A 49 1.188 2.612 7.346 1.00 0.00 O ATOM 822 CB THR A 49 3.585 0.889 7.743 1.00 0.00 C ATOM 823 OG1 THR A 49 4.275 -0.352 7.787 1.00 0.00 O ATOM 824 CG2 THR A 49 4.620 1.946 8.177 1.00 0.00 C ATOM 0 H THR A 49 1.366 -0.541 7.352 1.00 0.00 H new ATOM 0 HA THR A 49 2.666 0.775 9.654 1.00 0.00 H new ATOM 0 HB THR A 49 3.206 1.110 6.745 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.070 -0.304 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.486 1.899 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.173 2.938 8.119 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.934 1.749 9.202 1.00 0.00 H new ATOM 832 N ILE A 50 1.151 2.867 9.586 1.00 0.00 N ATOM 833 CA ILE A 50 0.544 4.227 9.542 1.00 0.00 C ATOM 834 C ILE A 50 1.656 5.281 9.867 1.00 0.00 C ATOM 835 O ILE A 50 2.128 5.380 11.005 1.00 0.00 O ATOM 836 CB ILE A 50 -0.791 4.285 10.368 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.782 5.376 9.887 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.665 4.326 11.907 1.00 0.00 C ATOM 839 CD1 ILE A 50 -1.287 6.832 9.919 1.00 0.00 C ATOM 0 H ILE A 50 1.283 2.499 10.528 1.00 0.00 H new ATOM 0 HA ILE A 50 0.194 4.492 8.544 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.205 3.303 10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.075 5.140 8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.681 5.310 10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.659 4.364 12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.146 3.432 12.254 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.101 5.210 12.202 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.075 7.492 9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.025 7.105 10.941 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.409 6.932 9.281 1.00 0.00 H new ATOM 851 N SER A 51 2.099 6.052 8.854 1.00 0.00 N ATOM 852 CA SER A 51 3.127 7.111 9.052 1.00 0.00 C ATOM 853 C SER A 51 2.469 8.466 9.450 1.00 0.00 C ATOM 854 O SER A 51 1.814 9.129 8.634 1.00 0.00 O ATOM 855 CB SER A 51 4.012 7.225 7.794 1.00 0.00 C ATOM 856 OG SER A 51 5.189 7.974 8.094 1.00 0.00 O ATOM 0 H SER A 51 1.767 5.967 7.893 1.00 0.00 H new ATOM 0 HA SER A 51 3.774 6.832 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.284 6.231 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.457 7.710 6.991 1.00 0.00 H new ATOM 0 HG SER A 51 5.747 8.041 7.291 1.00 0.00 H new ATOM 862 N ALA A 52 2.640 8.859 10.721 1.00 0.00 N ATOM 863 CA ALA A 52 2.135 10.153 11.239 1.00 0.00 C ATOM 864 C ALA A 52 3.117 11.347 10.998 1.00 0.00 C ATOM 865 O ALA A 52 4.342 11.180 10.931 1.00 0.00 O ATOM 866 CB ALA A 52 1.871 9.907 12.737 1.00 0.00 C ATOM 0 H ALA A 52 3.128 8.298 11.420 1.00 0.00 H new ATOM 0 HA ALA A 52 1.233 10.458 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.493 10.821 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.133 9.113 12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.799 9.613 13.227 1.00 0.00 H new ATOM 872 N GLU A 53 2.569 12.572 10.910 1.00 0.00 N ATOM 873 CA GLU A 53 3.394 13.819 10.831 1.00 0.00 C ATOM 874 C GLU A 53 4.065 14.256 12.185 1.00 0.00 C ATOM 875 O GLU A 53 5.181 14.781 12.162 1.00 0.00 O ATOM 876 CB GLU A 53 2.559 14.962 10.186 1.00 0.00 C ATOM 877 CG GLU A 53 2.138 14.733 8.705 1.00 0.00 C ATOM 878 CD GLU A 53 1.405 15.886 8.037 1.00 0.00 C ATOM 879 OE1 GLU A 53 1.908 17.028 8.044 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.341 15.663 7.420 1.00 0.00 O ATOM 0 H GLU A 53 1.563 12.738 10.891 1.00 0.00 H new ATOM 0 HA GLU A 53 4.244 13.588 10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.659 15.111 10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.135 15.885 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.033 14.511 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.502 13.849 8.661 1.00 0.00 H new ATOM 887 N ASN A 54 3.418 14.043 13.350 1.00 0.00 N ATOM 888 CA ASN A 54 4.041 14.250 14.692 1.00 0.00 C ATOM 889 C ASN A 54 3.722 13.103 15.714 1.00 0.00 C ATOM 890 O ASN A 54 2.902 12.208 15.484 1.00 0.00 O ATOM 891 CB ASN A 54 3.714 15.681 15.216 1.00 0.00 C ATOM 892 CG ASN A 54 2.240 16.015 15.495 1.00 0.00 C ATOM 893 OD1 ASN A 54 1.574 15.396 16.319 1.00 0.00 O ATOM 894 ND2 ASN A 54 1.688 17.006 14.841 1.00 0.00 N ATOM 0 H ASN A 54 2.451 13.723 13.396 1.00 0.00 H new ATOM 0 HA ASN A 54 5.123 14.187 14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.275 15.838 16.137 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.090 16.400 14.488 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.715 17.256 15.019 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.231 17.528 14.153 1.00 0.00 H new ATOM 901 N ASP A 55 4.386 13.177 16.877 1.00 0.00 N ATOM 902 CA ASP A 55 4.227 12.203 17.998 1.00 0.00 C ATOM 903 C ASP A 55 2.823 12.192 18.711 1.00 0.00 C ATOM 904 O ASP A 55 2.320 11.117 19.051 1.00 0.00 O ATOM 905 CB ASP A 55 5.358 12.463 19.032 1.00 0.00 C ATOM 906 CG ASP A 55 6.788 12.236 18.537 1.00 0.00 C ATOM 907 OD1 ASP A 55 7.327 13.126 17.843 1.00 0.00 O ATOM 908 OD2 ASP A 55 7.371 11.174 18.838 1.00 0.00 O ATOM 0 H ASP A 55 5.058 13.917 17.080 1.00 0.00 H new ATOM 0 HA ASP A 55 4.297 11.212 17.550 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.275 13.493 19.380 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.188 11.820 19.896 1.00 0.00 H new ATOM 913 N GLU A 56 2.172 13.356 18.925 1.00 0.00 N ATOM 914 CA GLU A 56 0.757 13.428 19.408 1.00 0.00 C ATOM 915 C GLU A 56 -0.317 12.874 18.406 1.00 0.00 C ATOM 916 O GLU A 56 -1.213 12.135 18.832 1.00 0.00 O ATOM 917 CB GLU A 56 0.433 14.870 19.883 1.00 0.00 C ATOM 918 CG GLU A 56 1.181 15.326 21.164 1.00 0.00 C ATOM 919 CD GLU A 56 0.754 16.689 21.684 1.00 0.00 C ATOM 920 OE1 GLU A 56 1.297 17.708 21.210 1.00 0.00 O ATOM 921 OE2 GLU A 56 -0.112 16.741 22.581 1.00 0.00 O ATOM 0 H GLU A 56 2.599 14.270 18.772 1.00 0.00 H new ATOM 0 HA GLU A 56 0.689 12.745 20.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.671 15.563 19.076 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.640 14.944 20.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.022 14.585 21.947 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.251 15.347 20.958 1.00 0.00 H new ATOM 928 N GLN A 57 -0.197 13.135 17.083 1.00 0.00 N ATOM 929 CA GLN A 57 -0.849 12.299 16.026 1.00 0.00 C ATOM 930 C GLN A 57 -0.572 10.757 16.133 1.00 0.00 C ATOM 931 O GLN A 57 -1.525 9.974 16.106 1.00 0.00 O ATOM 932 CB GLN A 57 -0.442 12.796 14.611 1.00 0.00 C ATOM 933 CG GLN A 57 -1.001 14.160 14.141 1.00 0.00 C ATOM 934 CD GLN A 57 -0.639 14.512 12.688 1.00 0.00 C ATOM 935 OE1 GLN A 57 -0.143 13.712 11.897 1.00 0.00 O ATOM 936 NE2 GLN A 57 -0.896 15.730 12.283 1.00 0.00 N ATOM 0 H GLN A 57 0.344 13.917 16.714 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.919 12.426 16.193 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.646 12.848 14.574 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.750 12.040 13.888 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.086 14.152 14.244 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.624 14.943 14.799 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.307 16.405 12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.685 16.004 11.323 1.00 0.00 H new ATOM 945 N ALA A 58 0.698 10.326 16.281 1.00 0.00 N ATOM 946 CA ALA A 58 1.053 8.904 16.540 1.00 0.00 C ATOM 947 C ALA A 58 0.417 8.202 17.787 1.00 0.00 C ATOM 948 O ALA A 58 0.180 6.996 17.705 1.00 0.00 O ATOM 949 CB ALA A 58 2.590 8.811 16.569 1.00 0.00 C ATOM 0 H ALA A 58 1.506 10.946 16.226 1.00 0.00 H new ATOM 0 HA ALA A 58 0.604 8.336 15.725 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.889 7.780 16.757 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.992 9.136 15.610 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.978 9.451 17.361 1.00 0.00 H new ATOM 955 N LYS A 59 0.079 8.907 18.892 1.00 0.00 N ATOM 956 CA LYS A 59 -0.793 8.349 19.970 1.00 0.00 C ATOM 957 C LYS A 59 -2.229 7.958 19.477 1.00 0.00 C ATOM 958 O LYS A 59 -2.575 6.777 19.552 1.00 0.00 O ATOM 959 CB LYS A 59 -0.820 9.308 21.195 1.00 0.00 C ATOM 960 CG LYS A 59 -1.583 8.733 22.423 1.00 0.00 C ATOM 961 CD LYS A 59 -1.979 9.796 23.466 1.00 0.00 C ATOM 962 CE LYS A 59 -2.980 9.219 24.485 1.00 0.00 C ATOM 963 NZ LYS A 59 -3.361 10.264 25.470 1.00 0.00 N ATOM 0 H LYS A 59 0.393 9.862 19.067 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.347 7.406 20.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.204 9.536 21.489 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.284 10.249 20.898 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.483 8.227 22.075 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.960 7.979 22.905 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.089 10.151 23.985 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.420 10.657 22.964 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.868 8.853 23.968 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.537 8.366 25.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.036 9.867 26.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.512 10.593 25.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.801 11.065 24.974 1.00 0.00 H new ATOM 977 N GLU A 60 -3.051 8.907 18.983 1.00 0.00 N ATOM 978 CA GLU A 60 -4.381 8.576 18.388 1.00 0.00 C ATOM 979 C GLU A 60 -4.358 7.622 17.154 1.00 0.00 C ATOM 980 O GLU A 60 -5.221 6.754 17.066 1.00 0.00 O ATOM 981 CB GLU A 60 -5.193 9.874 18.120 1.00 0.00 C ATOM 982 CG GLU A 60 -6.040 10.361 19.326 1.00 0.00 C ATOM 983 CD GLU A 60 -7.237 9.487 19.701 1.00 0.00 C ATOM 984 OE1 GLU A 60 -8.046 9.107 18.828 1.00 0.00 O ATOM 985 OE2 GLU A 60 -7.382 9.153 20.893 1.00 0.00 O ATOM 0 H GLU A 60 -2.828 9.902 18.980 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.893 7.981 19.144 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.503 10.667 17.833 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.855 9.705 17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.387 10.440 20.195 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.403 11.365 19.108 1.00 0.00 H new ATOM 992 N LEU A 61 -3.382 7.710 16.240 1.00 0.00 N ATOM 993 CA LEU A 61 -3.195 6.712 15.141 1.00 0.00 C ATOM 994 C LEU A 61 -2.739 5.274 15.595 1.00 0.00 C ATOM 995 O LEU A 61 -3.214 4.285 15.029 1.00 0.00 O ATOM 996 CB LEU A 61 -2.279 7.378 14.075 1.00 0.00 C ATOM 997 CG LEU A 61 -2.862 8.640 13.366 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.756 9.467 12.694 1.00 0.00 C ATOM 999 CD2 LEU A 61 -3.958 8.295 12.344 1.00 0.00 C ATOM 0 H LEU A 61 -2.696 8.465 16.228 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.166 6.477 14.706 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.340 7.656 14.554 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.041 6.635 13.314 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.324 9.239 14.151 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.197 10.338 12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.038 9.794 13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.247 8.856 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.326 9.211 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.546 7.642 11.575 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.780 7.787 12.849 1.00 0.00 H new ATOM 1011 N LEU A 62 -1.908 5.135 16.650 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.785 3.877 17.454 1.00 0.00 C ATOM 1013 C LEU A 62 -3.115 3.383 18.108 1.00 0.00 C ATOM 1014 O LEU A 62 -3.504 2.228 17.886 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.619 4.094 18.470 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.346 3.011 19.548 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.003 1.643 18.949 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.786 3.461 20.485 1.00 0.00 C ATOM 0 H LEU A 62 -1.299 5.885 16.977 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.551 3.047 16.787 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.298 4.224 17.895 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.806 5.034 18.989 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.274 2.895 20.108 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.183 0.929 19.753 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.825 1.294 18.332 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.900 1.732 18.336 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.965 2.691 21.235 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.695 3.622 19.906 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.501 4.390 20.979 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.809 4.239 18.883 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.126 3.900 19.475 1.00 0.00 C ATOM 1032 C GLU A 63 -6.231 3.576 18.427 1.00 0.00 C ATOM 1033 O GLU A 63 -6.728 2.459 18.474 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.597 4.972 20.481 1.00 0.00 C ATOM 1035 CG GLU A 63 -4.850 5.028 21.836 1.00 0.00 C ATOM 1036 CD GLU A 63 -5.563 5.852 22.900 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -6.784 5.645 23.103 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -4.906 6.700 23.540 1.00 0.00 O ATOM 0 H GLU A 63 -3.481 5.176 19.117 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.961 2.971 20.021 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.510 5.948 20.004 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.656 4.808 20.682 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.715 4.012 22.207 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.855 5.444 21.675 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.586 4.457 17.473 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.548 4.159 16.361 1.00 0.00 C ATOM 1047 C LEU A 64 -7.412 2.780 15.633 1.00 0.00 C ATOM 1048 O LEU A 64 -8.439 2.165 15.340 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.515 5.329 15.333 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.187 6.663 15.754 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -7.713 7.804 14.839 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -9.725 6.587 15.708 1.00 0.00 C ATOM 0 H LEU A 64 -6.218 5.408 17.440 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.515 4.070 16.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.473 5.537 15.092 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.992 4.986 14.415 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.891 6.855 16.785 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.190 8.736 15.142 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.631 7.908 14.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.982 7.578 13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.146 7.546 16.011 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.048 6.354 14.693 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.071 5.808 16.387 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.186 2.264 15.405 1.00 0.00 N ATOM 1065 CA ILE A 65 -5.983 0.848 14.967 1.00 0.00 C ATOM 1066 C ILE A 65 -6.267 -0.174 16.130 1.00 0.00 C ATOM 1067 O ILE A 65 -7.155 -1.006 15.955 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.621 0.617 14.222 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.363 1.599 13.038 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.547 -0.833 13.672 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -2.905 1.655 12.554 1.00 0.00 C ATOM 0 H ILE A 65 -5.321 2.794 15.513 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.736 0.643 14.206 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.852 0.802 14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.998 1.311 12.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.669 2.600 13.341 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.597 -0.979 13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.625 -1.540 14.498 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.367 -0.999 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.822 2.363 11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.262 1.975 13.374 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.596 0.666 12.215 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.582 -0.152 17.293 1.00 0.00 N ATOM 1084 CA ALA A 66 -5.918 -1.049 18.447 1.00 0.00 C ATOM 1085 C ALA A 66 -7.400 -1.014 18.995 1.00 0.00 C ATOM 1086 O ALA A 66 -8.006 -2.061 19.234 1.00 0.00 O ATOM 1087 CB ALA A 66 -4.875 -0.752 19.541 1.00 0.00 C ATOM 0 H ALA A 66 -4.794 0.471 17.469 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.872 -2.076 18.084 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.071 -1.380 20.410 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.876 -0.963 19.159 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.939 0.297 19.829 1.00 0.00 H new ATOM 1093 N ARG A 67 -7.988 0.183 19.148 1.00 0.00 N ATOM 1094 CA ARG A 67 -9.457 0.442 19.282 1.00 0.00 C ATOM 1095 C ARG A 67 -10.374 -0.205 18.174 1.00 0.00 C ATOM 1096 O ARG A 67 -11.411 -0.786 18.510 1.00 0.00 O ATOM 1097 CB ARG A 67 -9.521 2.005 19.333 1.00 0.00 C ATOM 1098 CG ARG A 67 -10.796 2.752 19.782 1.00 0.00 C ATOM 1099 CD ARG A 67 -10.688 4.288 19.557 1.00 0.00 C ATOM 1100 NE ARG A 67 -9.712 4.976 20.466 1.00 0.00 N ATOM 1101 CZ ARG A 67 -9.263 6.233 20.325 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -9.627 7.026 19.353 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -8.408 6.715 21.185 1.00 0.00 N ATOM 0 H ARG A 67 -7.442 1.043 19.185 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.874 -0.041 20.166 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.715 2.332 19.990 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.281 2.363 18.332 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.654 2.366 19.232 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.978 2.553 20.838 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.397 4.473 18.523 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.673 4.734 19.695 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.359 4.442 21.260 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.288 6.699 18.648 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.251 7.973 19.299 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.084 6.137 21.960 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.064 7.670 21.082 1.00 0.00 H new ATOM 1117 N LEU A 68 -9.981 -0.166 16.880 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.591 -1.006 15.807 1.00 0.00 C ATOM 1119 C LEU A 68 -10.363 -2.553 15.947 1.00 0.00 C ATOM 1120 O LEU A 68 -11.327 -3.314 15.862 1.00 0.00 O ATOM 1121 CB LEU A 68 -10.091 -0.467 14.431 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.774 -1.068 13.173 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -12.239 -0.615 13.047 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -10.006 -0.695 11.895 1.00 0.00 C ATOM 0 H LEU A 68 -9.236 0.444 16.545 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.673 -0.910 15.899 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.232 0.614 14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.019 -0.650 14.360 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.759 -2.151 13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.681 -1.057 12.154 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.797 -0.938 13.926 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.279 0.472 12.971 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.507 -1.129 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.977 0.390 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.988 -1.081 11.956 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.117 -3.021 16.142 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.774 -4.468 16.319 1.00 0.00 C ATOM 1138 C LEU A 69 -9.465 -5.201 17.521 1.00 0.00 C ATOM 1139 O LEU A 69 -9.900 -6.347 17.370 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.230 -4.610 16.383 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.431 -4.151 15.134 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.929 -4.209 15.433 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.784 -4.954 13.871 1.00 0.00 C ATOM 0 H LEU A 69 -8.302 -2.409 16.184 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.184 -4.982 15.450 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.872 -4.042 17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.993 -5.657 16.572 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.715 -3.121 14.919 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.370 -3.886 14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.699 -3.551 16.271 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.648 -5.231 15.686 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.194 -4.588 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.564 -6.009 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.845 -4.835 13.649 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.616 -4.526 18.677 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.537 -4.955 19.771 1.00 0.00 C ATOM 1157 C GLN A 70 -12.057 -5.036 19.377 1.00 0.00 C ATOM 1158 O GLN A 70 -12.721 -6.003 19.752 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.325 -4.005 20.983 1.00 0.00 C ATOM 1160 CG GLN A 70 -8.948 -4.118 21.692 1.00 0.00 C ATOM 1161 CD GLN A 70 -8.696 -3.026 22.734 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -8.971 -3.175 23.919 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -8.170 -1.895 22.328 1.00 0.00 N ATOM 0 H GLN A 70 -9.108 -3.667 18.888 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.278 -5.984 20.018 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.455 -2.977 20.643 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.108 -4.200 21.716 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.879 -5.092 22.177 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.159 -4.079 20.941 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.939 -1.765 21.343 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.992 -1.146 22.997 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.600 -4.060 18.616 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.963 -4.154 18.011 1.00 0.00 C ATOM 1174 C LYS A 71 -14.157 -5.301 16.950 1.00 0.00 C ATOM 1175 O LYS A 71 -15.159 -6.015 17.011 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.320 -2.752 17.435 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.829 -2.535 17.150 1.00 0.00 C ATOM 1178 CD LYS A 71 -16.141 -1.412 16.135 1.00 0.00 C ATOM 1179 CE LYS A 71 -15.916 -1.849 14.674 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.356 -0.800 13.720 1.00 0.00 N ATOM 0 H LYS A 71 -12.117 -3.188 18.400 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.655 -4.444 18.801 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.983 -1.989 18.137 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.764 -2.602 16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.252 -3.469 16.779 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.333 -2.307 18.089 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.176 -1.093 16.259 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.513 -0.548 16.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.860 -2.066 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.463 -2.772 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.514 -1.226 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.241 -0.371 14.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.622 -0.067 13.647 1.00 0.00 H new ATOM 1194 N LEU A 72 -13.221 -5.477 15.995 1.00 0.00 N ATOM 1195 CA LEU A 72 -13.196 -6.646 15.058 1.00 0.00 C ATOM 1196 C LEU A 72 -13.059 -8.056 15.732 1.00 0.00 C ATOM 1197 O LEU A 72 -13.784 -8.979 15.355 1.00 0.00 O ATOM 1198 CB LEU A 72 -12.058 -6.409 14.007 1.00 0.00 C ATOM 1199 CG LEU A 72 -12.380 -5.645 12.694 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -13.172 -6.508 11.698 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -13.097 -4.302 12.904 1.00 0.00 C ATOM 0 H LEU A 72 -12.456 -4.819 15.842 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.177 -6.686 14.585 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.255 -5.871 14.510 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.661 -7.385 13.728 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.401 -5.418 12.271 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.373 -5.930 10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.590 -7.393 11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.115 -6.814 12.151 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.284 -3.834 11.937 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.045 -4.472 13.415 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.471 -3.646 13.509 1.00 0.00 H new ATOM 1213 N GLY A 73 -12.122 -8.223 16.682 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.848 -9.525 17.349 1.00 0.00 C ATOM 1215 C GLY A 73 -10.487 -10.174 17.016 1.00 0.00 C ATOM 1216 O GLY A 73 -10.436 -11.362 16.692 1.00 0.00 O ATOM 0 H GLY A 73 -11.528 -7.463 17.015 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.906 -9.379 18.428 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.639 -10.224 17.079 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.390 -9.414 17.152 1.00 0.00 N ATOM 1221 CA TYR A 74 -8.012 -9.914 16.908 1.00 0.00 C ATOM 1222 C TYR A 74 -7.178 -9.727 18.208 1.00 0.00 C ATOM 1223 O TYR A 74 -6.820 -8.603 18.579 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.387 -9.156 15.705 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.847 -9.616 14.311 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -7.211 -10.703 13.697 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.808 -8.893 13.603 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -7.487 -11.008 12.365 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -9.108 -9.227 12.283 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.434 -10.278 11.662 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.677 -10.573 10.344 1.00 0.00 O ATOM 0 H TYR A 74 -9.424 -8.434 17.434 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.025 -10.974 16.655 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.615 -8.095 15.810 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.303 -9.256 15.760 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.508 -11.304 14.255 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.322 -8.071 14.080 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.961 -11.816 11.878 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.861 -8.673 11.742 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.841 -10.842 9.909 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.859 -10.838 18.896 1.00 0.00 N ATOM 1242 CA LYS A 75 -6.053 -10.806 20.154 1.00 0.00 C ATOM 1243 C LYS A 75 -4.552 -10.355 20.021 1.00 0.00 C ATOM 1244 O LYS A 75 -4.046 -9.651 20.898 1.00 0.00 O ATOM 1245 CB LYS A 75 -6.236 -12.171 20.894 1.00 0.00 C ATOM 1246 CG LYS A 75 -5.323 -13.332 20.422 1.00 0.00 C ATOM 1247 CD LYS A 75 -5.576 -14.705 21.077 1.00 0.00 C ATOM 1248 CE LYS A 75 -4.374 -15.674 20.977 1.00 0.00 C ATOM 1249 NZ LYS A 75 -4.019 -15.998 19.564 1.00 0.00 N ATOM 0 H LYS A 75 -7.142 -11.775 18.611 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.452 -9.993 20.760 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.063 -12.010 21.958 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.274 -12.484 20.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.437 -13.441 19.343 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.286 -13.050 20.607 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.824 -14.556 22.128 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.444 -15.167 20.607 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.511 -15.230 21.473 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.609 -16.595 21.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.209 -16.650 19.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.832 -16.447 19.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.768 -15.124 19.060 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.840 -10.805 18.971 1.00 0.00 N ATOM 1264 CA ASP A 76 -2.360 -10.715 18.889 1.00 0.00 C ATOM 1265 C ASP A 76 -1.974 -9.425 18.100 1.00 0.00 C ATOM 1266 O ASP A 76 -2.034 -9.380 16.865 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.813 -11.996 18.206 1.00 0.00 C ATOM 1268 CG ASP A 76 -2.119 -13.355 18.840 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -1.813 -13.577 20.029 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -2.709 -14.220 18.155 1.00 0.00 O ATOM 0 H ASP A 76 -4.268 -11.241 18.154 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.917 -10.648 19.883 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.194 -12.014 17.185 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.729 -11.898 18.140 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.629 -8.358 18.839 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.420 -6.997 18.258 1.00 0.00 C ATOM 1277 C ILE A 77 0.091 -6.647 18.469 1.00 0.00 C ATOM 1278 O ILE A 77 0.497 -6.174 19.536 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.444 -5.966 18.872 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.944 -6.376 18.697 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.233 -4.542 18.293 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.984 -5.557 19.485 1.00 0.00 C ATOM 0 H ILE A 77 -1.485 -8.400 19.848 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.627 -6.958 17.188 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.232 -5.969 19.941 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.193 -6.311 17.638 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.046 -7.422 18.985 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.955 -3.858 18.738 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.223 -4.202 18.522 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.372 -4.564 17.212 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.983 -5.941 19.277 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.779 -5.639 20.552 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.927 -4.511 19.184 1.00 0.00 H new ATOM 1294 N ASN A 78 0.928 -6.895 17.446 1.00 0.00 N ATOM 1295 CA ASN A 78 2.405 -6.727 17.528 1.00 0.00 C ATOM 1296 C ASN A 78 2.821 -5.282 17.089 1.00 0.00 C ATOM 1297 O ASN A 78 2.738 -4.915 15.913 1.00 0.00 O ATOM 1298 CB ASN A 78 3.011 -7.883 16.683 1.00 0.00 C ATOM 1299 CG ASN A 78 4.539 -7.992 16.654 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.256 -7.530 17.535 1.00 0.00 O ATOM 1301 ND2 ASN A 78 5.093 -8.630 15.652 1.00 0.00 N ATOM 0 H ASN A 78 0.607 -7.219 16.534 1.00 0.00 H new ATOM 0 HA ASN A 78 2.794 -6.803 18.543 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.611 -8.824 17.059 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.659 -7.774 15.657 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.107 -8.736 15.613 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.510 -9.020 14.911 1.00 0.00 H new ATOM 1308 N VAL A 79 3.237 -4.456 18.062 1.00 0.00 N ATOM 1309 CA VAL A 79 3.402 -2.984 17.871 1.00 0.00 C ATOM 1310 C VAL A 79 4.921 -2.619 17.749 1.00 0.00 C ATOM 1311 O VAL A 79 5.687 -2.789 18.702 1.00 0.00 O ATOM 1312 CB VAL A 79 2.701 -2.208 19.049 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.825 -0.670 18.928 1.00 0.00 C ATOM 1314 CG2 VAL A 79 1.193 -2.521 19.216 1.00 0.00 C ATOM 0 H VAL A 79 3.470 -4.775 19.002 1.00 0.00 H new ATOM 0 HA VAL A 79 2.920 -2.681 16.942 1.00 0.00 H new ATOM 0 HB VAL A 79 3.245 -2.571 19.921 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.321 -0.197 19.771 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.878 -0.389 18.931 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.364 -0.340 17.997 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.792 -1.944 20.049 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.663 -2.255 18.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.062 -3.585 19.415 1.00 0.00 H new ATOM 1324 N ARG A 80 5.331 -2.016 16.616 1.00 0.00 N ATOM 1325 CA ARG A 80 6.612 -1.258 16.527 1.00 0.00 C ATOM 1326 C ARG A 80 6.305 0.237 16.190 1.00 0.00 C ATOM 1327 O ARG A 80 5.931 0.564 15.060 1.00 0.00 O ATOM 1328 CB ARG A 80 7.560 -1.949 15.505 1.00 0.00 C ATOM 1329 CG ARG A 80 8.922 -1.227 15.308 1.00 0.00 C ATOM 1330 CD ARG A 80 9.907 -1.987 14.404 1.00 0.00 C ATOM 1331 NE ARG A 80 11.088 -1.122 14.117 1.00 0.00 N ATOM 1332 CZ ARG A 80 12.241 -1.529 13.588 1.00 0.00 C ATOM 1333 NH1 ARG A 80 12.514 -2.780 13.314 1.00 0.00 N ATOM 1334 NH2 ARG A 80 13.146 -0.632 13.327 1.00 0.00 N ATOM 0 H ARG A 80 4.800 -2.034 15.746 1.00 0.00 H new ATOM 0 HA ARG A 80 7.137 -1.263 17.482 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.748 -2.971 15.835 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.053 -2.013 14.542 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.740 -0.240 14.882 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.384 -1.073 16.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.227 -2.908 14.891 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.417 -2.272 13.473 1.00 0.00 H new ATOM 0 HE ARG A 80 11.005 -0.131 14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.824 -3.506 13.506 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.417 -3.028 12.909 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.962 0.351 13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.039 -0.912 12.922 1.00 0.00 H new ATOM 1348 N VAL A 81 6.543 1.153 17.147 1.00 0.00 N ATOM 1349 CA VAL A 81 6.547 2.624 16.871 1.00 0.00 C ATOM 1350 C VAL A 81 8.011 3.029 16.480 1.00 0.00 C ATOM 1351 O VAL A 81 8.887 3.161 17.341 1.00 0.00 O ATOM 1352 CB VAL A 81 5.955 3.443 18.073 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.940 4.968 17.808 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.509 3.043 18.457 1.00 0.00 C ATOM 0 H VAL A 81 6.736 0.913 18.120 1.00 0.00 H new ATOM 0 HA VAL A 81 5.888 2.866 16.037 1.00 0.00 H new ATOM 0 HB VAL A 81 6.630 3.198 18.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.521 5.483 18.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.958 5.317 17.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.331 5.179 16.929 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.173 3.654 19.295 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.849 3.202 17.604 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.486 1.991 18.743 1.00 0.00 H new ATOM 1364 N ASN A 82 8.276 3.203 15.173 1.00 0.00 N ATOM 1365 CA ASN A 82 9.619 3.592 14.658 1.00 0.00 C ATOM 1366 C ASN A 82 9.669 5.140 14.408 1.00 0.00 C ATOM 1367 O ASN A 82 9.507 5.620 13.284 1.00 0.00 O ATOM 1368 CB ASN A 82 9.881 2.673 13.428 1.00 0.00 C ATOM 1369 CG ASN A 82 11.333 2.595 12.971 1.00 0.00 C ATOM 1370 OD1 ASN A 82 12.160 1.951 13.614 1.00 0.00 O ATOM 1371 ND2 ASN A 82 11.690 3.170 11.848 1.00 0.00 N ATOM 0 H ASN A 82 7.576 3.081 14.441 1.00 0.00 H new ATOM 0 HA ASN A 82 10.436 3.434 15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.538 1.666 13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.274 3.027 12.595 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.649 3.082 11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.009 3.706 11.310 1.00 0.00 H new ATOM 1378 N GLY A 83 9.839 5.926 15.493 1.00 0.00 N ATOM 1379 CA GLY A 83 9.652 7.406 15.453 1.00 0.00 C ATOM 1380 C GLY A 83 8.174 7.840 15.357 1.00 0.00 C ATOM 1381 O GLY A 83 7.413 7.659 16.311 1.00 0.00 O ATOM 0 H GLY A 83 10.105 5.568 16.410 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.093 7.844 16.349 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.197 7.810 14.599 1.00 0.00 H new ATOM 1385 N THR A 84 7.768 8.361 14.191 1.00 0.00 N ATOM 1386 CA THR A 84 6.316 8.559 13.854 1.00 0.00 C ATOM 1387 C THR A 84 5.678 7.429 12.953 1.00 0.00 C ATOM 1388 O THR A 84 4.459 7.439 12.750 1.00 0.00 O ATOM 1389 CB THR A 84 6.033 9.981 13.276 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.464 10.107 11.923 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.602 11.174 14.062 1.00 0.00 C ATOM 0 H THR A 84 8.408 8.658 13.455 1.00 0.00 H new ATOM 0 HA THR A 84 5.806 8.473 14.814 1.00 0.00 H new ATOM 0 HB THR A 84 4.948 10.041 13.362 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.682 10.169 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.336 12.103 13.557 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.186 11.177 15.070 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.687 11.089 14.117 1.00 0.00 H new ATOM 1399 N GLU A 85 6.455 6.440 12.449 1.00 0.00 N ATOM 1400 CA GLU A 85 5.917 5.211 11.805 1.00 0.00 C ATOM 1401 C GLU A 85 5.298 4.250 12.868 1.00 0.00 C ATOM 1402 O GLU A 85 6.003 3.545 13.601 1.00 0.00 O ATOM 1403 CB GLU A 85 7.049 4.446 11.077 1.00 0.00 C ATOM 1404 CG GLU A 85 7.720 5.055 9.830 1.00 0.00 C ATOM 1405 CD GLU A 85 8.785 4.105 9.292 1.00 0.00 C ATOM 1406 OE1 GLU A 85 9.915 4.099 9.831 1.00 0.00 O ATOM 1407 OE2 GLU A 85 8.479 3.325 8.365 1.00 0.00 O ATOM 0 H GLU A 85 7.474 6.469 12.476 1.00 0.00 H new ATOM 0 HA GLU A 85 5.150 5.524 11.096 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.835 4.260 11.808 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.648 3.475 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.971 5.247 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.171 6.015 10.082 1.00 0.00 H new ATOM 1414 N VAL A 86 3.969 4.198 12.930 1.00 0.00 N ATOM 1415 CA VAL A 86 3.240 3.292 13.859 1.00 0.00 C ATOM 1416 C VAL A 86 2.915 1.986 13.062 1.00 0.00 C ATOM 1417 O VAL A 86 1.985 1.949 12.249 1.00 0.00 O ATOM 1418 CB VAL A 86 2.021 4.073 14.443 1.00 0.00 C ATOM 1419 CG1 VAL A 86 1.032 3.185 15.213 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.411 5.242 15.380 1.00 0.00 C ATOM 0 H VAL A 86 3.358 4.772 12.349 1.00 0.00 H new ATOM 0 HA VAL A 86 3.813 2.977 14.731 1.00 0.00 H new ATOM 0 HB VAL A 86 1.545 4.469 13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.212 3.796 15.590 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.637 2.418 14.547 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.545 2.710 16.050 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.509 5.733 15.744 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.980 4.856 16.226 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.019 5.961 14.831 1.00 0.00 H new ATOM 1430 N LYS A 87 3.714 0.925 13.277 1.00 0.00 N ATOM 1431 CA LYS A 87 3.601 -0.338 12.506 1.00 0.00 C ATOM 1432 C LYS A 87 2.911 -1.443 13.365 1.00 0.00 C ATOM 1433 O LYS A 87 3.465 -1.926 14.359 1.00 0.00 O ATOM 1434 CB LYS A 87 5.001 -0.695 11.943 1.00 0.00 C ATOM 1435 CG LYS A 87 4.965 -1.795 10.856 1.00 0.00 C ATOM 1436 CD LYS A 87 6.275 -1.882 10.044 1.00 0.00 C ATOM 1437 CE LYS A 87 6.183 -2.938 8.928 1.00 0.00 C ATOM 1438 NZ LYS A 87 7.432 -2.951 8.121 1.00 0.00 N ATOM 0 H LYS A 87 4.451 0.913 13.982 1.00 0.00 H new ATOM 0 HA LYS A 87 2.945 -0.231 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.456 0.203 11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.640 -1.025 12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.772 -2.758 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.135 -1.600 10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.498 -0.909 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.101 -2.128 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.014 -3.923 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.329 -2.723 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.354 -3.669 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.577 -2.016 7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.240 -3.178 8.735 1.00 0.00 H new ATOM 1452 N ILE A 88 1.681 -1.806 12.968 1.00 0.00 N ATOM 1453 CA ILE A 88 0.789 -2.707 13.752 1.00 0.00 C ATOM 1454 C ILE A 88 0.656 -4.039 12.951 1.00 0.00 C ATOM 1455 O ILE A 88 -0.022 -4.092 11.917 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.605 -2.032 14.035 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.570 -0.580 14.601 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.506 -2.910 14.942 1.00 0.00 C ATOM 1459 CD1 ILE A 88 0.155 -0.389 15.941 1.00 0.00 C ATOM 0 H ILE A 88 1.266 -1.487 12.092 1.00 0.00 H new ATOM 0 HA ILE A 88 1.214 -2.912 14.734 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.031 -1.950 13.035 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.096 0.064 13.861 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.597 -0.233 14.715 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.457 -2.404 15.110 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.686 -3.869 14.457 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.009 -3.075 15.898 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.113 0.661 16.231 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.328 -0.997 16.706 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.196 -0.695 15.838 1.00 0.00 H new ATOM 1471 N GLU A 89 1.299 -5.110 13.440 1.00 0.00 N ATOM 1472 CA GLU A 89 1.209 -6.459 12.830 1.00 0.00 C ATOM 1473 C GLU A 89 0.169 -7.341 13.599 1.00 0.00 C ATOM 1474 O GLU A 89 0.301 -7.643 14.789 1.00 0.00 O ATOM 1475 CB GLU A 89 2.655 -7.010 12.722 1.00 0.00 C ATOM 1476 CG GLU A 89 2.793 -8.391 12.030 1.00 0.00 C ATOM 1477 CD GLU A 89 3.119 -9.545 12.958 1.00 0.00 C ATOM 1478 OE1 GLU A 89 2.216 -10.081 13.622 1.00 0.00 O ATOM 1479 OE2 GLU A 89 4.273 -10.017 12.946 1.00 0.00 O ATOM 0 H GLU A 89 1.896 -5.073 14.266 1.00 0.00 H new ATOM 0 HA GLU A 89 0.809 -6.448 11.816 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.261 -6.287 12.176 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.073 -7.083 13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.861 -8.615 11.511 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.573 -8.324 11.271 1.00 0.00 H new ATOM 1486 N VAL A 90 -0.905 -7.717 12.896 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.024 -8.526 13.459 1.00 0.00 C ATOM 1488 C VAL A 90 -1.766 -10.053 13.254 1.00 0.00 C ATOM 1489 O VAL A 90 -1.360 -10.485 12.172 1.00 0.00 O ATOM 1490 CB VAL A 90 -3.345 -8.039 12.759 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -4.565 -8.971 12.885 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -3.819 -6.663 13.260 1.00 0.00 C ATOM 0 H VAL A 90 -1.036 -7.474 11.914 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.109 -8.385 14.536 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.027 -8.014 11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.415 -8.530 12.364 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.330 -9.939 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -4.814 -9.104 13.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.735 -6.382 12.740 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.011 -6.713 14.332 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.047 -5.919 13.064 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.145 -10.875 14.251 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.366 -12.339 14.052 1.00 0.00 C ATOM 1504 C ARG A 91 -3.733 -12.788 14.688 1.00 0.00 C ATOM 1505 O ARG A 91 -4.247 -12.180 15.635 1.00 0.00 O ATOM 1506 CB ARG A 91 -1.188 -13.189 14.639 1.00 0.00 C ATOM 1507 CG ARG A 91 0.264 -12.812 14.259 1.00 0.00 C ATOM 1508 CD ARG A 91 0.665 -13.202 12.832 1.00 0.00 C ATOM 1509 NE ARG A 91 1.977 -12.570 12.545 1.00 0.00 N ATOM 1510 CZ ARG A 91 2.858 -12.955 11.625 1.00 0.00 C ATOM 1511 NH1 ARG A 91 2.688 -13.995 10.849 1.00 0.00 N ATOM 1512 NH2 ARG A 91 3.949 -12.262 11.486 1.00 0.00 N ATOM 0 H ARG A 91 -2.307 -10.559 15.207 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.402 -12.518 12.977 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.265 -13.153 15.726 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.349 -14.225 14.342 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.390 -11.736 14.378 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.947 -13.292 14.960 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.733 -14.286 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.086 -12.865 12.118 1.00 0.00 H new ATOM 0 HE ARG A 91 2.229 -11.759 13.110 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.843 -14.560 10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.400 -14.240 10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.113 -11.445 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.641 -12.535 10.788 1.00 0.00 H new ATOM 1526 N VAL A 92 -4.301 -13.916 14.210 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.453 -14.594 14.885 1.00 0.00 C ATOM 1528 C VAL A 92 -4.874 -15.477 16.020 1.00 0.00 C ATOM 1529 O VAL A 92 -5.491 -15.690 17.069 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.321 -15.400 13.853 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -7.485 -16.198 14.491 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.968 -14.499 12.777 1.00 0.00 C ATOM 0 H VAL A 92 -3.988 -14.384 13.360 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.136 -13.865 15.320 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.594 -16.084 13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.034 -16.726 13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.084 -16.919 15.204 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.157 -15.512 15.007 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.555 -15.113 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.618 -13.768 13.258 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.188 -13.980 12.220 1.00 0.00 H new