USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 596 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 3 GLN : amide:sc= -0.0237 K(o=2.3,f=-13!) USER MOD Set 1.2: B 115 GLN : amide:sc= 0.878 K(o=2.3,f=-18!) USER MOD Set 1.3: B 118 LYS NZ :NH3+ 142:sc= 1.48 (180deg=-0.0797) USER MOD Set 2.1: B 114 TYR OH : rot 131:sc= -0.288! USER MOD Set 2.2: B 123 ASN : amide:sc= -2.14! C(o=-2.4!,f=-9.7!) USER MOD Set 3.1: A 11 SER OG : rot -124:sc= 0.87 USER MOD Set 3.2: B 102 LYS NZ :NH3+ 156:sc= 0.432! (180deg=0) USER MOD Set 4.1: A 15 GLN : amide:sc= -0.772! C(o=-0.11!,f=-15!) USER MOD Set 4.2: A 18 LYS NZ :NH3+ -134:sc= 0.66 (180deg=0) USER MOD Set 5.1: A 14 TYR OH : rot 180:sc= -1.8! USER MOD Set 5.2: B 103 GLN : amide:sc= -0.0794 K(o=-1.9,f=-3.4!) USER MOD Set 6.1: A 13 SER OG : rot 130:sc= -0.303 USER MOD Set 6.2: B 133 GLN : amide:sc= 0 X(o=-0.3,f=-0.3) USER MOD Set 7.1: A 2 LYS NZ :NH3+ 176:sc= 1.47! (180deg=0.736) USER MOD Set 7.2: B 111 SER OG : rot 180:sc= 1.04 USER MOD Single : A 6 THR OG1 : rot -130:sc= -2.99! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.483 K(o=0.48,f=-12!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 29 SER OG : rot -83:sc= -0.152 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -70:sc= -4.23! USER MOD Single : A 32 MET CE :methyl -151:sc= -22.4! (180deg=-25.2!) USER MOD Single : A 33 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : A 34 ASN : amide:sc= -0.394! C(o=-0.39!,f=-13!) USER MOD Single : B 106 THR OG1 : rot 64:sc= -3.01! USER MOD Single : B 108 THR OG1 : rot 51:sc= 0.261 USER MOD Single : B 113 SER OG : rot 78:sc= 1.07 USER MOD Single : B 120 TYR OH : rot 180:sc= 0 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -140:sc= -1.29 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot -88:sc= -2.54! USER MOD Single : B 132 MET CE :methyl 151:sc= -15.1! (180deg=-17.9!) USER MOD Single : B 134 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.582 -14.249 -18.138 1.00 0.00 N ATOM 21 CA LYS A 2 -12.873 -13.036 -17.722 1.00 0.00 C ATOM 22 C LYS A 2 -11.612 -13.388 -16.918 1.00 0.00 C ATOM 23 O LYS A 2 -11.253 -14.563 -16.812 1.00 0.00 O ATOM 24 CB LYS A 2 -13.818 -12.146 -16.909 1.00 0.00 C ATOM 25 CG LYS A 2 -14.867 -11.439 -17.758 1.00 0.00 C ATOM 26 CD LYS A 2 -14.234 -10.423 -18.702 1.00 0.00 C ATOM 27 CE LYS A 2 -14.568 -10.716 -20.157 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.701 -9.942 -21.088 1.00 0.00 N ATOM 0 HA LYS A 2 -12.551 -12.489 -18.608 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.320 -12.755 -16.157 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.231 -11.399 -16.374 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.424 -12.176 -18.336 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.583 -10.936 -17.108 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.581 -9.422 -18.444 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.152 -10.429 -18.569 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.449 -11.782 -20.350 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.614 -10.473 -20.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.911 -10.218 -22.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.883 -8.925 -20.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.702 -10.142 -20.879 1.00 0.00 H new ATOM 42 N GLN A 3 -10.930 -12.381 -16.360 1.00 0.00 N ATOM 43 CA GLN A 3 -9.706 -12.634 -15.591 1.00 0.00 C ATOM 44 C GLN A 3 -9.891 -12.378 -14.106 1.00 0.00 C ATOM 45 O GLN A 3 -9.941 -11.233 -13.658 1.00 0.00 O ATOM 46 CB GLN A 3 -8.521 -11.800 -16.129 1.00 0.00 C ATOM 47 CG GLN A 3 -7.347 -11.688 -15.155 1.00 0.00 C ATOM 48 CD GLN A 3 -6.000 -12.012 -15.779 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.483 -11.263 -16.611 1.00 0.00 O ATOM 50 NE2 GLN A 3 -5.414 -13.122 -15.365 1.00 0.00 N ATOM 0 H GLN A 3 -11.199 -11.399 -16.424 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.478 -13.692 -15.718 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.168 -12.247 -17.058 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.875 -10.798 -16.372 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.316 -10.676 -14.752 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.519 -12.360 -14.314 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.875 -13.715 -14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.501 -13.385 -15.736 1.00 0.00 H new ATOM 59 N ARG A 4 -9.959 -13.458 -13.339 1.00 0.00 N ATOM 60 CA ARG A 4 -10.112 -13.336 -11.906 1.00 0.00 C ATOM 61 C ARG A 4 -8.785 -12.996 -11.265 1.00 0.00 C ATOM 62 O ARG A 4 -7.936 -13.864 -11.051 1.00 0.00 O ATOM 63 CB ARG A 4 -10.656 -14.618 -11.290 1.00 0.00 C ATOM 64 CG ARG A 4 -11.468 -14.363 -10.035 1.00 0.00 C ATOM 65 CD ARG A 4 -12.233 -15.603 -9.603 1.00 0.00 C ATOM 66 NE ARG A 4 -13.628 -15.579 -10.060 1.00 0.00 N ATOM 67 CZ ARG A 4 -14.044 -16.044 -11.238 1.00 0.00 C ATOM 68 NH1 ARG A 4 -13.190 -16.590 -12.088 1.00 0.00 N ATOM 69 NH2 ARG A 4 -15.321 -15.977 -11.559 1.00 0.00 N ATOM 0 H ARG A 4 -9.911 -14.416 -13.686 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.827 -12.535 -11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.278 -15.133 -12.022 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.826 -15.283 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.805 -14.045 -9.230 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.168 -13.547 -10.213 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.738 -16.490 -9.998 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.209 -15.683 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.327 -15.179 -9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.202 -16.659 -11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.520 -16.942 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.990 -15.569 -10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.640 -16.333 -12.460 1.00 0.00 H new ATOM 83 N ILE A 5 -8.634 -11.729 -10.918 1.00 0.00 N ATOM 84 CA ILE A 5 -7.441 -11.263 -10.250 1.00 0.00 C ATOM 85 C ILE A 5 -7.781 -11.062 -8.795 1.00 0.00 C ATOM 86 O ILE A 5 -8.808 -10.470 -8.477 1.00 0.00 O ATOM 87 CB ILE A 5 -6.903 -9.961 -10.864 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.852 -8.792 -10.589 1.00 0.00 C ATOM 89 CG2 ILE A 5 -6.706 -10.149 -12.354 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.150 -7.471 -10.418 1.00 0.00 C ATOM 0 H ILE A 5 -9.330 -11.004 -11.091 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.651 -12.005 -10.366 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.944 -9.724 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.563 -8.712 -11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.428 -9.007 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.324 -9.226 -12.790 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.992 -10.954 -12.528 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.659 -10.402 -12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.886 -6.690 -10.226 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.459 -7.532 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.596 -7.233 -11.326 1.00 0.00 H new ATOM 102 N THR A 6 -6.971 -11.607 -7.916 1.00 0.00 N ATOM 103 CA THR A 6 -7.258 -11.524 -6.496 1.00 0.00 C ATOM 104 C THR A 6 -6.038 -11.057 -5.699 1.00 0.00 C ATOM 105 O THR A 6 -4.967 -11.661 -5.765 1.00 0.00 O ATOM 106 CB THR A 6 -7.805 -12.894 -6.015 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.106 -13.373 -4.891 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.764 -13.995 -7.066 1.00 0.00 C ATOM 0 H THR A 6 -6.115 -12.109 -8.153 1.00 0.00 H new ATOM 0 HA THR A 6 -8.023 -10.768 -6.320 1.00 0.00 H new ATOM 0 HB THR A 6 -8.846 -12.680 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.832 -14.301 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.165 -14.916 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.364 -13.699 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.734 -14.159 -7.381 1.00 0.00 H new ATOM 116 N VAL A 7 -6.237 -9.993 -4.906 1.00 0.00 N ATOM 117 CA VAL A 7 -5.190 -9.448 -4.037 1.00 0.00 C ATOM 118 C VAL A 7 -5.438 -9.969 -2.633 1.00 0.00 C ATOM 119 O VAL A 7 -6.389 -9.547 -1.970 1.00 0.00 O ATOM 120 CB VAL A 7 -5.130 -7.867 -4.033 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.232 -7.261 -4.893 1.00 0.00 C ATOM 122 CG2 VAL A 7 -5.185 -7.265 -2.608 1.00 0.00 C ATOM 0 H VAL A 7 -7.123 -9.491 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.224 -9.775 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.162 -7.609 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.159 -6.174 -4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.123 -7.606 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.204 -7.569 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.140 -6.178 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.115 -7.563 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.339 -7.630 -2.026 1.00 0.00 H new ATOM 132 N THR A 8 -4.615 -10.906 -2.182 1.00 0.00 N ATOM 133 CA THR A 8 -4.788 -11.463 -0.854 1.00 0.00 C ATOM 134 C THR A 8 -4.424 -10.417 0.182 1.00 0.00 C ATOM 135 O THR A 8 -3.365 -10.473 0.805 1.00 0.00 O ATOM 136 CB THR A 8 -3.954 -12.726 -0.679 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.703 -12.610 -1.332 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.647 -13.956 -1.208 1.00 0.00 C ATOM 0 H THR A 8 -3.832 -11.290 -2.711 1.00 0.00 H new ATOM 0 HA THR A 8 -5.832 -11.745 -0.719 1.00 0.00 H new ATOM 0 HB THR A 8 -3.811 -12.836 0.396 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.188 -13.434 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.008 -14.826 -1.058 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.588 -14.100 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.846 -13.832 -2.272 1.00 0.00 H new ATOM 146 N VAL A 9 -5.317 -9.449 0.329 1.00 0.00 N ATOM 147 CA VAL A 9 -5.124 -8.353 1.258 1.00 0.00 C ATOM 148 C VAL A 9 -5.403 -8.818 2.706 1.00 0.00 C ATOM 149 O VAL A 9 -4.876 -9.864 3.086 1.00 0.00 O ATOM 150 CB VAL A 9 -5.949 -7.122 0.796 1.00 0.00 C ATOM 151 CG1 VAL A 9 -7.427 -7.444 0.677 1.00 0.00 C ATOM 152 CG2 VAL A 9 -5.698 -5.902 1.670 1.00 0.00 C ATOM 0 H VAL A 9 -6.192 -9.404 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.083 -8.028 1.260 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.599 -6.866 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.968 -6.555 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.568 -8.242 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.808 -7.766 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.297 -5.066 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.976 -6.129 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.642 -5.636 1.629 1.00 0.00 H new ATOM 162 N ASP A 10 -6.142 -8.045 3.536 1.00 0.00 N ATOM 163 CA ASP A 10 -6.374 -8.391 4.961 1.00 0.00 C ATOM 164 C ASP A 10 -5.245 -7.787 5.812 1.00 0.00 C ATOM 165 O ASP A 10 -5.292 -7.778 7.041 1.00 0.00 O ATOM 166 CB ASP A 10 -6.467 -9.906 5.180 1.00 0.00 C ATOM 167 CG ASP A 10 -6.493 -10.315 6.640 1.00 0.00 C ATOM 168 OD1 ASP A 10 -7.408 -9.877 7.368 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.594 -11.085 7.046 1.00 0.00 O ATOM 0 H ASP A 10 -6.589 -7.176 3.244 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.333 -7.973 5.266 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.367 -10.279 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.618 -10.386 4.693 1.00 0.00 H new ATOM 174 N SER A 11 -4.254 -7.240 5.115 1.00 0.00 N ATOM 175 CA SER A 11 -3.117 -6.580 5.737 1.00 0.00 C ATOM 176 C SER A 11 -2.880 -5.233 5.060 1.00 0.00 C ATOM 177 O SER A 11 -2.808 -4.208 5.731 1.00 0.00 O ATOM 178 CB SER A 11 -1.862 -7.456 5.652 1.00 0.00 C ATOM 179 OG SER A 11 -2.028 -8.677 6.375 1.00 0.00 O ATOM 0 H SER A 11 -4.219 -7.244 4.096 1.00 0.00 H new ATOM 0 HA SER A 11 -3.336 -6.418 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.641 -7.677 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.007 -6.909 6.050 1.00 0.00 H new ATOM 0 HG SER A 11 -1.310 -8.766 7.036 1.00 0.00 H new ATOM 185 N ASP A 12 -2.722 -5.258 3.727 1.00 0.00 N ATOM 186 CA ASP A 12 -2.456 -4.055 2.940 1.00 0.00 C ATOM 187 C ASP A 12 -3.386 -2.873 3.324 1.00 0.00 C ATOM 188 O ASP A 12 -3.057 -2.112 4.236 1.00 0.00 O ATOM 189 CB ASP A 12 -2.533 -4.396 1.443 1.00 0.00 C ATOM 190 CG ASP A 12 -1.944 -5.755 1.105 1.00 0.00 C ATOM 191 OD1 ASP A 12 -2.466 -6.771 1.615 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.963 -5.804 0.335 1.00 0.00 O ATOM 0 H ASP A 12 -2.776 -6.112 3.171 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.447 -3.711 3.168 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.575 -4.370 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.007 -3.628 0.875 1.00 0.00 H new ATOM 197 N SER A 13 -4.527 -2.690 2.633 1.00 0.00 N ATOM 198 CA SER A 13 -5.454 -1.573 2.944 1.00 0.00 C ATOM 199 C SER A 13 -6.703 -1.612 2.037 1.00 0.00 C ATOM 200 O SER A 13 -7.202 -0.581 1.589 1.00 0.00 O ATOM 201 CB SER A 13 -4.737 -0.227 2.783 1.00 0.00 C ATOM 202 OG SER A 13 -5.064 0.655 3.847 1.00 0.00 O ATOM 0 H SER A 13 -4.831 -3.289 1.865 1.00 0.00 H new ATOM 0 HA SER A 13 -5.779 -1.688 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.659 -0.386 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.016 0.226 1.832 1.00 0.00 H new ATOM 0 HG SER A 13 -4.241 1.026 4.229 1.00 0.00 H new ATOM 208 N TYR A 14 -7.181 -2.827 1.776 1.00 0.00 N ATOM 209 CA TYR A 14 -8.355 -3.081 0.921 1.00 0.00 C ATOM 210 C TYR A 14 -9.703 -2.939 1.644 1.00 0.00 C ATOM 211 O TYR A 14 -10.682 -2.474 1.057 1.00 0.00 O ATOM 212 CB TYR A 14 -8.260 -4.505 0.388 1.00 0.00 C ATOM 213 CG TYR A 14 -9.574 -5.247 0.406 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.976 -5.987 1.508 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.396 -5.205 -0.688 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.173 -6.665 1.510 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.597 -5.879 -0.712 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.986 -6.614 0.395 1.00 0.00 C ATOM 219 OH TYR A 14 -13.181 -7.297 0.391 1.00 0.00 O ATOM 0 H TYR A 14 -6.764 -3.678 2.153 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.334 -2.328 0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.883 -4.477 -0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.532 -5.058 0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.339 -6.032 2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.096 -4.630 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.475 -7.233 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.229 -5.835 -1.586 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.634 -7.158 -0.467 1.00 0.00 H new ATOM 229 N GLN A 15 -9.769 -3.453 2.874 1.00 0.00 N ATOM 230 CA GLN A 15 -11.027 -3.508 3.623 1.00 0.00 C ATOM 231 C GLN A 15 -11.806 -2.190 3.647 1.00 0.00 C ATOM 232 O GLN A 15 -13.025 -2.212 3.537 1.00 0.00 O ATOM 233 CB GLN A 15 -10.782 -4.022 5.046 1.00 0.00 C ATOM 234 CG GLN A 15 -10.209 -5.439 5.095 1.00 0.00 C ATOM 235 CD GLN A 15 -11.141 -6.438 5.757 1.00 0.00 C ATOM 236 OE1 GLN A 15 -12.101 -6.912 5.147 1.00 0.00 O ATOM 237 NE2 GLN A 15 -10.867 -6.768 7.010 1.00 0.00 N ATOM 0 H GLN A 15 -8.966 -3.837 3.373 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.663 -4.210 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.097 -3.344 5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.722 -4.000 5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.992 -5.772 4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.262 -5.423 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.063 -6.354 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.460 -7.436 7.503 1.00 0.00 H new ATOM 246 N LEU A 16 -11.143 -1.055 3.797 1.00 0.00 N ATOM 247 CA LEU A 16 -11.866 0.223 3.828 1.00 0.00 C ATOM 248 C LEU A 16 -12.700 0.448 2.556 1.00 0.00 C ATOM 249 O LEU A 16 -13.886 0.780 2.634 1.00 0.00 O ATOM 250 CB LEU A 16 -10.902 1.396 3.982 1.00 0.00 C ATOM 251 CG LEU A 16 -11.098 2.243 5.243 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.810 2.963 5.615 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.224 3.244 5.040 1.00 0.00 C ATOM 0 H LEU A 16 -10.131 -0.982 3.898 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.535 0.172 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.883 1.010 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.001 2.043 3.111 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.367 1.577 6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.972 3.558 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.025 2.231 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.509 3.616 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.350 3.838 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.980 3.902 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.150 2.711 4.823 1.00 0.00 H new ATOM 265 N LEU A 17 -12.055 0.315 1.395 1.00 0.00 N ATOM 266 CA LEU A 17 -12.762 0.573 0.133 1.00 0.00 C ATOM 267 C LEU A 17 -13.945 -0.368 -0.091 1.00 0.00 C ATOM 268 O LEU A 17 -14.992 0.044 -0.583 1.00 0.00 O ATOM 269 CB LEU A 17 -11.838 0.628 -1.076 1.00 0.00 C ATOM 270 CG LEU A 17 -11.980 1.935 -1.876 1.00 0.00 C ATOM 271 CD1 LEU A 17 -11.875 3.135 -0.955 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.952 2.047 -2.982 1.00 0.00 C ATOM 0 H LEU A 17 -11.078 0.040 1.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.178 1.575 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.805 0.521 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.052 -0.218 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.966 1.916 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.978 4.051 -1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.667 3.090 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.905 3.128 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.094 2.986 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.951 2.022 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.070 1.214 -3.674 1.00 0.00 H new ATOM 284 N LYS A 18 -13.805 -1.602 0.312 1.00 0.00 N ATOM 285 CA LYS A 18 -14.896 -2.576 0.191 1.00 0.00 C ATOM 286 C LYS A 18 -15.911 -2.395 1.320 1.00 0.00 C ATOM 287 O LYS A 18 -17.094 -2.700 1.176 1.00 0.00 O ATOM 288 CB LYS A 18 -14.334 -3.982 0.256 1.00 0.00 C ATOM 289 CG LYS A 18 -13.599 -4.174 1.549 1.00 0.00 C ATOM 290 CD LYS A 18 -14.148 -5.335 2.365 1.00 0.00 C ATOM 291 CE LYS A 18 -13.945 -5.109 3.852 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.375 -6.285 4.659 1.00 0.00 N ATOM 0 H LYS A 18 -12.952 -1.973 0.730 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.394 -2.415 -0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.141 -4.710 0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.662 -4.154 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.543 -4.348 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.661 -3.259 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.210 -5.459 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.654 -6.259 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.893 -4.901 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.507 -4.229 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.947 -5.962 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.942 -6.924 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.537 -6.790 5.010 1.00 0.00 H new ATOM 306 N ALA A 19 -15.404 -1.917 2.449 1.00 0.00 N ATOM 307 CA ALA A 19 -16.205 -1.697 3.650 1.00 0.00 C ATOM 308 C ALA A 19 -17.081 -0.462 3.527 1.00 0.00 C ATOM 309 O ALA A 19 -18.177 -0.430 4.085 1.00 0.00 O ATOM 310 CB ALA A 19 -15.308 -1.581 4.876 1.00 0.00 C ATOM 0 H ALA A 19 -14.421 -1.669 2.560 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.860 -2.560 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.922 -1.417 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.735 -2.501 4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.624 -0.742 4.748 1.00 0.00 H new ATOM 316 N TYR A 20 -16.611 0.553 2.800 1.00 0.00 N ATOM 317 CA TYR A 20 -17.402 1.756 2.646 1.00 0.00 C ATOM 318 C TYR A 20 -18.352 1.628 1.455 1.00 0.00 C ATOM 319 O TYR A 20 -19.519 1.981 1.604 1.00 0.00 O ATOM 320 CB TYR A 20 -16.531 3.035 2.605 1.00 0.00 C ATOM 321 CG TYR A 20 -15.984 3.443 1.253 1.00 0.00 C ATOM 322 CD1 TYR A 20 -15.378 2.527 0.428 1.00 0.00 C ATOM 323 CD2 TYR A 20 -16.054 4.763 0.820 1.00 0.00 C ATOM 324 CE1 TYR A 20 -14.859 2.895 -0.793 1.00 0.00 C ATOM 325 CE2 TYR A 20 -15.535 5.142 -0.399 1.00 0.00 C ATOM 326 CZ TYR A 20 -14.938 4.204 -1.202 1.00 0.00 C ATOM 327 OH TYR A 20 -14.417 4.577 -2.416 1.00 0.00 O ATOM 0 H TYR A 20 -15.709 0.561 2.323 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.022 1.868 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.123 3.862 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.690 2.896 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -15.307 1.497 0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -16.523 5.504 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.391 2.157 -1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.598 6.171 -0.720 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.558 5.537 -2.551 1.00 0.00 H new ATOM 337 N ASP A 21 -17.901 1.066 0.304 1.00 0.00 N ATOM 338 CA ASP A 21 -18.844 0.878 -0.836 1.00 0.00 C ATOM 339 C ASP A 21 -18.176 0.571 -2.178 1.00 0.00 C ATOM 340 O ASP A 21 -18.831 0.656 -3.219 1.00 0.00 O ATOM 341 CB ASP A 21 -19.727 2.128 -1.027 1.00 0.00 C ATOM 342 CG ASP A 21 -21.196 1.792 -1.210 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.696 0.879 -0.518 1.00 0.00 O ATOM 344 OD2 ASP A 21 -21.851 2.449 -2.045 1.00 0.00 O ATOM 0 H ASP A 21 -16.945 0.750 0.140 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.433 0.005 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.614 2.782 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.376 2.685 -1.896 1.00 0.00 H new ATOM 349 N VAL A 22 -16.894 0.254 -2.183 1.00 0.00 N ATOM 350 CA VAL A 22 -16.188 0.007 -3.425 1.00 0.00 C ATOM 351 C VAL A 22 -14.983 -0.872 -3.206 1.00 0.00 C ATOM 352 O VAL A 22 -13.878 -0.371 -3.023 1.00 0.00 O ATOM 353 CB VAL A 22 -15.721 1.361 -3.989 1.00 0.00 C ATOM 354 CG1 VAL A 22 -14.850 1.188 -5.225 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.903 2.264 -4.287 1.00 0.00 C ATOM 0 H VAL A 22 -16.323 0.162 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 22 -16.859 -0.502 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.111 1.837 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.541 2.167 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.968 0.601 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.417 0.672 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.544 3.214 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -17.551 1.785 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.464 2.443 -3.370 1.00 0.00 H new ATOM 365 N ASN A 23 -15.184 -2.183 -3.237 1.00 0.00 N ATOM 366 CA ASN A 23 -14.067 -3.097 -3.077 1.00 0.00 C ATOM 367 C ASN A 23 -13.071 -2.790 -4.200 1.00 0.00 C ATOM 368 O ASN A 23 -12.265 -1.871 -4.086 1.00 0.00 O ATOM 369 CB ASN A 23 -14.542 -4.565 -3.092 1.00 0.00 C ATOM 370 CG ASN A 23 -15.570 -4.859 -4.174 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.249 -4.854 -5.363 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.803 -5.120 -3.772 1.00 0.00 N ATOM 0 H ASN A 23 -16.092 -2.628 -3.369 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.583 -2.959 -2.110 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.680 -5.216 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.969 -4.810 -2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.530 -5.327 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -17.027 -5.114 -2.777 1.00 0.00 H new ATOM 379 N ILE A 24 -13.140 -3.512 -5.301 1.00 0.00 N ATOM 380 CA ILE A 24 -12.239 -3.211 -6.401 1.00 0.00 C ATOM 381 C ILE A 24 -12.769 -3.537 -7.779 1.00 0.00 C ATOM 382 O ILE A 24 -12.051 -3.319 -8.755 1.00 0.00 O ATOM 383 CB ILE A 24 -10.853 -3.840 -6.252 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.820 -4.817 -5.104 1.00 0.00 C ATOM 385 CG2 ILE A 24 -9.817 -2.752 -6.046 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.869 -5.885 -5.242 1.00 0.00 C ATOM 0 H ILE A 24 -13.786 -4.286 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.156 -2.127 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.623 -4.389 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.835 -5.281 -5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.970 -4.281 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.831 -3.204 -5.940 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.818 -2.081 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.056 -2.188 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.808 -6.566 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.856 -5.424 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.704 -6.440 -6.165 1.00 0.00 H new ATOM 398 N SER A 25 -13.985 -4.067 -7.883 1.00 0.00 N ATOM 399 CA SER A 25 -14.503 -4.408 -9.210 1.00 0.00 C ATOM 400 C SER A 25 -14.133 -3.290 -10.201 1.00 0.00 C ATOM 401 O SER A 25 -13.333 -3.488 -11.133 1.00 0.00 O ATOM 402 CB SER A 25 -16.016 -4.604 -9.175 1.00 0.00 C ATOM 403 OG SER A 25 -16.674 -3.441 -8.701 1.00 0.00 O ATOM 0 H SER A 25 -14.610 -4.264 -7.101 1.00 0.00 H new ATOM 0 HA SER A 25 -14.054 -5.347 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.377 -4.847 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.261 -5.450 -8.533 1.00 0.00 H new ATOM 0 HG SER A 25 -17.642 -3.594 -8.691 1.00 0.00 H new ATOM 409 N GLY A 26 -14.685 -2.100 -9.957 1.00 0.00 N ATOM 410 CA GLY A 26 -14.386 -0.946 -10.789 1.00 0.00 C ATOM 411 C GLY A 26 -13.145 -0.204 -10.315 1.00 0.00 C ATOM 412 O GLY A 26 -12.441 0.408 -11.118 1.00 0.00 O ATOM 0 H GLY A 26 -15.337 -1.916 -9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.242 -1.270 -11.820 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.238 -0.266 -10.785 1.00 0.00 H new ATOM 416 N LEU A 27 -12.867 -0.266 -9.006 1.00 0.00 N ATOM 417 CA LEU A 27 -11.703 0.392 -8.428 1.00 0.00 C ATOM 418 C LEU A 27 -10.424 -0.069 -9.115 1.00 0.00 C ATOM 419 O LEU A 27 -9.733 0.726 -9.737 1.00 0.00 O ATOM 420 CB LEU A 27 -11.626 0.063 -6.937 1.00 0.00 C ATOM 421 CG LEU A 27 -11.038 1.129 -6.022 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.783 0.584 -5.369 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.745 2.415 -6.776 1.00 0.00 C ATOM 0 H LEU A 27 -13.440 -0.770 -8.329 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.804 1.468 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.633 -0.164 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.036 -0.846 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.770 1.375 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.356 1.342 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.032 -0.303 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.057 0.321 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.327 3.152 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.030 2.214 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.668 2.803 -7.206 1.00 0.00 H new ATOM 435 N VAL A 28 -10.136 -1.371 -9.016 1.00 0.00 N ATOM 436 CA VAL A 28 -8.949 -1.943 -9.651 1.00 0.00 C ATOM 437 C VAL A 28 -8.908 -1.563 -11.128 1.00 0.00 C ATOM 438 O VAL A 28 -7.989 -0.890 -11.580 1.00 0.00 O ATOM 439 CB VAL A 28 -8.922 -3.484 -9.513 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.138 -4.125 -10.649 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.335 -3.893 -8.175 1.00 0.00 C ATOM 0 H VAL A 28 -10.707 -2.044 -8.504 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.074 -1.537 -9.144 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.951 -3.839 -9.567 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.137 -5.208 -10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.603 -3.870 -11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.112 -3.757 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.325 -4.980 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.316 -3.515 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.941 -3.478 -7.370 1.00 0.00 H new ATOM 451 N SER A 29 -9.921 -1.996 -11.863 1.00 0.00 N ATOM 452 CA SER A 29 -10.031 -1.718 -13.289 1.00 0.00 C ATOM 453 C SER A 29 -9.849 -0.231 -13.628 1.00 0.00 C ATOM 454 O SER A 29 -9.068 0.103 -14.521 1.00 0.00 O ATOM 455 CB SER A 29 -11.391 -2.193 -13.781 1.00 0.00 C ATOM 456 OG SER A 29 -12.426 -1.833 -12.878 1.00 0.00 O ATOM 0 H SER A 29 -10.691 -2.550 -11.489 1.00 0.00 H new ATOM 0 HA SER A 29 -9.225 -2.254 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.595 -1.762 -14.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.376 -3.276 -13.906 1.00 0.00 H new ATOM 0 HG SER A 29 -12.470 -2.490 -12.152 1.00 0.00 H new ATOM 462 N THR A 30 -10.543 0.660 -12.917 1.00 0.00 N ATOM 463 CA THR A 30 -10.416 2.092 -13.174 1.00 0.00 C ATOM 464 C THR A 30 -9.063 2.572 -12.706 1.00 0.00 C ATOM 465 O THR A 30 -8.323 3.225 -13.450 1.00 0.00 O ATOM 466 CB THR A 30 -11.523 2.882 -12.472 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.674 2.963 -13.291 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.121 4.298 -12.115 1.00 0.00 C ATOM 0 H THR A 30 -11.191 0.417 -12.168 1.00 0.00 H new ATOM 0 HA THR A 30 -10.513 2.258 -14.247 1.00 0.00 H new ATOM 0 HB THR A 30 -11.724 2.335 -11.551 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.372 3.470 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.953 4.799 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.262 4.274 -11.445 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.858 4.841 -13.023 1.00 0.00 H new ATOM 476 N THR A 31 -8.742 2.240 -11.461 1.00 0.00 N ATOM 477 CA THR A 31 -7.478 2.630 -10.884 1.00 0.00 C ATOM 478 C THR A 31 -6.331 2.186 -11.777 1.00 0.00 C ATOM 479 O THR A 31 -5.409 2.953 -12.046 1.00 0.00 O ATOM 480 CB THR A 31 -7.312 2.062 -9.480 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.050 2.834 -8.557 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.881 2.041 -9.008 1.00 0.00 C ATOM 0 H THR A 31 -9.345 1.702 -10.839 1.00 0.00 H new ATOM 0 HA THR A 31 -7.464 3.717 -10.807 1.00 0.00 H new ATOM 0 HB THR A 31 -7.672 1.035 -9.532 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.626 3.711 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.836 1.625 -8.002 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.285 1.426 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.486 3.057 -8.998 1.00 0.00 H new ATOM 490 N MET A 32 -6.411 0.946 -12.244 1.00 0.00 N ATOM 491 CA MET A 32 -5.400 0.389 -13.119 1.00 0.00 C ATOM 492 C MET A 32 -5.310 1.176 -14.418 1.00 0.00 C ATOM 493 O MET A 32 -4.224 1.569 -14.806 1.00 0.00 O ATOM 494 CB MET A 32 -5.692 -1.082 -13.383 1.00 0.00 C ATOM 495 CG MET A 32 -5.404 -1.952 -12.177 1.00 0.00 C ATOM 496 SD MET A 32 -4.920 -3.613 -12.627 1.00 0.00 S ATOM 497 CE MET A 32 -4.926 -4.363 -11.026 1.00 0.00 C ATOM 0 H MET A 32 -7.175 0.306 -12.026 1.00 0.00 H new ATOM 0 HA MET A 32 -4.431 0.464 -12.625 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.737 -1.197 -13.669 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.091 -1.424 -14.226 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.612 -1.495 -11.585 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.291 -1.995 -11.544 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.201 -5.177 -11.003 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.661 -3.619 -10.275 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.920 -4.756 -10.812 1.00 0.00 H new ATOM 507 N GLN A 33 -6.436 1.425 -15.086 1.00 0.00 N ATOM 508 CA GLN A 33 -6.409 2.203 -16.329 1.00 0.00 C ATOM 509 C GLN A 33 -5.765 3.569 -16.074 1.00 0.00 C ATOM 510 O GLN A 33 -4.919 4.026 -16.846 1.00 0.00 O ATOM 511 CB GLN A 33 -7.828 2.343 -16.912 1.00 0.00 C ATOM 512 CG GLN A 33 -8.378 3.769 -16.960 1.00 0.00 C ATOM 513 CD GLN A 33 -7.908 4.556 -18.173 1.00 0.00 C ATOM 514 OE1 GLN A 33 -7.139 4.064 -18.996 1.00 0.00 O ATOM 515 NE2 GLN A 33 -8.370 5.792 -18.290 1.00 0.00 N ATOM 0 H GLN A 33 -7.361 1.108 -14.797 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.805 1.677 -17.068 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.829 1.937 -17.923 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.508 1.729 -16.321 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.467 3.731 -16.961 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.078 4.297 -16.055 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.007 6.167 -17.587 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.089 6.369 -19.083 1.00 0.00 H new ATOM 524 N ASN A 34 -6.144 4.199 -14.961 1.00 0.00 N ATOM 525 CA ASN A 34 -5.579 5.491 -14.579 1.00 0.00 C ATOM 526 C ASN A 34 -4.094 5.318 -14.253 1.00 0.00 C ATOM 527 O ASN A 34 -3.244 6.057 -14.760 1.00 0.00 O ATOM 528 CB ASN A 34 -6.371 6.075 -13.392 1.00 0.00 C ATOM 529 CG ASN A 34 -5.507 6.481 -12.217 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.926 7.559 -12.209 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.423 5.622 -11.217 1.00 0.00 N ATOM 0 H ASN A 34 -6.839 3.835 -14.310 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.659 6.199 -15.404 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.932 6.944 -13.735 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.100 5.337 -13.056 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.858 5.846 -10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.923 4.734 -11.264 1.00 0.00 H new ATOM 538 N GLU A 35 -3.791 4.308 -13.439 1.00 0.00 N ATOM 539 CA GLU A 35 -2.414 3.995 -13.078 1.00 0.00 C ATOM 540 C GLU A 35 -1.637 3.560 -14.320 1.00 0.00 C ATOM 541 O GLU A 35 -0.439 3.799 -14.423 1.00 0.00 O ATOM 542 CB GLU A 35 -2.382 2.897 -12.016 1.00 0.00 C ATOM 543 CG GLU A 35 -1.016 2.716 -11.371 1.00 0.00 C ATOM 544 CD GLU A 35 -0.771 3.692 -10.239 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.380 4.845 -10.522 1.00 0.00 O ATOM 546 OE2 GLU A 35 -0.971 3.303 -9.070 1.00 0.00 O ATOM 0 H GLU A 35 -4.485 3.692 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.944 4.887 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.113 3.130 -11.241 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.688 1.955 -12.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.929 1.698 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.242 2.842 -12.128 1.00 0.00 H new ATOM 553 N ALA A 36 -2.339 2.952 -15.278 1.00 0.00 N ATOM 554 CA ALA A 36 -1.742 2.523 -16.533 1.00 0.00 C ATOM 555 C ALA A 36 -1.385 3.754 -17.348 1.00 0.00 C ATOM 556 O ALA A 36 -0.252 3.910 -17.802 1.00 0.00 O ATOM 557 CB ALA A 36 -2.716 1.634 -17.296 1.00 0.00 C ATOM 0 H ALA A 36 -3.335 2.746 -15.201 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.839 1.944 -16.340 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.261 1.317 -18.234 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.956 0.757 -16.695 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.629 2.191 -17.505 1.00 0.00 H new ATOM 563 N ARG A 37 -2.353 4.659 -17.475 1.00 0.00 N ATOM 564 CA ARG A 37 -2.128 5.915 -18.172 1.00 0.00 C ATOM 565 C ARG A 37 -0.950 6.621 -17.545 1.00 0.00 C ATOM 566 O ARG A 37 -0.019 7.056 -18.224 1.00 0.00 O ATOM 567 CB ARG A 37 -3.326 6.833 -18.033 1.00 0.00 C ATOM 568 CG ARG A 37 -3.979 7.195 -19.349 1.00 0.00 C ATOM 569 CD ARG A 37 -2.977 7.796 -20.323 1.00 0.00 C ATOM 570 NE ARG A 37 -3.553 7.980 -21.658 1.00 0.00 N ATOM 571 CZ ARG A 37 -2.843 8.247 -22.750 1.00 0.00 C ATOM 572 NH1 ARG A 37 -1.530 8.362 -22.686 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.452 8.395 -23.909 1.00 0.00 N ATOM 0 H ARG A 37 -3.296 4.543 -17.104 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.952 5.692 -19.224 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.066 6.354 -17.392 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.013 7.748 -17.530 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.428 6.305 -19.790 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.787 7.905 -19.172 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.632 8.757 -19.941 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.104 7.148 -20.391 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.565 7.898 -21.756 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.051 8.246 -21.793 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.994 8.567 -23.529 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.466 8.305 -23.967 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.909 8.600 -24.748 1.00 0.00 H new ATOM 587 N ARG A 38 -1.036 6.744 -16.225 1.00 0.00 N ATOM 588 CA ARG A 38 -0.010 7.411 -15.451 1.00 0.00 C ATOM 589 C ARG A 38 1.337 6.675 -15.552 1.00 0.00 C ATOM 590 O ARG A 38 2.324 7.257 -15.984 1.00 0.00 O ATOM 591 CB ARG A 38 -0.441 7.521 -13.983 1.00 0.00 C ATOM 592 CG ARG A 38 -0.722 8.943 -13.527 1.00 0.00 C ATOM 593 CD ARG A 38 -1.434 8.959 -12.184 1.00 0.00 C ATOM 594 NE ARG A 38 -2.892 9.007 -12.339 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.585 10.098 -12.629 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.978 11.256 -12.807 1.00 0.00 N ATOM 597 NH2 ARG A 38 -4.892 10.019 -12.745 1.00 0.00 N ATOM 0 H ARG A 38 -1.814 6.386 -15.671 1.00 0.00 H new ATOM 0 HA ARG A 38 0.121 8.412 -15.863 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.336 6.918 -13.832 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.340 7.096 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.215 9.495 -13.452 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.333 9.452 -14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.158 8.070 -11.616 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.102 9.822 -11.607 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.410 8.137 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.963 11.318 -12.722 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.523 12.089 -13.030 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.363 9.124 -12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.436 10.853 -12.968 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.041 -14.087 5.053 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.139 -13.033 4.038 1.00 0.00 C ATOM 1186 C LYS B 102 -6.554 -12.949 3.466 1.00 0.00 C ATOM 1187 O LYS B 102 -7.282 -13.946 3.427 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.129 -13.277 2.911 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.677 -13.292 3.377 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.042 -11.911 3.280 1.00 0.00 C ATOM 1191 CE LYS B 102 -2.503 -10.997 4.403 1.00 0.00 C ATOM 1192 NZ LYS B 102 -1.395 -10.678 5.347 1.00 0.00 N ATOM 0 HA LYS B 102 -4.908 -12.083 4.520 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.357 -14.229 2.432 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.250 -12.502 2.154 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.629 -13.644 4.408 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -2.108 -13.998 2.772 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -0.957 -12.007 3.312 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.294 -11.462 2.319 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.898 -10.073 3.981 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -3.319 -11.473 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -1.600 -9.782 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -1.307 -11.440 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.504 -10.589 4.819 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.939 -11.761 3.017 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.267 -11.560 2.457 1.00 0.00 C ATOM 1208 C GLN B 103 -8.226 -11.557 0.948 1.00 0.00 C ATOM 1209 O GLN B 103 -7.690 -10.643 0.320 1.00 0.00 O ATOM 1210 CB GLN B 103 -8.893 -10.259 2.982 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.174 -9.849 2.261 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.435 -10.257 3.002 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.388 -10.982 3.991 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.578 -9.793 2.522 1.00 0.00 N ATOM 0 H GLN B 103 -6.353 -10.926 3.030 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.892 -12.394 2.777 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.108 -10.375 4.044 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.163 -9.454 2.890 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.175 -8.768 2.123 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.183 -10.297 1.267 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.579 -9.192 1.698 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.458 -10.036 2.977 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.781 -12.607 0.371 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.792 -12.746 -1.063 1.00 0.00 C ATOM 1225 C ARG B 104 -9.872 -11.913 -1.713 1.00 0.00 C ATOM 1226 O ARG B 104 -11.042 -12.296 -1.760 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.959 -14.194 -1.470 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.062 -14.569 -2.626 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.006 -16.062 -2.806 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.648 -16.577 -2.644 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.044 -16.773 -1.481 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.655 -16.506 -0.346 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.817 -17.242 -1.460 1.00 0.00 N ATOM 0 H ARG B 104 -9.228 -13.372 0.877 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.826 -12.381 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.738 -14.837 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.998 -14.375 -1.745 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.428 -14.103 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.058 -14.183 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.665 -16.541 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.378 -16.323 -3.797 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.125 -16.803 -3.490 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.608 -16.142 -0.353 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.175 -16.663 0.541 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.336 -17.452 -2.335 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.345 -17.396 -0.569 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.447 -10.793 -2.255 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.337 -9.909 -2.968 1.00 0.00 C ATOM 1249 C ILE B 105 -10.004 -10.023 -4.437 1.00 0.00 C ATOM 1250 O ILE B 105 -8.852 -9.830 -4.832 1.00 0.00 O ATOM 1251 CB ILE B 105 -10.204 -8.449 -2.496 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.002 -7.772 -3.159 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -10.077 -8.415 -0.982 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.951 -6.277 -2.948 1.00 0.00 C ATOM 0 H ILE B 105 -8.480 -10.472 -2.213 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.370 -10.200 -2.776 1.00 0.00 H new ATOM 0 HB ILE B 105 -11.097 -7.897 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.086 -8.216 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.026 -7.978 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.983 -7.382 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.963 -8.862 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.193 -8.976 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -8.072 -5.869 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.849 -5.820 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.895 -6.062 -1.881 1.00 0.00 H new ATOM 1266 N THR B 106 -10.974 -10.382 -5.249 1.00 0.00 N ATOM 1267 CA THR B 106 -10.698 -10.544 -6.657 1.00 0.00 C ATOM 1268 C THR B 106 -11.700 -9.825 -7.544 1.00 0.00 C ATOM 1269 O THR B 106 -12.899 -10.097 -7.509 1.00 0.00 O ATOM 1270 CB THR B 106 -10.589 -12.034 -7.050 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.116 -12.252 -8.344 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.270 -13.007 -6.098 1.00 0.00 C ATOM 0 H THR B 106 -11.937 -10.563 -4.967 1.00 0.00 H new ATOM 0 HA THR B 106 -9.730 -10.074 -6.827 1.00 0.00 H new ATOM 0 HB THR B 106 -9.519 -12.239 -7.008 1.00 0.00 H new ATOM 0 HG1 THR B 106 -10.578 -11.765 -9.003 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.136 -14.026 -6.462 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.828 -12.915 -5.106 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.334 -12.778 -6.044 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.167 -8.972 -8.416 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.961 -8.276 -9.416 1.00 0.00 C ATOM 1282 C VAL B 107 -11.760 -9.018 -10.728 1.00 0.00 C ATOM 1283 O VAL B 107 -10.710 -8.888 -11.357 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.543 -6.786 -9.583 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.035 -6.628 -9.432 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -12.008 -6.217 -10.930 1.00 0.00 C ATOM 0 H VAL B 107 -10.173 -8.747 -8.446 1.00 0.00 H new ATOM 0 HA VAL B 107 -13.005 -8.266 -9.104 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.035 -6.218 -8.793 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.765 -5.579 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.731 -6.970 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.529 -7.222 -10.193 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.698 -5.175 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.562 -6.792 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -13.094 -6.279 -10.996 1.00 0.00 H new ATOM 1296 N THR B 108 -12.721 -9.834 -11.122 1.00 0.00 N ATOM 1297 CA THR B 108 -12.586 -10.610 -12.346 1.00 0.00 C ATOM 1298 C THR B 108 -12.579 -9.696 -13.571 1.00 0.00 C ATOM 1299 O THR B 108 -13.618 -9.428 -14.178 1.00 0.00 O ATOM 1300 CB THR B 108 -13.703 -11.630 -12.429 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.957 -11.012 -12.228 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.567 -12.744 -11.440 1.00 0.00 C ATOM 0 H THR B 108 -13.597 -9.977 -10.619 1.00 0.00 H new ATOM 0 HA THR B 108 -11.633 -11.139 -12.328 1.00 0.00 H new ATOM 0 HB THR B 108 -13.634 -12.057 -13.430 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.040 -10.238 -12.824 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.400 -13.437 -11.556 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.629 -13.272 -11.613 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.572 -12.336 -10.429 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.388 -9.209 -13.896 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.170 -8.292 -15.015 1.00 0.00 C ATOM 1312 C VAL B 109 -11.067 -9.015 -16.368 1.00 0.00 C ATOM 1313 O VAL B 109 -11.831 -9.939 -16.621 1.00 0.00 O ATOM 1314 CB VAL B 109 -9.900 -7.468 -14.771 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.016 -6.685 -13.477 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -8.697 -8.388 -14.739 1.00 0.00 C ATOM 0 H VAL B 109 -10.535 -9.440 -13.387 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.041 -7.639 -15.066 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.774 -6.753 -15.584 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.106 -6.106 -13.319 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -10.870 -6.010 -13.535 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -10.155 -7.375 -12.645 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -7.795 -7.801 -14.566 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -8.817 -9.116 -13.936 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -8.613 -8.910 -15.692 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.162 -8.533 -17.255 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.990 -9.060 -18.622 1.00 0.00 C ATOM 1328 C ASP B 110 -10.861 -8.235 -19.583 1.00 0.00 C ATOM 1329 O ASP B 110 -10.758 -8.336 -20.806 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.320 -10.552 -18.709 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.369 -11.066 -20.133 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -11.461 -11.003 -20.738 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -9.327 -11.532 -20.639 1.00 0.00 O ATOM 0 H ASP B 110 -9.530 -7.763 -17.036 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.942 -8.966 -18.907 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -9.573 -11.117 -18.150 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.282 -10.734 -18.230 1.00 0.00 H new ATOM 1338 N SER B 111 -11.669 -7.363 -18.985 1.00 0.00 N ATOM 1339 CA SER B 111 -12.528 -6.445 -19.713 1.00 0.00 C ATOM 1340 C SER B 111 -12.351 -5.037 -19.152 1.00 0.00 C ATOM 1341 O SER B 111 -12.003 -4.119 -19.889 1.00 0.00 O ATOM 1342 CB SER B 111 -13.994 -6.884 -19.642 1.00 0.00 C ATOM 1343 OG SER B 111 -14.347 -7.651 -20.792 1.00 0.00 O ATOM 0 H SER B 111 -11.743 -7.276 -17.971 1.00 0.00 H new ATOM 0 HA SER B 111 -12.241 -6.450 -20.765 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.159 -7.474 -18.741 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.638 -6.008 -19.571 1.00 0.00 H new ATOM 0 HG SER B 111 -15.286 -7.924 -20.728 1.00 0.00 H new ATOM 1349 N ASP B 112 -12.610 -4.877 -17.845 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.495 -3.581 -17.176 1.00 0.00 C ATOM 1351 C ASP B 112 -11.197 -2.835 -17.565 1.00 0.00 C ATOM 1352 O ASP B 112 -11.207 -2.060 -18.528 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.612 -3.782 -15.662 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.655 -4.817 -15.287 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.386 -6.019 -15.487 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.737 -4.427 -14.808 1.00 0.00 O ATOM 0 H ASP B 112 -12.902 -5.637 -17.231 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.312 -2.942 -17.510 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.644 -4.087 -15.264 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.864 -2.831 -15.192 1.00 0.00 H new ATOM 1361 N SER B 113 -10.077 -3.035 -16.837 1.00 0.00 N ATOM 1362 CA SER B 113 -8.805 -2.345 -17.169 1.00 0.00 C ATOM 1363 C SER B 113 -7.663 -2.730 -16.194 1.00 0.00 C ATOM 1364 O SER B 113 -6.828 -1.902 -15.830 1.00 0.00 O ATOM 1365 CB SER B 113 -9.005 -0.825 -17.170 1.00 0.00 C ATOM 1366 OG SER B 113 -9.448 -0.373 -18.441 1.00 0.00 O ATOM 0 H SER B 113 -10.024 -3.656 -16.030 1.00 0.00 H new ATOM 0 HA SER B 113 -8.512 -2.671 -18.167 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.734 -0.550 -16.407 1.00 0.00 H new ATOM 0 HB3 SER B 113 -8.069 -0.331 -16.910 1.00 0.00 H new ATOM 0 HG SER B 113 -10.403 -0.569 -18.543 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.647 -4.002 -15.789 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.637 -4.556 -14.865 1.00 0.00 C ATOM 1374 C TYR B 114 -5.332 -4.959 -15.567 1.00 0.00 C ATOM 1375 O TYR B 114 -4.245 -4.803 -15.011 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.223 -5.781 -14.189 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.216 -6.872 -13.952 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.949 -7.811 -14.930 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -5.542 -6.954 -12.757 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -5.040 -8.813 -14.723 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.623 -7.954 -12.525 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.373 -8.889 -13.515 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.464 -9.898 -13.303 1.00 0.00 O ATOM 0 H TYR B 114 -8.338 -4.688 -16.092 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.389 -3.774 -14.148 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.659 -5.486 -13.235 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.034 -6.173 -14.803 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.467 -7.753 -15.876 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -5.736 -6.222 -11.987 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.845 -9.539 -15.498 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -4.103 -8.008 -11.580 1.00 0.00 H new ATOM 0 HH TYR B 114 -2.631 -9.519 -12.953 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.451 -5.564 -16.748 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.282 -6.088 -17.459 1.00 0.00 C ATOM 1395 C GLN B 115 -3.107 -5.100 -17.572 1.00 0.00 C ATOM 1396 O GLN B 115 -1.972 -5.515 -17.405 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.673 -6.605 -18.847 1.00 0.00 C ATOM 1398 CG GLN B 115 -5.955 -7.432 -18.873 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.806 -8.735 -19.641 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -4.814 -9.454 -19.485 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.790 -9.053 -20.471 1.00 0.00 N ATOM 0 H GLN B 115 -6.338 -5.704 -17.232 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.921 -6.912 -16.844 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.790 -5.754 -19.519 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.856 -7.211 -19.239 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.259 -7.653 -17.850 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.753 -6.841 -19.322 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.593 -8.432 -20.572 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.744 -9.919 -21.009 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.338 -3.820 -17.859 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.209 -2.874 -17.981 1.00 0.00 C ATOM 1412 C LEU B 116 -1.368 -2.805 -16.690 1.00 0.00 C ATOM 1413 O LEU B 116 -0.136 -2.855 -16.738 1.00 0.00 O ATOM 1414 CB LEU B 116 -2.700 -1.475 -18.369 1.00 0.00 C ATOM 1415 CG LEU B 116 -2.136 -0.944 -19.692 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.069 0.091 -20.305 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -0.745 -0.357 -19.485 1.00 0.00 C ATOM 0 H LEU B 116 -4.262 -3.415 -18.009 1.00 0.00 H new ATOM 0 HA LEU B 116 -1.566 -3.253 -18.776 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -3.788 -1.491 -18.434 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.438 -0.779 -17.572 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.057 -1.781 -20.386 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -2.646 0.452 -21.243 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.041 -0.364 -20.497 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -3.189 0.927 -19.615 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -0.362 0.014 -20.435 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -0.799 0.464 -18.770 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -0.078 -1.129 -19.102 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.049 -2.703 -15.548 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.358 -2.634 -14.247 1.00 0.00 C ATOM 1431 C LEU B 117 -0.423 -3.827 -14.056 1.00 0.00 C ATOM 1432 O LEU B 117 0.724 -3.685 -13.627 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.346 -2.613 -13.100 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.036 -1.618 -11.986 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.655 -1.869 -11.408 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.146 -0.195 -12.497 1.00 0.00 C ATOM 0 H LEU B 117 -3.067 -2.666 -15.490 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.780 -1.710 -14.247 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.335 -2.389 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.396 -3.612 -12.668 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.769 -1.758 -11.192 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.456 -1.148 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.609 -2.879 -11.000 1.00 0.00 H new ATOM 0 HD13 LEU B 117 0.093 -1.761 -12.193 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -1.921 0.500 -11.688 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.437 -0.045 -13.312 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.158 -0.016 -12.859 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.938 -5.004 -14.375 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.185 -6.251 -14.255 1.00 0.00 C ATOM 1450 C LYS B 118 0.761 -6.414 -15.431 1.00 0.00 C ATOM 1451 O LYS B 118 1.870 -6.934 -15.296 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.146 -7.434 -14.176 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.024 -7.551 -15.401 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.138 -8.998 -15.886 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.458 -9.078 -17.374 1.00 0.00 C ATOM 1456 NZ LYS B 118 -3.359 -10.229 -17.709 1.00 0.00 N ATOM 0 H LYS B 118 -1.888 -5.126 -14.724 1.00 0.00 H new ATOM 0 HA LYS B 118 0.407 -6.218 -13.341 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.575 -8.354 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.774 -7.329 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.018 -7.165 -15.173 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.617 -6.931 -16.200 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.203 -9.522 -15.688 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -2.916 -9.510 -15.320 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -2.930 -8.148 -17.691 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.529 -9.172 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -4.032 -9.940 -18.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -2.789 -11.027 -18.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -3.882 -10.520 -16.858 1.00 0.00 H new ATOM 1470 N ALA B 119 0.307 -5.937 -16.576 1.00 0.00 N ATOM 1471 CA ALA B 119 1.082 -5.982 -17.805 1.00 0.00 C ATOM 1472 C ALA B 119 2.373 -5.207 -17.624 1.00 0.00 C ATOM 1473 O ALA B 119 3.383 -5.519 -18.256 1.00 0.00 O ATOM 1474 CB ALA B 119 0.283 -5.422 -18.973 1.00 0.00 C ATOM 0 H ALA B 119 -0.612 -5.506 -16.681 1.00 0.00 H new ATOM 0 HA ALA B 119 1.318 -7.022 -18.031 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.885 -5.467 -19.881 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.624 -6.011 -19.109 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.014 -4.386 -18.767 1.00 0.00 H new ATOM 1480 N TYR B 120 2.343 -4.201 -16.743 1.00 0.00 N ATOM 1481 CA TYR B 120 3.527 -3.419 -16.486 1.00 0.00 C ATOM 1482 C TYR B 120 4.360 -4.057 -15.371 1.00 0.00 C ATOM 1483 O TYR B 120 5.559 -4.212 -15.579 1.00 0.00 O ATOM 1484 CB TYR B 120 3.203 -1.916 -16.293 1.00 0.00 C ATOM 1485 CG TYR B 120 2.873 -1.418 -14.896 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.689 -1.689 -13.808 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.746 -0.623 -14.684 1.00 0.00 C ATOM 1488 CE1 TYR B 120 3.389 -1.199 -12.553 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.442 -0.134 -13.432 1.00 0.00 C ATOM 1490 CZ TYR B 120 2.263 -0.426 -12.370 1.00 0.00 C ATOM 1491 OH TYR B 120 1.964 0.065 -11.122 1.00 0.00 O ATOM 0 H TYR B 120 1.519 -3.923 -16.210 1.00 0.00 H new ATOM 0 HA TYR B 120 4.164 -3.433 -17.370 1.00 0.00 H new ATOM 0 HB2 TYR B 120 4.057 -1.344 -16.656 1.00 0.00 H new ATOM 0 HB3 TYR B 120 2.359 -1.673 -16.939 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.574 -2.293 -13.945 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.100 -0.387 -15.517 1.00 0.00 H new ATOM 0 HE1 TYR B 120 4.035 -1.421 -11.717 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.563 0.476 -13.286 1.00 0.00 H new ATOM 0 HH TYR B 120 1.138 0.591 -11.167 1.00 0.00 H new ATOM 1501 N ASP B 121 3.736 -4.500 -14.234 1.00 0.00 N ATOM 1502 CA ASP B 121 4.501 -5.201 -13.156 1.00 0.00 C ATOM 1503 C ASP B 121 3.976 -4.958 -11.733 1.00 0.00 C ATOM 1504 O ASP B 121 4.770 -4.765 -10.807 1.00 0.00 O ATOM 1505 CB ASP B 121 5.994 -4.827 -13.179 1.00 0.00 C ATOM 1506 CG ASP B 121 6.871 -5.905 -13.793 1.00 0.00 C ATOM 1507 OD1 ASP B 121 6.517 -7.100 -13.687 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.920 -5.554 -14.368 1.00 0.00 O ATOM 0 H ASP B 121 2.740 -4.388 -14.046 1.00 0.00 H new ATOM 0 HA ASP B 121 4.359 -6.257 -13.388 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.121 -3.901 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.329 -4.632 -12.160 1.00 0.00 H new ATOM 1513 N VAL B 122 2.663 -4.963 -11.535 1.00 0.00 N ATOM 1514 CA VAL B 122 2.123 -4.729 -10.189 1.00 0.00 C ATOM 1515 C VAL B 122 0.792 -5.411 -9.933 1.00 0.00 C ATOM 1516 O VAL B 122 0.537 -5.854 -8.809 1.00 0.00 O ATOM 1517 CB VAL B 122 1.972 -3.216 -9.919 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.067 -2.949 -8.723 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.335 -2.591 -9.706 1.00 0.00 C ATOM 0 H VAL B 122 1.965 -5.121 -12.262 1.00 0.00 H new ATOM 0 HA VAL B 122 2.848 -5.172 -9.506 1.00 0.00 H new ATOM 0 HB VAL B 122 1.503 -2.761 -10.791 1.00 0.00 H new ATOM 0 HG11 VAL B 122 0.984 -1.874 -8.563 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.078 -3.365 -8.915 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.491 -3.417 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.220 -1.524 -9.516 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.821 -3.061 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.946 -2.737 -10.597 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.084 -5.449 -10.929 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.401 -6.026 -10.724 1.00 0.00 C ATOM 1531 C ASN B 123 -2.112 -5.144 -9.695 1.00 0.00 C ATOM 1532 O ASN B 123 -2.415 -3.984 -9.980 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.303 -7.489 -10.243 1.00 0.00 C ATOM 1534 CG ASN B 123 -0.833 -8.444 -11.321 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -1.640 -9.119 -11.959 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.474 -8.518 -11.525 1.00 0.00 N ATOM 0 H ASN B 123 0.091 -5.094 -11.869 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.962 -6.054 -11.658 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.617 -7.541 -9.397 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.280 -7.812 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.845 -9.152 -12.233 1.00 0.00 H new ATOM 0 HD22 ASN B 123 1.110 -7.941 -10.974 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.362 -5.663 -8.501 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.022 -4.846 -7.488 1.00 0.00 C ATOM 1545 C ILE B 124 -2.569 -5.077 -6.055 1.00 0.00 C ATOM 1546 O ILE B 124 -3.093 -4.420 -5.157 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.552 -4.954 -7.530 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.997 -6.081 -8.437 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.147 -3.636 -7.986 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.390 -7.401 -8.049 1.00 0.00 C ATOM 0 H ILE B 124 -2.128 -6.613 -8.214 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.705 -3.842 -7.771 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.910 -5.179 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.084 -6.161 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.723 -5.846 -9.466 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.234 -3.718 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.860 -2.847 -7.290 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.775 -3.394 -8.982 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.740 -8.177 -8.730 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.304 -7.332 -8.105 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.685 -7.652 -7.030 1.00 0.00 H new ATOM 1562 N SER B 125 -1.637 -6.002 -5.823 1.00 0.00 N ATOM 1563 CA SER B 125 -1.198 -6.270 -4.450 1.00 0.00 C ATOM 1564 C SER B 125 -1.082 -4.950 -3.675 1.00 0.00 C ATOM 1565 O SER B 125 -1.842 -4.699 -2.732 1.00 0.00 O ATOM 1566 CB SER B 125 0.139 -7.015 -4.436 1.00 0.00 C ATOM 1567 OG SER B 125 0.087 -8.135 -3.566 1.00 0.00 O ATOM 0 H SER B 125 -1.182 -6.564 -6.542 1.00 0.00 H new ATOM 0 HA SER B 125 -1.940 -6.905 -3.967 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.386 -7.345 -5.445 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.933 -6.339 -4.118 1.00 0.00 H new ATOM 0 HG SER B 125 0.952 -8.596 -3.575 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.157 -4.090 -4.111 1.00 0.00 N ATOM 1574 CA GLY B 126 0.014 -2.790 -3.479 1.00 0.00 C ATOM 1575 C GLY B 126 -0.907 -1.739 -4.079 1.00 0.00 C ATOM 1576 O GLY B 126 -1.361 -0.833 -3.377 1.00 0.00 O ATOM 0 H GLY B 126 0.475 -4.272 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.183 -2.878 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.050 -2.468 -3.586 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.207 -1.881 -5.377 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.096 -0.971 -6.078 1.00 0.00 C ATOM 1582 C LEU B 127 -3.397 -0.810 -5.305 1.00 0.00 C ATOM 1583 O LEU B 127 -3.732 0.288 -4.859 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.391 -1.532 -7.471 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.585 -0.516 -8.590 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.847 -0.846 -9.361 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.644 0.893 -8.036 1.00 0.00 C ATOM 0 H LEU B 127 -0.837 -2.631 -5.961 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.617 0.004 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.573 -2.195 -7.751 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.290 -2.145 -7.408 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.732 -0.568 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.985 -0.119 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.761 -1.845 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.704 -0.812 -8.688 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.783 1.600 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.478 0.975 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -1.713 1.119 -7.516 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.111 -1.926 -5.133 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.363 -1.925 -4.392 1.00 0.00 C ATOM 1601 C VAL B 128 -5.161 -1.285 -3.020 1.00 0.00 C ATOM 1602 O VAL B 128 -5.753 -0.276 -2.718 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.930 -3.357 -4.251 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.778 -3.507 -2.998 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.744 -3.712 -5.482 1.00 0.00 C ATOM 0 H VAL B 128 -3.839 -2.838 -5.499 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.091 -1.335 -4.950 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.088 -4.044 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.158 -4.527 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.170 -3.292 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.615 -2.810 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.141 -4.722 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.569 -3.007 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.108 -3.662 -6.366 1.00 0.00 H new ATOM 1615 N SER B 129 -4.302 -1.872 -2.205 1.00 0.00 N ATOM 1616 CA SER B 129 -4.021 -1.348 -0.866 1.00 0.00 C ATOM 1617 C SER B 129 -3.720 0.155 -0.861 1.00 0.00 C ATOM 1618 O SER B 129 -4.249 0.886 -0.022 1.00 0.00 O ATOM 1619 CB SER B 129 -2.824 -2.082 -0.291 1.00 0.00 C ATOM 1620 OG SER B 129 -2.432 -1.526 0.955 1.00 0.00 O ATOM 0 H SER B 129 -3.781 -2.716 -2.442 1.00 0.00 H new ATOM 0 HA SER B 129 -4.917 -1.505 -0.266 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.068 -3.136 -0.161 1.00 0.00 H new ATOM 0 HB3 SER B 129 -1.992 -2.032 -0.993 1.00 0.00 H new ATOM 0 HG SER B 129 -1.454 -1.499 1.008 1.00 0.00 H new ATOM 1626 N THR B 130 -2.889 0.627 -1.788 1.00 0.00 N ATOM 1627 CA THR B 130 -2.562 2.046 -1.848 1.00 0.00 C ATOM 1628 C THR B 130 -3.759 2.818 -2.355 1.00 0.00 C ATOM 1629 O THR B 130 -4.194 3.798 -1.744 1.00 0.00 O ATOM 1630 CB THR B 130 -1.351 2.291 -2.759 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.145 2.154 -2.032 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.338 3.667 -3.396 1.00 0.00 C ATOM 0 H THR B 130 -2.435 0.054 -2.499 1.00 0.00 H new ATOM 0 HA THR B 130 -2.305 2.389 -0.846 1.00 0.00 H new ATOM 0 HB THR B 130 -1.434 1.544 -3.548 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.616 2.312 -2.629 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.454 3.768 -4.026 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.233 3.795 -4.004 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.317 4.429 -2.617 1.00 0.00 H new ATOM 1640 N THR B 131 -4.291 2.362 -3.482 1.00 0.00 N ATOM 1641 CA THR B 131 -5.438 3.001 -4.084 1.00 0.00 C ATOM 1642 C THR B 131 -6.624 3.020 -3.120 1.00 0.00 C ATOM 1643 O THR B 131 -7.253 4.062 -2.919 1.00 0.00 O ATOM 1644 CB THR B 131 -5.814 2.312 -5.395 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.837 2.560 -6.390 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.142 2.769 -5.945 1.00 0.00 C ATOM 0 H THR B 131 -3.941 1.551 -3.992 1.00 0.00 H new ATOM 0 HA THR B 131 -5.171 4.034 -4.306 1.00 0.00 H new ATOM 0 HB THR B 131 -5.877 1.250 -5.156 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.056 3.389 -6.864 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.351 2.242 -6.876 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.929 2.554 -5.222 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.107 3.842 -6.135 1.00 0.00 H new ATOM 1654 N MET B 132 -6.906 1.869 -2.513 1.00 0.00 N ATOM 1655 CA MET B 132 -7.994 1.734 -1.558 1.00 0.00 C ATOM 1656 C MET B 132 -7.848 2.724 -0.420 1.00 0.00 C ATOM 1657 O MET B 132 -8.735 3.524 -0.195 1.00 0.00 O ATOM 1658 CB MET B 132 -8.033 0.314 -0.999 1.00 0.00 C ATOM 1659 CG MET B 132 -8.271 -0.746 -2.053 1.00 0.00 C ATOM 1660 SD MET B 132 -9.992 -0.876 -2.515 1.00 0.00 S ATOM 1661 CE MET B 132 -10.131 -2.631 -2.727 1.00 0.00 C ATOM 0 H MET B 132 -6.385 1.007 -2.672 1.00 0.00 H new ATOM 0 HA MET B 132 -8.927 1.944 -2.082 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.090 0.106 -0.493 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.820 0.250 -0.247 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.677 -0.515 -2.937 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.924 -1.710 -1.680 1.00 0.00 H new ATOM 0 HE1 MET B 132 -11.152 -2.944 -2.507 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.884 -2.894 -3.756 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.443 -3.135 -2.048 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.722 2.674 0.293 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.488 3.589 1.409 1.00 0.00 C ATOM 1673 C GLN B 133 -6.711 5.041 0.992 1.00 0.00 C ATOM 1674 O GLN B 133 -7.248 5.836 1.762 1.00 0.00 O ATOM 1675 CB GLN B 133 -5.077 3.399 1.962 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.792 4.218 3.215 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.523 3.788 3.924 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.436 3.829 3.353 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -3.653 3.368 5.174 1.00 0.00 N ATOM 0 H GLN B 133 -5.963 2.015 0.119 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.207 3.355 2.194 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.924 2.343 2.187 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.355 3.669 1.191 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.712 5.271 2.945 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.634 4.128 3.901 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.574 3.349 5.613 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -2.832 3.064 5.698 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.318 5.382 -0.234 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.505 6.742 -0.738 1.00 0.00 C ATOM 1690 C ASN B 134 -7.994 7.046 -0.913 1.00 0.00 C ATOM 1691 O ASN B 134 -8.508 8.002 -0.325 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.714 6.932 -2.049 1.00 0.00 C ATOM 1693 CG ASN B 134 -6.560 7.389 -3.222 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -7.091 8.497 -3.227 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -6.684 6.537 -4.225 1.00 0.00 N ATOM 0 H ASN B 134 -5.872 4.742 -0.892 1.00 0.00 H new ATOM 0 HA ASN B 134 -6.115 7.455 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.922 7.661 -1.880 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.230 5.990 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -7.237 6.790 -5.044 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -6.226 5.627 -4.180 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.695 6.215 -1.678 1.00 0.00 N ATOM 1703 CA GLU B 135 -10.129 6.403 -1.873 1.00 0.00 C ATOM 1704 C GLU B 135 -10.908 5.974 -0.622 1.00 0.00 C ATOM 1705 O GLU B 135 -12.102 6.251 -0.498 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.608 5.643 -3.110 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.014 6.564 -4.252 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.463 5.811 -5.483 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -12.572 5.241 -5.456 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -10.706 5.793 -6.475 1.00 0.00 O ATOM 0 H GLU B 135 -8.299 5.413 -2.168 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.319 7.464 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.815 4.978 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.456 5.014 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -11.820 7.216 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -10.172 7.206 -4.512 1.00 0.00 H new ATOM 1717 N ALA B 136 -10.208 5.332 0.323 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.789 4.903 1.589 1.00 0.00 C ATOM 1719 C ALA B 136 -10.687 6.040 2.586 1.00 0.00 C ATOM 1720 O ALA B 136 -11.512 6.183 3.477 1.00 0.00 O ATOM 1721 CB ALA B 136 -10.060 3.681 2.115 1.00 0.00 C ATOM 0 H ALA B 136 -9.220 5.098 0.224 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.836 4.639 1.439 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.504 3.371 3.061 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -10.142 2.869 1.392 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -9.009 3.923 2.270 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.656 6.855 2.410 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.432 8.014 3.248 1.00 0.00 C ATOM 1729 C ARG B 137 -10.291 9.154 2.752 1.00 0.00 C ATOM 1730 O ARG B 137 -10.963 9.848 3.515 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.987 8.452 3.145 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.192 8.212 4.407 1.00 0.00 C ATOM 1733 CD ARG B 137 -7.371 9.359 5.377 1.00 0.00 C ATOM 1734 NE ARG B 137 -8.094 8.960 6.591 1.00 0.00 N ATOM 1735 CZ ARG B 137 -8.528 9.819 7.506 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -8.329 11.112 7.345 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -9.162 9.389 8.578 1.00 0.00 N ATOM 0 H ARG B 137 -8.954 6.727 1.681 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.677 7.757 4.279 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.513 7.921 2.320 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.954 9.514 2.901 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.513 7.281 4.874 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.136 8.098 4.162 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -6.393 9.753 5.653 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -7.912 10.166 4.884 1.00 0.00 H new ATOM 0 HE ARG B 137 -8.273 7.967 6.740 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -7.841 11.454 6.517 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -8.663 11.771 8.048 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -9.322 8.390 8.709 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -9.492 10.055 9.277 1.00 0.00 H new ATOM 1751 N ARG B 138 -10.210 9.345 1.447 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.917 10.411 0.760 1.00 0.00 C ATOM 1753 C ARG B 138 -12.448 10.387 0.965 1.00 0.00 C ATOM 1754 O ARG B 138 -13.086 11.436 0.880 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.603 10.357 -0.737 1.00 0.00 C ATOM 1756 CG ARG B 138 -10.702 11.705 -1.433 1.00 0.00 C ATOM 1757 CD ARG B 138 -9.338 12.190 -1.893 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.438 13.381 -2.741 1.00 0.00 N ATOM 1759 CZ ARG B 138 -8.400 14.110 -3.129 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -7.178 13.780 -2.761 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -8.588 15.167 -3.890 1.00 0.00 N ATOM 0 H ARG B 138 -9.647 8.760 0.830 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.562 11.342 1.202 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.597 9.961 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -11.288 9.659 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -11.370 11.626 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -11.140 12.436 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.720 12.415 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -8.836 11.394 -2.443 1.00 0.00 H new ATOM 0 HE ARG B 138 -10.366 13.668 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -7.026 12.960 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -6.384 14.345 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -9.531 15.425 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -7.791 15.728 -4.189 1.00 0.00 H new