USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 529 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 26 CYS SG : rot 96:sc= 1.53 USER MOD Set 1.2: A 57 CYS SG : rot -171:sc= 1.68 USER MOD Set 2.1: A 36 CYS SG : rot 170:sc= -1.45 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.406 K(o=-1.9,f=-0.93) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 160:sc= 0.0286 (180deg=-0.22) USER MOD Set 3.2: A 23 CYS SG : rot -172:sc= 0.046 USER MOD Set 4.1: A 1 MET N :NH3+ -167:sc= -0.0313 (180deg=-0.366) USER MOD Set 4.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -31:sc= 0.286 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0802 (180deg=-0.337) USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= -0.0613 (180deg=-0.309) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 12 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 16 CYS SG : rot -37:sc= 0.0587 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= -0.057 (180deg=-0.275) USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0945 (180deg=-0.375) USER MOD Single : A 35 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 42 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.77) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -17:sc= -0.779 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 143:sc= -0.0753 (180deg=-0.455) USER MOD Single : A 58 MET CE :methyl 167:sc= -2.64 (180deg=-2.81!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.388 -22.983 -20.945 1.00 0.00 N ATOM 2 CA MET A 1 5.087 -23.623 -21.269 1.00 0.00 C ATOM 3 C MET A 1 4.534 -24.374 -20.062 1.00 0.00 C ATOM 4 O MET A 1 3.320 -24.463 -19.876 1.00 0.00 O ATOM 5 CB MET A 1 5.250 -24.586 -22.446 1.00 0.00 C ATOM 6 CG MET A 1 5.641 -23.902 -23.745 1.00 0.00 C ATOM 7 SD MET A 1 5.833 -25.066 -25.110 1.00 0.00 S ATOM 8 CE MET A 1 6.237 -23.950 -26.453 1.00 0.00 C ATOM 0 H1 MET A 1 6.637 -22.305 -21.693 1.00 0.00 H new ATOM 0 H2 MET A 1 6.312 -22.483 -20.036 1.00 0.00 H new ATOM 0 H3 MET A 1 7.127 -23.712 -20.879 1.00 0.00 H new ATOM 0 HA MET A 1 4.382 -22.837 -21.542 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.007 -25.328 -22.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.314 -25.124 -22.596 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.882 -23.164 -24.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.576 -23.361 -23.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.386 -24.522 -27.369 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.421 -23.242 -26.596 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.151 -23.407 -26.212 1.00 0.00 H new ATOM 20 N THR A 2 5.433 -24.915 -19.247 1.00 0.00 N ATOM 21 CA THR A 2 5.040 -25.658 -18.057 1.00 0.00 C ATOM 22 C THR A 2 5.156 -24.794 -16.807 1.00 0.00 C ATOM 23 O THR A 2 4.616 -25.132 -15.753 1.00 0.00 O ATOM 24 CB THR A 2 5.900 -26.923 -17.876 1.00 0.00 C ATOM 25 OG1 THR A 2 5.527 -27.600 -16.671 1.00 0.00 O ATOM 26 CG2 THR A 2 7.379 -26.570 -17.828 1.00 0.00 C ATOM 0 H THR A 2 6.441 -24.852 -19.390 1.00 0.00 H new ATOM 0 HA THR A 2 4.000 -25.952 -18.196 1.00 0.00 H new ATOM 0 HB THR A 2 5.727 -27.578 -18.730 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.216 -26.946 -16.011 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.966 -27.479 -17.700 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.667 -26.081 -18.759 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.565 -25.897 -16.991 1.00 0.00 H new ATOM 34 N GLU A 3 5.864 -23.676 -16.933 1.00 0.00 N ATOM 35 CA GLU A 3 6.053 -22.760 -15.815 1.00 0.00 C ATOM 36 C GLU A 3 5.411 -21.407 -16.109 1.00 0.00 C ATOM 37 O GLU A 3 4.848 -20.770 -15.219 1.00 0.00 O ATOM 38 CB GLU A 3 7.544 -22.580 -15.523 1.00 0.00 C ATOM 39 CG GLU A 3 7.829 -21.660 -14.348 1.00 0.00 C ATOM 40 CD GLU A 3 9.314 -21.511 -14.075 1.00 0.00 C ATOM 41 OE1 GLU A 3 9.944 -20.624 -14.690 1.00 0.00 O ATOM 42 OE2 GLU A 3 9.845 -22.280 -13.247 1.00 0.00 O ATOM 0 H GLU A 3 6.316 -23.383 -17.799 1.00 0.00 H new ATOM 0 HA GLU A 3 5.569 -23.189 -14.938 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.987 -23.556 -15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.034 -22.182 -16.412 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.399 -20.678 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.336 -22.050 -13.457 1.00 0.00 H new ATOM 49 N THR A 4 5.499 -20.976 -17.364 1.00 0.00 N ATOM 50 CA THR A 4 4.928 -19.699 -17.776 1.00 0.00 C ATOM 51 C THR A 4 3.640 -19.901 -18.568 1.00 0.00 C ATOM 52 O THR A 4 3.583 -20.727 -19.480 1.00 0.00 O ATOM 53 CB THR A 4 5.918 -18.888 -18.632 1.00 0.00 C ATOM 54 OG1 THR A 4 6.290 -19.636 -19.796 1.00 0.00 O ATOM 55 CG2 THR A 4 7.164 -18.536 -17.831 1.00 0.00 C ATOM 0 H THR A 4 5.960 -21.493 -18.113 1.00 0.00 H new ATOM 0 HA THR A 4 4.709 -19.145 -16.863 1.00 0.00 H new ATOM 0 HB THR A 4 5.426 -17.964 -18.937 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.918 -19.111 -20.335 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.849 -17.963 -18.456 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.882 -17.941 -16.962 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.654 -19.451 -17.500 1.00 0.00 H new ATOM 63 N ASP A 5 2.608 -19.142 -18.213 1.00 0.00 N ATOM 64 CA ASP A 5 1.320 -19.232 -18.893 1.00 0.00 C ATOM 65 C ASP A 5 0.706 -17.848 -19.080 1.00 0.00 C ATOM 66 O ASP A 5 -0.414 -17.717 -19.573 1.00 0.00 O ATOM 67 CB ASP A 5 0.361 -20.125 -18.102 1.00 0.00 C ATOM 68 CG ASP A 5 0.869 -21.547 -17.970 1.00 0.00 C ATOM 69 OD1 ASP A 5 1.589 -21.831 -16.989 1.00 0.00 O ATOM 70 OD2 ASP A 5 0.546 -22.378 -18.845 1.00 0.00 O ATOM 0 H ASP A 5 2.638 -18.457 -17.458 1.00 0.00 H new ATOM 0 HA ASP A 5 1.487 -19.672 -19.876 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.212 -19.702 -17.109 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.612 -20.134 -18.594 1.00 0.00 H new ATOM 75 N LYS A 6 1.448 -16.817 -18.683 1.00 0.00 N ATOM 76 CA LYS A 6 0.981 -15.440 -18.807 1.00 0.00 C ATOM 77 C LYS A 6 2.076 -14.546 -19.383 1.00 0.00 C ATOM 78 O LYS A 6 3.264 -14.810 -19.198 1.00 0.00 O ATOM 79 CB LYS A 6 0.535 -14.907 -17.442 1.00 0.00 C ATOM 80 CG LYS A 6 -0.083 -13.518 -17.498 1.00 0.00 C ATOM 81 CD LYS A 6 -0.529 -13.045 -16.123 1.00 0.00 C ATOM 82 CE LYS A 6 -1.729 -13.832 -15.618 1.00 0.00 C ATOM 83 NZ LYS A 6 -2.922 -13.648 -16.490 1.00 0.00 N ATOM 0 H LYS A 6 2.377 -16.910 -18.272 1.00 0.00 H new ATOM 0 HA LYS A 6 0.131 -15.429 -19.489 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.188 -15.599 -17.011 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.395 -14.885 -16.772 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.641 -12.814 -17.908 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.937 -13.527 -18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.296 -13.147 -15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.781 -11.985 -16.167 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.474 -14.891 -15.570 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.969 -13.516 -14.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.776 -13.950 -15.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.010 -12.645 -16.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.814 -14.221 -17.351 1.00 0.00 H new ATOM 97 N LYS A 7 1.669 -13.489 -20.080 1.00 0.00 N ATOM 98 CA LYS A 7 2.619 -12.559 -20.681 1.00 0.00 C ATOM 99 C LYS A 7 2.188 -11.113 -20.448 1.00 0.00 C ATOM 100 O LYS A 7 1.002 -10.831 -20.277 1.00 0.00 O ATOM 101 CB LYS A 7 2.753 -12.832 -22.182 1.00 0.00 C ATOM 102 CG LYS A 7 3.840 -12.010 -22.859 1.00 0.00 C ATOM 103 CD LYS A 7 3.980 -12.368 -24.330 1.00 0.00 C ATOM 104 CE LYS A 7 5.077 -11.556 -25.000 1.00 0.00 C ATOM 105 NZ LYS A 7 6.395 -11.746 -24.335 1.00 0.00 N ATOM 0 H LYS A 7 0.689 -13.256 -20.242 1.00 0.00 H new ATOM 0 HA LYS A 7 3.588 -12.710 -20.205 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.964 -13.891 -22.332 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.799 -12.625 -22.666 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.608 -10.949 -22.763 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.791 -12.175 -22.352 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.202 -13.431 -24.427 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.033 -12.192 -24.840 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.154 -11.846 -26.048 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.810 -10.499 -24.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.151 -11.391 -24.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.409 -11.222 -23.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.547 -12.758 -24.148 1.00 0.00 H new ATOM 119 N GLN A 8 3.163 -10.207 -20.437 1.00 0.00 N ATOM 120 CA GLN A 8 2.902 -8.785 -20.226 1.00 0.00 C ATOM 121 C GLN A 8 2.260 -8.537 -18.863 1.00 0.00 C ATOM 122 O GLN A 8 1.058 -8.735 -18.685 1.00 0.00 O ATOM 123 CB GLN A 8 2.004 -8.234 -21.335 1.00 0.00 C ATOM 124 CG GLN A 8 2.629 -8.312 -22.720 1.00 0.00 C ATOM 125 CD GLN A 8 1.708 -7.787 -23.804 1.00 0.00 C ATOM 126 OE1 GLN A 8 0.887 -6.901 -23.564 1.00 0.00 O ATOM 127 NE2 GLN A 8 1.840 -8.333 -25.007 1.00 0.00 N ATOM 0 H GLN A 8 4.148 -10.435 -20.573 1.00 0.00 H new ATOM 0 HA GLN A 8 3.859 -8.265 -20.253 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.064 -8.786 -21.338 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.762 -7.195 -21.113 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.557 -7.741 -22.729 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.890 -9.347 -22.939 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.534 -9.065 -25.162 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.248 -8.021 -25.777 1.00 0.00 H new ATOM 136 N GLU A 9 3.073 -8.104 -17.904 1.00 0.00 N ATOM 137 CA GLU A 9 2.589 -7.822 -16.555 1.00 0.00 C ATOM 138 C GLU A 9 2.763 -6.346 -16.214 1.00 0.00 C ATOM 139 O GLU A 9 1.890 -5.733 -15.599 1.00 0.00 O ATOM 140 CB GLU A 9 3.332 -8.684 -15.532 1.00 0.00 C ATOM 141 CG GLU A 9 3.174 -10.177 -15.766 1.00 0.00 C ATOM 142 CD GLU A 9 3.945 -11.009 -14.759 1.00 0.00 C ATOM 143 OE1 GLU A 9 3.377 -11.331 -13.695 1.00 0.00 O ATOM 144 OE2 GLU A 9 5.118 -11.338 -15.037 1.00 0.00 O ATOM 0 H GLU A 9 4.071 -7.940 -18.036 1.00 0.00 H new ATOM 0 HA GLU A 9 1.527 -8.063 -16.519 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.392 -8.431 -15.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.970 -8.441 -14.533 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.117 -10.439 -15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.516 -10.422 -16.772 1.00 0.00 H new ATOM 151 N GLN A 10 3.896 -5.781 -16.618 1.00 0.00 N ATOM 152 CA GLN A 10 4.191 -4.376 -16.361 1.00 0.00 C ATOM 153 C GLN A 10 5.319 -3.888 -17.261 1.00 0.00 C ATOM 154 O GLN A 10 5.474 -2.687 -17.485 1.00 0.00 O ATOM 155 CB GLN A 10 4.568 -4.172 -14.892 1.00 0.00 C ATOM 156 CG GLN A 10 5.690 -5.083 -14.419 1.00 0.00 C ATOM 157 CD GLN A 10 6.002 -4.907 -12.947 1.00 0.00 C ATOM 158 OE1 GLN A 10 5.128 -4.562 -12.151 1.00 0.00 O ATOM 159 NE2 GLN A 10 7.255 -5.145 -12.575 1.00 0.00 N ATOM 0 H GLN A 10 4.628 -6.277 -17.127 1.00 0.00 H new ATOM 0 HA GLN A 10 3.296 -3.794 -16.581 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.867 -3.134 -14.743 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.687 -4.342 -14.273 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.414 -6.121 -14.607 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.588 -4.881 -15.004 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.948 -5.429 -13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.524 -5.044 -11.596 1.00 0.00 H new ATOM 168 N GLU A 11 6.104 -4.830 -17.775 1.00 0.00 N ATOM 169 CA GLU A 11 7.219 -4.502 -18.655 1.00 0.00 C ATOM 170 C GLU A 11 6.715 -4.013 -20.009 1.00 0.00 C ATOM 171 O GLU A 11 7.462 -3.410 -20.779 1.00 0.00 O ATOM 172 CB GLU A 11 8.125 -5.721 -18.841 1.00 0.00 C ATOM 173 CG GLU A 11 7.405 -6.933 -19.406 1.00 0.00 C ATOM 174 CD GLU A 11 8.303 -8.151 -19.503 1.00 0.00 C ATOM 175 OE1 GLU A 11 8.388 -8.906 -18.511 1.00 0.00 O ATOM 176 OE2 GLU A 11 8.923 -8.349 -20.569 1.00 0.00 O ATOM 0 H GLU A 11 5.988 -5.828 -17.597 1.00 0.00 H new ATOM 0 HA GLU A 11 7.794 -3.701 -18.191 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.947 -5.454 -19.506 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.566 -5.986 -17.880 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.547 -7.168 -18.776 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.017 -6.692 -20.396 1.00 0.00 H new ATOM 183 N ASN A 12 5.442 -4.277 -20.292 1.00 0.00 N ATOM 184 CA ASN A 12 4.836 -3.860 -21.553 1.00 0.00 C ATOM 185 C ASN A 12 3.849 -2.719 -21.325 1.00 0.00 C ATOM 186 O ASN A 12 2.945 -2.823 -20.497 1.00 0.00 O ATOM 187 CB ASN A 12 4.127 -5.039 -22.223 1.00 0.00 C ATOM 188 CG ASN A 12 3.523 -4.664 -23.563 1.00 0.00 C ATOM 189 OD1 ASN A 12 4.175 -4.771 -24.602 1.00 0.00 O ATOM 190 ND2 ASN A 12 2.271 -4.219 -23.546 1.00 0.00 N ATOM 0 H ASN A 12 4.811 -4.777 -19.666 1.00 0.00 H new ATOM 0 HA ASN A 12 5.631 -3.508 -22.211 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.837 -5.855 -22.363 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.342 -5.409 -21.564 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.813 -3.950 -24.417 1.00 0.00 H new ATOM 0 HD22 ASN A 12 1.768 -4.146 -22.662 1.00 0.00 H new ATOM 197 N HIS A 13 4.030 -1.632 -22.068 1.00 0.00 N ATOM 198 CA HIS A 13 3.158 -0.468 -21.947 1.00 0.00 C ATOM 199 C HIS A 13 1.738 -0.798 -22.399 1.00 0.00 C ATOM 200 O HIS A 13 1.527 -1.289 -23.509 1.00 0.00 O ATOM 201 CB HIS A 13 3.713 0.694 -22.773 1.00 0.00 C ATOM 202 CG HIS A 13 2.982 1.983 -22.564 1.00 0.00 C ATOM 203 ND1 HIS A 13 3.410 2.958 -21.689 1.00 0.00 N ATOM 204 CD2 HIS A 13 1.847 2.458 -23.129 1.00 0.00 C ATOM 205 CE1 HIS A 13 2.570 3.977 -21.723 1.00 0.00 C ATOM 206 NE2 HIS A 13 1.614 3.697 -22.589 1.00 0.00 N ATOM 0 H HIS A 13 4.772 -1.532 -22.760 1.00 0.00 H new ATOM 0 HA HIS A 13 3.124 -0.177 -20.897 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.764 0.838 -22.522 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.671 0.430 -23.830 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.239 1.955 -23.867 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.651 4.884 -21.142 1.00 0.00 H new ATOM 0 HE2 HIS A 13 0.828 4.305 -22.820 1.00 0.00 H new ATOM 215 N ALA A 14 0.766 -0.524 -21.532 1.00 0.00 N ATOM 216 CA ALA A 14 -0.635 -0.789 -21.842 1.00 0.00 C ATOM 217 C ALA A 14 -1.541 0.281 -21.242 1.00 0.00 C ATOM 218 O ALA A 14 -1.243 0.837 -20.184 1.00 0.00 O ATOM 219 CB ALA A 14 -1.035 -2.167 -21.339 1.00 0.00 C ATOM 0 H ALA A 14 0.924 -0.119 -20.609 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.754 -0.762 -22.925 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.083 -2.351 -21.577 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.415 -2.924 -21.820 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.894 -2.215 -20.259 1.00 0.00 H new ATOM 225 N GLU A 15 -2.648 0.565 -21.927 1.00 0.00 N ATOM 226 CA GLU A 15 -3.606 1.569 -21.468 1.00 0.00 C ATOM 227 C GLU A 15 -2.947 2.939 -21.338 1.00 0.00 C ATOM 228 O GLU A 15 -1.775 3.110 -21.675 1.00 0.00 O ATOM 229 CB GLU A 15 -4.218 1.155 -20.126 1.00 0.00 C ATOM 230 CG GLU A 15 -5.109 -0.074 -20.212 1.00 0.00 C ATOM 231 CD GLU A 15 -4.337 -1.334 -20.548 1.00 0.00 C ATOM 232 OE1 GLU A 15 -3.813 -1.976 -19.614 1.00 0.00 O ATOM 233 OE2 GLU A 15 -4.257 -1.679 -21.746 1.00 0.00 O ATOM 0 H GLU A 15 -2.904 0.112 -22.804 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.398 1.637 -22.213 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.415 0.961 -19.415 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.800 1.987 -19.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.624 -0.211 -19.261 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.876 0.090 -20.969 1.00 0.00 H new ATOM 240 N CYS A 16 -3.709 3.912 -20.850 1.00 0.00 N ATOM 241 CA CYS A 16 -3.202 5.268 -20.675 1.00 0.00 C ATOM 242 C CYS A 16 -3.298 5.701 -19.216 1.00 0.00 C ATOM 243 O CYS A 16 -4.390 5.775 -18.651 1.00 0.00 O ATOM 244 CB CYS A 16 -3.979 6.245 -21.560 1.00 0.00 C ATOM 245 SG CYS A 16 -3.432 7.962 -21.422 1.00 0.00 S ATOM 0 H CYS A 16 -4.681 3.786 -20.568 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.153 5.277 -20.970 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.888 5.928 -22.599 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.037 6.190 -21.302 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.101 8.214 -20.190 1.00 0.00 H new ATOM 251 N GLU A 17 -2.150 5.987 -18.612 1.00 0.00 N ATOM 252 CA GLU A 17 -2.104 6.412 -17.219 1.00 0.00 C ATOM 253 C GLU A 17 -2.619 7.841 -17.069 1.00 0.00 C ATOM 254 O GLU A 17 -2.585 8.624 -18.018 1.00 0.00 O ATOM 255 CB GLU A 17 -0.677 6.311 -16.678 1.00 0.00 C ATOM 256 CG GLU A 17 -0.105 4.903 -16.733 1.00 0.00 C ATOM 257 CD GLU A 17 -0.944 3.901 -15.964 1.00 0.00 C ATOM 258 OE1 GLU A 17 -0.943 3.960 -14.717 1.00 0.00 O ATOM 259 OE2 GLU A 17 -1.604 3.060 -16.610 1.00 0.00 O ATOM 0 H GLU A 17 -1.238 5.932 -19.066 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.750 5.750 -16.642 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.032 6.979 -17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.663 6.660 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.030 4.586 -17.773 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.907 4.910 -16.328 1.00 0.00 H new ATOM 266 N ASP A 18 -3.098 8.170 -15.872 1.00 0.00 N ATOM 267 CA ASP A 18 -3.621 9.505 -15.598 1.00 0.00 C ATOM 268 C ASP A 18 -2.506 10.546 -15.612 1.00 0.00 C ATOM 269 O ASP A 18 -2.558 11.514 -16.370 1.00 0.00 O ATOM 270 CB ASP A 18 -4.339 9.528 -14.248 1.00 0.00 C ATOM 271 CG ASP A 18 -5.516 8.573 -14.201 1.00 0.00 C ATOM 272 OD1 ASP A 18 -5.310 7.396 -13.838 1.00 0.00 O ATOM 273 OD2 ASP A 18 -6.642 9.003 -14.529 1.00 0.00 O ATOM 0 H ASP A 18 -3.135 7.531 -15.078 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.332 9.754 -16.385 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.632 9.268 -13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.688 10.540 -14.043 1.00 0.00 H new ATOM 278 N LYS A 19 -1.499 10.342 -14.766 1.00 0.00 N ATOM 279 CA LYS A 19 -0.374 11.266 -14.682 1.00 0.00 C ATOM 280 C LYS A 19 0.953 10.508 -14.593 1.00 0.00 C ATOM 281 O LYS A 19 1.075 9.551 -13.830 1.00 0.00 O ATOM 282 CB LYS A 19 -0.531 12.184 -13.467 1.00 0.00 C ATOM 283 CG LYS A 19 0.609 13.176 -13.301 1.00 0.00 C ATOM 284 CD LYS A 19 0.378 14.111 -12.124 1.00 0.00 C ATOM 285 CE LYS A 19 -0.802 15.040 -12.368 1.00 0.00 C ATOM 286 NZ LYS A 19 -0.992 16.004 -11.248 1.00 0.00 N ATOM 0 H LYS A 19 -1.440 9.546 -14.131 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.366 11.870 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.469 12.733 -13.556 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.603 11.573 -12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.544 12.634 -13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.717 13.761 -14.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.199 13.525 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.276 14.702 -11.947 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.646 15.589 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.709 14.449 -12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.806 16.619 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.167 15.481 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.137 16.586 -11.142 1.00 0.00 H new ATOM 300 N PRO A 20 1.969 10.928 -15.374 1.00 0.00 N ATOM 301 CA PRO A 20 3.283 10.277 -15.366 1.00 0.00 C ATOM 302 C PRO A 20 4.027 10.500 -14.054 1.00 0.00 C ATOM 303 O PRO A 20 4.061 11.616 -13.533 1.00 0.00 O ATOM 304 CB PRO A 20 4.026 10.953 -16.523 1.00 0.00 C ATOM 305 CG PRO A 20 3.365 12.278 -16.671 1.00 0.00 C ATOM 306 CD PRO A 20 1.921 12.060 -16.319 1.00 0.00 C ATOM 0 HA PRO A 20 3.202 9.195 -15.471 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.088 11.062 -16.302 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.950 10.367 -17.439 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.820 13.017 -16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.466 12.653 -17.689 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.480 12.946 -15.863 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.324 11.824 -17.200 1.00 0.00 H new ATOM 314 N LYS A 21 4.611 9.429 -13.521 1.00 0.00 N ATOM 315 CA LYS A 21 5.359 9.498 -12.270 1.00 0.00 C ATOM 316 C LYS A 21 4.429 9.846 -11.112 1.00 0.00 C ATOM 317 O LYS A 21 4.349 11.001 -10.696 1.00 0.00 O ATOM 318 CB LYS A 21 6.490 10.526 -12.375 1.00 0.00 C ATOM 319 CG LYS A 21 7.402 10.566 -11.159 1.00 0.00 C ATOM 320 CD LYS A 21 8.530 11.566 -11.344 1.00 0.00 C ATOM 321 CE LYS A 21 9.424 11.631 -10.119 1.00 0.00 C ATOM 322 NZ LYS A 21 10.062 10.318 -9.827 1.00 0.00 N ATOM 0 H LYS A 21 4.580 8.499 -13.939 1.00 0.00 H new ATOM 0 HA LYS A 21 5.800 8.520 -12.079 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.089 10.304 -13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.056 11.515 -12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.821 10.830 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.818 9.574 -10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.124 11.289 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.113 12.553 -11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.197 12.384 -10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.837 11.949 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.897 10.464 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.383 9.704 -9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.353 9.867 -10.718 1.00 0.00 H new ATOM 336 N PRO A 22 3.701 8.846 -10.580 1.00 0.00 N ATOM 337 CA PRO A 22 2.767 9.059 -9.474 1.00 0.00 C ATOM 338 C PRO A 22 3.476 9.409 -8.169 1.00 0.00 C ATOM 339 O PRO A 22 3.392 10.541 -7.691 1.00 0.00 O ATOM 340 CB PRO A 22 2.043 7.717 -9.346 1.00 0.00 C ATOM 341 CG PRO A 22 2.984 6.719 -9.926 1.00 0.00 C ATOM 342 CD PRO A 22 3.730 7.435 -11.016 1.00 0.00 C ATOM 0 HA PRO A 22 2.100 9.899 -9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.816 7.488 -8.305 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.095 7.726 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.670 6.343 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.444 5.859 -10.323 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.751 7.066 -11.114 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.249 7.304 -11.985 1.00 0.00 H new ATOM 350 N CYS A 23 4.175 8.431 -7.597 1.00 0.00 N ATOM 351 CA CYS A 23 4.901 8.631 -6.346 1.00 0.00 C ATOM 352 C CYS A 23 3.956 9.072 -5.229 1.00 0.00 C ATOM 353 O CYS A 23 4.381 9.684 -4.250 1.00 0.00 O ATOM 354 CB CYS A 23 6.009 9.669 -6.537 1.00 0.00 C ATOM 355 SG CYS A 23 7.230 9.222 -7.794 1.00 0.00 S ATOM 0 H CYS A 23 4.254 7.490 -7.982 1.00 0.00 H new ATOM 0 HA CYS A 23 5.350 7.680 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.556 10.623 -6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.520 9.818 -5.586 1.00 0.00 H new ATOM 0 HG CYS A 23 8.212 10.073 -7.767 1.00 0.00 H new ATOM 361 N CYS A 24 2.673 8.750 -5.382 1.00 0.00 N ATOM 362 CA CYS A 24 1.670 9.111 -4.384 1.00 0.00 C ATOM 363 C CYS A 24 0.585 8.041 -4.293 1.00 0.00 C ATOM 364 O CYS A 24 0.556 7.111 -5.099 1.00 0.00 O ATOM 365 CB CYS A 24 1.038 10.461 -4.725 1.00 0.00 C ATOM 366 SG CYS A 24 0.162 10.488 -6.306 1.00 0.00 S ATOM 0 H CYS A 24 2.305 8.241 -6.186 1.00 0.00 H new ATOM 0 HA CYS A 24 2.169 9.185 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.342 10.735 -3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.819 11.222 -4.741 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.339 11.671 -6.504 1.00 0.00 H new ATOM 372 N VAL A 25 -0.300 8.192 -3.304 1.00 0.00 N ATOM 373 CA VAL A 25 -1.407 7.255 -3.075 1.00 0.00 C ATOM 374 C VAL A 25 -0.967 5.798 -3.226 1.00 0.00 C ATOM 375 O VAL A 25 0.225 5.490 -3.205 1.00 0.00 O ATOM 376 CB VAL A 25 -2.605 7.538 -4.012 1.00 0.00 C ATOM 377 CG1 VAL A 25 -3.044 8.990 -3.891 1.00 0.00 C ATOM 378 CG2 VAL A 25 -2.277 7.192 -5.459 1.00 0.00 C ATOM 0 H VAL A 25 -0.271 8.965 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.727 7.412 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.430 6.898 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.888 9.172 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.342 9.195 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.217 9.644 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.141 7.403 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.430 7.791 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.025 6.134 -5.532 1.00 0.00 H new ATOM 388 N CYS A 26 -1.942 4.902 -3.355 1.00 0.00 N ATOM 389 CA CYS A 26 -1.659 3.479 -3.510 1.00 0.00 C ATOM 390 C CYS A 26 -2.772 2.776 -4.280 1.00 0.00 C ATOM 391 O CYS A 26 -3.825 2.464 -3.724 1.00 0.00 O ATOM 392 CB CYS A 26 -1.473 2.816 -2.144 1.00 0.00 C ATOM 393 SG CYS A 26 0.226 2.866 -1.524 1.00 0.00 S ATOM 0 H CYS A 26 -2.935 5.137 -3.355 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.734 3.386 -4.080 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.126 3.306 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.794 1.776 -2.210 1.00 0.00 H new ATOM 0 HG CYS A 26 0.368 3.885 -0.730 1.00 0.00 H new ATOM 399 N LYS A 27 -2.528 2.533 -5.562 1.00 0.00 N ATOM 400 CA LYS A 27 -3.503 1.861 -6.414 1.00 0.00 C ATOM 401 C LYS A 27 -3.674 0.388 -6.018 1.00 0.00 C ATOM 402 O LYS A 27 -4.802 -0.090 -5.899 1.00 0.00 O ATOM 403 CB LYS A 27 -3.093 1.969 -7.885 1.00 0.00 C ATOM 404 CG LYS A 27 -4.048 1.270 -8.840 1.00 0.00 C ATOM 405 CD LYS A 27 -3.661 1.504 -10.292 1.00 0.00 C ATOM 406 CE LYS A 27 -2.295 0.916 -10.613 1.00 0.00 C ATOM 407 NZ LYS A 27 -2.251 -0.553 -10.372 1.00 0.00 N ATOM 0 H LYS A 27 -1.662 2.791 -6.036 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.462 2.359 -6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.027 3.022 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.096 1.545 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.052 0.200 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.062 1.632 -8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.411 1.058 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.654 2.574 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.048 1.120 -11.655 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.536 1.407 -10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.401 -0.953 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.224 -0.736 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.098 -0.997 -10.781 1.00 0.00 H new ATOM 421 N PRO A 28 -2.564 -0.357 -5.809 1.00 0.00 N ATOM 422 CA PRO A 28 -2.633 -1.775 -5.431 1.00 0.00 C ATOM 423 C PRO A 28 -3.500 -2.018 -4.197 1.00 0.00 C ATOM 424 O PRO A 28 -4.200 -3.028 -4.112 1.00 0.00 O ATOM 425 CB PRO A 28 -1.177 -2.147 -5.140 1.00 0.00 C ATOM 426 CG PRO A 28 -0.369 -1.166 -5.914 1.00 0.00 C ATOM 427 CD PRO A 28 -1.166 0.108 -5.928 1.00 0.00 C ATOM 0 HA PRO A 28 -3.091 -2.374 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.959 -2.085 -4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.961 -3.169 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.606 -1.011 -5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.187 -1.524 -6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.889 0.763 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.007 0.670 -6.848 1.00 0.00 H new ATOM 435 N GLU A 29 -3.448 -1.093 -3.242 1.00 0.00 N ATOM 436 CA GLU A 29 -4.234 -1.217 -2.016 1.00 0.00 C ATOM 437 C GLU A 29 -5.725 -1.278 -2.335 1.00 0.00 C ATOM 438 O GLU A 29 -6.471 -2.038 -1.718 1.00 0.00 O ATOM 439 CB GLU A 29 -3.954 -0.044 -1.075 1.00 0.00 C ATOM 440 CG GLU A 29 -4.431 -0.284 0.348 1.00 0.00 C ATOM 441 CD GLU A 29 -3.766 -1.484 0.992 1.00 0.00 C ATOM 442 OE1 GLU A 29 -2.599 -1.359 1.419 1.00 0.00 O ATOM 443 OE2 GLU A 29 -4.411 -2.551 1.067 1.00 0.00 O ATOM 0 H GLU A 29 -2.873 -0.252 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.941 -2.144 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.882 0.154 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.439 0.850 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.231 0.603 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.511 -0.430 0.345 1.00 0.00 H new ATOM 450 N LYS A 30 -6.151 -0.469 -3.301 1.00 0.00 N ATOM 451 CA LYS A 30 -7.551 -0.428 -3.707 1.00 0.00 C ATOM 452 C LYS A 30 -7.973 -1.763 -4.312 1.00 0.00 C ATOM 453 O LYS A 30 -9.109 -2.204 -4.141 1.00 0.00 O ATOM 454 CB LYS A 30 -7.772 0.707 -4.713 1.00 0.00 C ATOM 455 CG LYS A 30 -9.233 0.948 -5.066 1.00 0.00 C ATOM 456 CD LYS A 30 -9.672 0.103 -6.251 1.00 0.00 C ATOM 457 CE LYS A 30 -11.106 0.408 -6.648 1.00 0.00 C ATOM 458 NZ LYS A 30 -11.280 1.835 -7.038 1.00 0.00 N ATOM 0 H LYS A 30 -5.545 0.168 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.165 -0.243 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.351 1.626 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.221 0.481 -5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.858 0.718 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.383 2.003 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.011 0.289 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.579 -0.954 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.398 -0.234 -7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.771 0.175 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.169 1.945 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.310 2.427 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.483 2.131 -7.636 1.00 0.00 H new ATOM 472 N GLU A 31 -7.046 -2.401 -5.020 1.00 0.00 N ATOM 473 CA GLU A 31 -7.313 -3.687 -5.652 1.00 0.00 C ATOM 474 C GLU A 31 -7.551 -4.769 -4.603 1.00 0.00 C ATOM 475 O GLU A 31 -8.592 -5.427 -4.600 1.00 0.00 O ATOM 476 CB GLU A 31 -6.140 -4.086 -6.550 1.00 0.00 C ATOM 477 CG GLU A 31 -6.353 -5.402 -7.281 1.00 0.00 C ATOM 478 CD GLU A 31 -5.140 -5.822 -8.089 1.00 0.00 C ATOM 479 OE1 GLU A 31 -4.997 -5.348 -9.236 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.334 -6.626 -7.575 1.00 0.00 O ATOM 0 H GLU A 31 -6.101 -2.047 -5.170 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.213 -3.588 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.969 -3.297 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.237 -4.159 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.591 -6.181 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.213 -5.310 -7.944 1.00 0.00 H new ATOM 487 N GLU A 32 -6.579 -4.945 -3.713 1.00 0.00 N ATOM 488 CA GLU A 32 -6.677 -5.950 -2.659 1.00 0.00 C ATOM 489 C GLU A 32 -7.905 -5.713 -1.786 1.00 0.00 C ATOM 490 O GLU A 32 -8.548 -6.661 -1.334 1.00 0.00 O ATOM 491 CB GLU A 32 -5.412 -5.940 -1.795 1.00 0.00 C ATOM 492 CG GLU A 32 -4.143 -6.262 -2.569 1.00 0.00 C ATOM 493 CD GLU A 32 -2.906 -6.250 -1.691 1.00 0.00 C ATOM 494 OE1 GLU A 32 -2.294 -5.171 -1.542 1.00 0.00 O ATOM 495 OE2 GLU A 32 -2.551 -7.320 -1.152 1.00 0.00 O ATOM 0 H GLU A 32 -5.714 -4.405 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.778 -6.926 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.306 -4.959 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.528 -6.663 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.244 -7.242 -3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.019 -5.538 -3.375 1.00 0.00 H new ATOM 502 N ARG A 33 -8.226 -4.444 -1.555 1.00 0.00 N ATOM 503 CA ARG A 33 -9.378 -4.084 -0.736 1.00 0.00 C ATOM 504 C ARG A 33 -10.672 -4.581 -1.373 1.00 0.00 C ATOM 505 O ARG A 33 -11.461 -5.282 -0.738 1.00 0.00 O ATOM 506 CB ARG A 33 -9.440 -2.567 -0.544 1.00 0.00 C ATOM 507 CG ARG A 33 -10.493 -2.121 0.458 1.00 0.00 C ATOM 508 CD ARG A 33 -10.599 -0.606 0.515 1.00 0.00 C ATOM 509 NE ARG A 33 -11.125 -0.050 -0.729 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.420 1.235 -0.897 1.00 0.00 C ATOM 511 NH1 ARG A 33 -11.234 2.099 0.093 1.00 0.00 N ATOM 512 NH2 ARG A 33 -11.900 1.660 -2.059 1.00 0.00 N ATOM 0 H ARG A 33 -7.705 -3.648 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.265 -4.561 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.464 -2.211 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.643 -2.096 -1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.459 -2.545 0.185 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.243 -2.507 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.246 -0.318 1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.616 -0.180 0.716 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.274 -0.684 -1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.863 1.778 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.462 3.084 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.043 1.000 -2.824 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.126 2.646 -2.187 1.00 0.00 H new ATOM 526 N ASP A 34 -10.883 -4.215 -2.635 1.00 0.00 N ATOM 527 CA ASP A 34 -12.082 -4.620 -3.362 1.00 0.00 C ATOM 528 C ASP A 34 -12.196 -6.140 -3.424 1.00 0.00 C ATOM 529 O ASP A 34 -13.295 -6.692 -3.369 1.00 0.00 O ATOM 530 CB ASP A 34 -12.063 -4.044 -4.779 1.00 0.00 C ATOM 531 CG ASP A 34 -13.328 -4.363 -5.551 1.00 0.00 C ATOM 532 OD1 ASP A 34 -13.372 -5.425 -6.207 1.00 0.00 O ATOM 533 OD2 ASP A 34 -14.275 -3.551 -5.500 1.00 0.00 O ATOM 0 H ASP A 34 -10.238 -3.638 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.948 -4.230 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.936 -2.963 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.202 -4.441 -5.318 1.00 0.00 H new ATOM 538 N THR A 35 -11.052 -6.809 -3.535 1.00 0.00 N ATOM 539 CA THR A 35 -11.021 -8.264 -3.607 1.00 0.00 C ATOM 540 C THR A 35 -11.573 -8.892 -2.331 1.00 0.00 C ATOM 541 O THR A 35 -12.463 -9.743 -2.381 1.00 0.00 O ATOM 542 CB THR A 35 -9.590 -8.781 -3.845 1.00 0.00 C ATOM 543 OG1 THR A 35 -9.019 -8.130 -4.986 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.586 -10.286 -4.062 1.00 0.00 C ATOM 0 H THR A 35 -10.135 -6.365 -3.577 1.00 0.00 H new ATOM 0 HA THR A 35 -11.650 -8.553 -4.449 1.00 0.00 H new ATOM 0 HB THR A 35 -8.995 -8.556 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.805 -7.201 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.564 -10.627 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.996 -10.782 -3.182 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.196 -10.530 -4.932 1.00 0.00 H new ATOM 552 N CYS A 36 -11.042 -8.465 -1.189 1.00 0.00 N ATOM 553 CA CYS A 36 -11.480 -8.984 0.101 1.00 0.00 C ATOM 554 C CYS A 36 -12.968 -8.719 0.317 1.00 0.00 C ATOM 555 O CYS A 36 -13.689 -9.567 0.842 1.00 0.00 O ATOM 556 CB CYS A 36 -10.667 -8.354 1.232 1.00 0.00 C ATOM 557 SG CYS A 36 -11.046 -9.018 2.870 1.00 0.00 S ATOM 0 H CYS A 36 -10.307 -7.760 -1.132 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.317 -10.062 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.606 -8.501 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.844 -7.279 1.237 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.170 -8.585 3.727 1.00 0.00 H new ATOM 563 N ILE A 37 -13.418 -7.537 -0.091 1.00 0.00 N ATOM 564 CA ILE A 37 -14.820 -7.162 0.054 1.00 0.00 C ATOM 565 C ILE A 37 -15.700 -7.990 -0.879 1.00 0.00 C ATOM 566 O ILE A 37 -16.869 -8.243 -0.586 1.00 0.00 O ATOM 567 CB ILE A 37 -15.034 -5.662 -0.239 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.201 -4.812 0.723 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.509 -5.300 -0.132 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.200 -3.336 0.385 1.00 0.00 C ATOM 0 H ILE A 37 -12.833 -6.823 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.103 -7.360 1.088 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.706 -5.457 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.584 -4.944 1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.174 -5.177 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -16.639 -4.238 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.080 -5.885 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -16.865 -5.517 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.589 -2.797 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.789 -3.192 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.221 -2.955 0.416 1.00 0.00 H new ATOM 582 N LEU A 38 -15.129 -8.412 -2.002 1.00 0.00 N ATOM 583 CA LEU A 38 -15.861 -9.212 -2.977 1.00 0.00 C ATOM 584 C LEU A 38 -16.148 -10.608 -2.426 1.00 0.00 C ATOM 585 O LEU A 38 -17.287 -11.074 -2.457 1.00 0.00 O ATOM 586 CB LEU A 38 -15.061 -9.314 -4.283 1.00 0.00 C ATOM 587 CG LEU A 38 -15.886 -9.527 -5.560 1.00 0.00 C ATOM 588 CD1 LEU A 38 -16.622 -10.859 -5.518 1.00 0.00 C ATOM 589 CD2 LEU A 38 -16.866 -8.381 -5.760 1.00 0.00 C ATOM 0 H LEU A 38 -14.162 -8.214 -2.259 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.812 -8.721 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.475 -8.402 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.353 -10.138 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.200 -9.547 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.199 -10.985 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.900 -11.671 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.295 -10.876 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.442 -8.549 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.543 -8.328 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.317 -7.443 -5.846 1.00 0.00 H new ATOM 601 N PHE A 39 -15.109 -11.265 -1.920 1.00 0.00 N ATOM 602 CA PHE A 39 -15.248 -12.610 -1.367 1.00 0.00 C ATOM 603 C PHE A 39 -16.048 -12.606 -0.066 1.00 0.00 C ATOM 604 O PHE A 39 -17.104 -13.233 0.024 1.00 0.00 O ATOM 605 CB PHE A 39 -13.871 -13.236 -1.127 1.00 0.00 C ATOM 606 CG PHE A 39 -13.155 -13.625 -2.389 1.00 0.00 C ATOM 607 CD1 PHE A 39 -13.601 -14.695 -3.151 1.00 0.00 C ATOM 608 CD2 PHE A 39 -12.038 -12.925 -2.814 1.00 0.00 C ATOM 609 CE1 PHE A 39 -12.946 -15.057 -4.313 1.00 0.00 C ATOM 610 CE2 PHE A 39 -11.379 -13.283 -3.975 1.00 0.00 C ATOM 611 CZ PHE A 39 -11.833 -14.350 -4.725 1.00 0.00 C ATOM 0 H PHE A 39 -14.162 -10.889 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 39 -15.794 -13.207 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.253 -12.530 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.988 -14.119 -0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -14.470 -15.252 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -11.678 -12.090 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.304 -15.891 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.509 -12.729 -4.296 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.319 -14.631 -5.632 1.00 0.00 H new ATOM 621 N ASN A 40 -15.543 -11.894 0.937 1.00 0.00 N ATOM 622 CA ASN A 40 -16.206 -11.825 2.238 1.00 0.00 C ATOM 623 C ASN A 40 -17.555 -11.120 2.141 1.00 0.00 C ATOM 624 O ASN A 40 -18.592 -11.701 2.465 1.00 0.00 O ATOM 625 CB ASN A 40 -15.314 -11.106 3.250 1.00 0.00 C ATOM 626 CG ASN A 40 -14.059 -11.893 3.576 1.00 0.00 C ATOM 627 OD1 ASN A 40 -14.050 -13.123 3.513 1.00 0.00 O ATOM 628 ND2 ASN A 40 -12.993 -11.187 3.931 1.00 0.00 N ATOM 0 H ASN A 40 -14.678 -11.357 0.875 1.00 0.00 H new ATOM 0 HA ASN A 40 -16.382 -12.847 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -15.035 -10.129 2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.877 -10.930 4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -12.121 -11.662 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -13.045 -10.169 3.970 1.00 0.00 H new ATOM 635 N GLY A 41 -17.541 -9.867 1.696 1.00 0.00 N ATOM 636 CA GLY A 41 -18.775 -9.112 1.569 1.00 0.00 C ATOM 637 C GLY A 41 -18.679 -7.726 2.175 1.00 0.00 C ATOM 638 O GLY A 41 -17.652 -7.360 2.748 1.00 0.00 O ATOM 0 H GLY A 41 -16.699 -9.362 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -19.036 -9.025 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.583 -9.660 2.053 1.00 0.00 H new ATOM 642 N GLN A 42 -19.753 -6.952 2.048 1.00 0.00 N ATOM 643 CA GLN A 42 -19.791 -5.595 2.584 1.00 0.00 C ATOM 644 C GLN A 42 -19.903 -5.613 4.106 1.00 0.00 C ATOM 645 O GLN A 42 -20.576 -6.472 4.677 1.00 0.00 O ATOM 646 CB GLN A 42 -20.967 -4.818 1.986 1.00 0.00 C ATOM 647 CG GLN A 42 -20.872 -4.625 0.480 1.00 0.00 C ATOM 648 CD GLN A 42 -19.703 -3.749 0.077 1.00 0.00 C ATOM 649 OE1 GLN A 42 -19.289 -2.863 0.824 1.00 0.00 O ATOM 650 NE2 GLN A 42 -19.164 -3.990 -1.113 1.00 0.00 N ATOM 0 H GLN A 42 -20.610 -7.242 1.578 1.00 0.00 H new ATOM 0 HA GLN A 42 -18.860 -5.099 2.311 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -21.893 -5.344 2.218 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -21.026 -3.841 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.775 -5.598 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -21.798 -4.180 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -19.538 -4.735 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -18.376 -3.430 -1.439 1.00 0.00 H new ATOM 659 N ASP A 43 -19.238 -4.659 4.753 1.00 0.00 N ATOM 660 CA ASP A 43 -19.259 -4.554 6.210 1.00 0.00 C ATOM 661 C ASP A 43 -18.733 -5.830 6.862 1.00 0.00 C ATOM 662 O ASP A 43 -19.462 -6.810 7.010 1.00 0.00 O ATOM 663 CB ASP A 43 -20.678 -4.260 6.705 1.00 0.00 C ATOM 664 CG ASP A 43 -21.202 -2.926 6.207 1.00 0.00 C ATOM 665 OD1 ASP A 43 -20.977 -1.907 6.892 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.837 -2.902 5.132 1.00 0.00 O ATOM 0 H ASP A 43 -18.676 -3.945 4.289 1.00 0.00 H new ATOM 0 HA ASP A 43 -18.605 -3.730 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.346 -5.055 6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -20.688 -4.267 7.795 1.00 0.00 H new ATOM 671 N SER A 44 -17.461 -5.810 7.247 1.00 0.00 N ATOM 672 CA SER A 44 -16.835 -6.966 7.882 1.00 0.00 C ATOM 673 C SER A 44 -15.544 -6.567 8.590 1.00 0.00 C ATOM 674 O SER A 44 -14.808 -5.702 8.118 1.00 0.00 O ATOM 675 CB SER A 44 -16.544 -8.048 6.841 1.00 0.00 C ATOM 676 OG SER A 44 -15.944 -9.183 7.439 1.00 0.00 O ATOM 0 H SER A 44 -16.843 -5.007 7.131 1.00 0.00 H new ATOM 0 HA SER A 44 -17.528 -7.360 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.471 -8.340 6.347 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.885 -7.648 6.071 1.00 0.00 H new ATOM 0 HG SER A 44 -15.770 -9.861 6.753 1.00 0.00 H new ATOM 682 N GLU A 45 -15.277 -7.206 9.727 1.00 0.00 N ATOM 683 CA GLU A 45 -14.074 -6.919 10.499 1.00 0.00 C ATOM 684 C GLU A 45 -12.865 -7.635 9.906 1.00 0.00 C ATOM 685 O GLU A 45 -11.762 -7.566 10.448 1.00 0.00 O ATOM 686 CB GLU A 45 -14.263 -7.344 11.957 1.00 0.00 C ATOM 687 CG GLU A 45 -15.422 -6.647 12.650 1.00 0.00 C ATOM 688 CD GLU A 45 -15.550 -7.045 14.107 1.00 0.00 C ATOM 689 OE1 GLU A 45 -14.891 -6.406 14.956 1.00 0.00 O ATOM 690 OE2 GLU A 45 -16.309 -7.992 14.400 1.00 0.00 O ATOM 0 H GLU A 45 -15.877 -7.924 10.132 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.896 -5.844 10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.423 -8.421 11.994 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.345 -7.139 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.286 -5.568 12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.349 -6.885 12.129 1.00 0.00 H new ATOM 697 N LYS A 46 -13.081 -8.321 8.789 1.00 0.00 N ATOM 698 CA LYS A 46 -12.011 -9.052 8.121 1.00 0.00 C ATOM 699 C LYS A 46 -11.468 -8.267 6.929 1.00 0.00 C ATOM 700 O LYS A 46 -10.398 -8.581 6.407 1.00 0.00 O ATOM 701 CB LYS A 46 -12.513 -10.419 7.659 1.00 0.00 C ATOM 702 CG LYS A 46 -12.995 -11.305 8.795 1.00 0.00 C ATOM 703 CD LYS A 46 -13.321 -12.704 8.302 1.00 0.00 C ATOM 704 CE LYS A 46 -13.909 -13.563 9.410 1.00 0.00 C ATOM 705 NZ LYS A 46 -14.302 -14.911 8.915 1.00 0.00 N ATOM 0 H LYS A 46 -13.988 -8.386 8.327 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.201 -9.190 8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.328 -10.277 6.949 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.711 -10.930 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.228 -11.359 9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -13.880 -10.863 9.254 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.027 -12.644 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -12.417 -13.175 7.916 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.180 -13.669 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.780 -13.063 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.699 -15.467 9.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.016 -14.811 8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.466 -15.398 8.533 1.00 0.00 H new ATOM 719 N CYS A 47 -12.211 -7.250 6.501 1.00 0.00 N ATOM 720 CA CYS A 47 -11.798 -6.428 5.369 1.00 0.00 C ATOM 721 C CYS A 47 -11.564 -4.981 5.791 1.00 0.00 C ATOM 722 O CYS A 47 -11.177 -4.144 4.975 1.00 0.00 O ATOM 723 CB CYS A 47 -12.853 -6.477 4.262 1.00 0.00 C ATOM 724 SG CYS A 47 -14.475 -5.855 4.760 1.00 0.00 S ATOM 0 H CYS A 47 -13.100 -6.976 6.920 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.859 -6.833 4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -12.498 -5.895 3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.960 -7.507 3.922 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.547 -5.820 6.058 1.00 0.00 H new ATOM 730 N LYS A 48 -11.800 -4.689 7.067 1.00 0.00 N ATOM 731 CA LYS A 48 -11.613 -3.338 7.583 1.00 0.00 C ATOM 732 C LYS A 48 -10.138 -2.949 7.577 1.00 0.00 C ATOM 733 O LYS A 48 -9.796 -1.771 7.670 1.00 0.00 O ATOM 734 CB LYS A 48 -12.180 -3.219 8.999 1.00 0.00 C ATOM 735 CG LYS A 48 -11.515 -4.145 10.005 1.00 0.00 C ATOM 736 CD LYS A 48 -12.091 -3.961 11.402 1.00 0.00 C ATOM 737 CE LYS A 48 -11.764 -2.589 11.968 1.00 0.00 C ATOM 738 NZ LYS A 48 -12.369 -2.385 13.314 1.00 0.00 N ATOM 0 H LYS A 48 -12.120 -5.367 7.759 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.153 -2.654 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.070 -2.189 9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.248 -3.434 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.647 -5.180 9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.442 -3.952 10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.172 -4.093 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.695 -4.732 12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.682 -2.472 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.126 -1.819 11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.123 -1.438 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.403 -2.471 13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.004 -3.104 13.971 1.00 0.00 H new ATOM 752 N GLU A 49 -9.266 -3.947 7.466 1.00 0.00 N ATOM 753 CA GLU A 49 -7.827 -3.706 7.448 1.00 0.00 C ATOM 754 C GLU A 49 -7.414 -2.961 6.183 1.00 0.00 C ATOM 755 O GLU A 49 -6.676 -1.980 6.242 1.00 0.00 O ATOM 756 CB GLU A 49 -7.065 -5.027 7.542 1.00 0.00 C ATOM 757 CG GLU A 49 -7.365 -5.816 8.806 1.00 0.00 C ATOM 758 CD GLU A 49 -6.972 -5.070 10.066 1.00 0.00 C ATOM 759 OE1 GLU A 49 -5.812 -5.215 10.506 1.00 0.00 O ATOM 760 OE2 GLU A 49 -7.825 -4.338 10.612 1.00 0.00 O ATOM 0 H GLU A 49 -9.530 -4.929 7.387 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.580 -3.088 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.310 -5.640 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.995 -4.823 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.430 -6.047 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.834 -6.767 8.771 1.00 0.00 H new ATOM 767 N PHE A 50 -7.897 -3.437 5.039 1.00 0.00 N ATOM 768 CA PHE A 50 -7.578 -2.823 3.756 1.00 0.00 C ATOM 769 C PHE A 50 -8.215 -1.442 3.630 1.00 0.00 C ATOM 770 O PHE A 50 -7.659 -0.549 2.989 1.00 0.00 O ATOM 771 CB PHE A 50 -8.052 -3.717 2.609 1.00 0.00 C ATOM 772 CG PHE A 50 -7.433 -5.085 2.615 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.151 -5.281 2.127 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.134 -6.174 3.108 1.00 0.00 C ATOM 775 CE1 PHE A 50 -5.579 -6.539 2.131 1.00 0.00 C ATOM 776 CE2 PHE A 50 -7.567 -7.434 3.115 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.287 -7.617 2.626 1.00 0.00 C ATOM 0 H PHE A 50 -8.512 -4.248 4.975 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.495 -2.708 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.136 -3.818 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.824 -3.229 1.661 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.593 -4.442 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.134 -6.036 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.579 -6.679 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.123 -8.275 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.841 -8.601 2.631 1.00 0.00 H new ATOM 787 N ILE A 51 -9.381 -1.273 4.244 1.00 0.00 N ATOM 788 CA ILE A 51 -10.094 -0.001 4.193 1.00 0.00 C ATOM 789 C ILE A 51 -9.346 1.084 4.961 1.00 0.00 C ATOM 790 O ILE A 51 -9.071 2.158 4.425 1.00 0.00 O ATOM 791 CB ILE A 51 -11.520 -0.134 4.763 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.282 -1.242 4.029 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.261 1.192 4.650 1.00 0.00 C ATOM 794 CD1 ILE A 51 -13.653 -1.520 4.606 1.00 0.00 C ATOM 0 H ILE A 51 -9.852 -2.000 4.782 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.156 0.284 3.143 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.453 -0.401 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.388 -0.965 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.692 -2.158 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.266 1.083 5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.724 1.958 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.323 1.486 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.133 -2.315 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.554 -1.828 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.261 -0.617 4.551 1.00 0.00 H new ATOM 806 N GLU A 52 -9.020 0.799 6.219 1.00 0.00 N ATOM 807 CA GLU A 52 -8.304 1.754 7.057 1.00 0.00 C ATOM 808 C GLU A 52 -6.899 2.010 6.520 1.00 0.00 C ATOM 809 O GLU A 52 -6.403 3.135 6.569 1.00 0.00 O ATOM 810 CB GLU A 52 -8.226 1.244 8.498 1.00 0.00 C ATOM 811 CG GLU A 52 -9.585 1.054 9.152 1.00 0.00 C ATOM 812 CD GLU A 52 -10.391 2.336 9.205 1.00 0.00 C ATOM 813 OE1 GLU A 52 -10.259 3.081 10.199 1.00 0.00 O ATOM 814 OE2 GLU A 52 -11.155 2.597 8.252 1.00 0.00 O ATOM 0 H GLU A 52 -9.240 -0.084 6.679 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.855 2.694 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.691 0.295 8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.642 1.947 9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.146 0.299 8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.447 0.674 10.164 1.00 0.00 H new ATOM 821 N LYS A 53 -6.263 0.959 6.009 1.00 0.00 N ATOM 822 CA LYS A 53 -4.914 1.070 5.464 1.00 0.00 C ATOM 823 C LYS A 53 -4.883 2.014 4.264 1.00 0.00 C ATOM 824 O LYS A 53 -4.030 2.896 4.178 1.00 0.00 O ATOM 825 CB LYS A 53 -4.393 -0.308 5.060 1.00 0.00 C ATOM 826 CG LYS A 53 -3.053 -0.276 4.336 1.00 0.00 C ATOM 827 CD LYS A 53 -1.924 0.182 5.248 1.00 0.00 C ATOM 828 CE LYS A 53 -1.682 -0.804 6.380 1.00 0.00 C ATOM 829 NZ LYS A 53 -0.515 -0.414 7.218 1.00 0.00 N ATOM 0 H LYS A 53 -6.661 0.021 5.961 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.269 1.483 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.297 -0.925 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.130 -0.790 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.826 -1.269 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.120 0.393 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.010 0.299 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.165 1.161 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.573 -0.865 7.005 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.515 -1.798 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.384 -1.112 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.341 -0.381 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.685 0.524 7.635 1.00 0.00 H new ATOM 843 N TYR A 54 -5.819 1.818 3.343 1.00 0.00 N ATOM 844 CA TYR A 54 -5.902 2.648 2.146 1.00 0.00 C ATOM 845 C TYR A 54 -6.325 4.073 2.495 1.00 0.00 C ATOM 846 O TYR A 54 -5.909 5.033 1.846 1.00 0.00 O ATOM 847 CB TYR A 54 -6.894 2.041 1.152 1.00 0.00 C ATOM 848 CG TYR A 54 -7.055 2.850 -0.115 1.00 0.00 C ATOM 849 CD1 TYR A 54 -5.996 3.004 -1.001 1.00 0.00 C ATOM 850 CD2 TYR A 54 -8.263 3.461 -0.423 1.00 0.00 C ATOM 851 CE1 TYR A 54 -6.137 3.744 -2.159 1.00 0.00 C ATOM 852 CE2 TYR A 54 -8.412 4.204 -1.579 1.00 0.00 C ATOM 853 CZ TYR A 54 -7.346 4.342 -2.443 1.00 0.00 C ATOM 854 OH TYR A 54 -7.491 5.081 -3.594 1.00 0.00 O ATOM 0 H TYR A 54 -6.532 1.091 3.402 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.912 2.685 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.564 1.035 0.891 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.866 1.943 1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.047 2.538 -0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.100 3.354 0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.304 3.853 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.358 4.674 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.404 5.433 -3.644 1.00 0.00 H new ATOM 864 N LYS A 55 -7.153 4.200 3.527 1.00 0.00 N ATOM 865 CA LYS A 55 -7.646 5.503 3.962 1.00 0.00 C ATOM 866 C LYS A 55 -6.518 6.364 4.522 1.00 0.00 C ATOM 867 O LYS A 55 -6.376 7.530 4.155 1.00 0.00 O ATOM 868 CB LYS A 55 -8.743 5.328 5.012 1.00 0.00 C ATOM 869 CG LYS A 55 -9.407 6.631 5.424 1.00 0.00 C ATOM 870 CD LYS A 55 -10.600 6.382 6.332 1.00 0.00 C ATOM 871 CE LYS A 55 -11.320 7.676 6.674 1.00 0.00 C ATOM 872 NZ LYS A 55 -11.727 8.429 5.455 1.00 0.00 N ATOM 0 H LYS A 55 -7.498 3.415 4.079 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.060 6.013 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.503 4.651 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.316 4.853 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.683 7.264 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.731 7.173 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.293 5.697 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.265 5.897 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.203 7.452 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.670 8.301 7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.651 8.877 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.019 9.161 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.796 7.775 4.650 1.00 0.00 H new ATOM 886 N GLU A 56 -5.721 5.785 5.414 1.00 0.00 N ATOM 887 CA GLU A 56 -4.611 6.507 6.025 1.00 0.00 C ATOM 888 C GLU A 56 -3.520 6.798 4.998 1.00 0.00 C ATOM 889 O GLU A 56 -2.936 7.884 4.989 1.00 0.00 O ATOM 890 CB GLU A 56 -4.033 5.704 7.194 1.00 0.00 C ATOM 891 CG GLU A 56 -3.465 4.353 6.789 1.00 0.00 C ATOM 892 CD GLU A 56 -2.915 3.574 7.967 1.00 0.00 C ATOM 893 OE1 GLU A 56 -1.721 3.751 8.290 1.00 0.00 O ATOM 894 OE2 GLU A 56 -3.676 2.784 8.565 1.00 0.00 O ATOM 0 H GLU A 56 -5.823 4.820 5.729 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.990 7.457 6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.247 6.290 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.814 5.551 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.245 3.767 6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.673 4.501 6.055 1.00 0.00 H new ATOM 901 N CYS A 57 -3.252 5.824 4.133 1.00 0.00 N ATOM 902 CA CYS A 57 -2.232 5.975 3.103 1.00 0.00 C ATOM 903 C CYS A 57 -2.569 7.133 2.170 1.00 0.00 C ATOM 904 O CYS A 57 -1.696 7.911 1.787 1.00 0.00 O ATOM 905 CB CYS A 57 -2.093 4.682 2.299 1.00 0.00 C ATOM 906 SG CYS A 57 -0.805 4.738 1.032 1.00 0.00 S ATOM 0 H CYS A 57 -3.728 4.922 4.126 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.284 6.192 3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.879 3.862 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.047 4.458 1.822 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.893 3.684 0.277 1.00 0.00 H new ATOM 912 N MET A 58 -3.845 7.240 1.807 1.00 0.00 N ATOM 913 CA MET A 58 -4.301 8.304 0.921 1.00 0.00 C ATOM 914 C MET A 58 -4.293 9.648 1.643 1.00 0.00 C ATOM 915 O MET A 58 -3.853 10.656 1.093 1.00 0.00 O ATOM 916 CB MET A 58 -5.708 7.993 0.402 1.00 0.00 C ATOM 917 CG MET A 58 -6.136 8.869 -0.766 1.00 0.00 C ATOM 918 SD MET A 58 -6.562 10.547 -0.262 1.00 0.00 S ATOM 919 CE MET A 58 -6.532 11.386 -1.842 1.00 0.00 C ATOM 0 H MET A 58 -4.580 6.602 2.113 1.00 0.00 H new ATOM 0 HA MET A 58 -3.616 8.363 0.075 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.750 6.948 0.095 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.422 8.115 1.217 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.330 8.908 -1.499 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.994 8.414 -1.260 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.994 12.368 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.500 11.503 -2.173 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.084 10.799 -2.576 1.00 0.00 H new ATOM 929 N LYS A 59 -4.780 9.654 2.881 1.00 0.00 N ATOM 930 CA LYS A 59 -4.831 10.875 3.678 1.00 0.00 C ATOM 931 C LYS A 59 -3.431 11.434 3.909 1.00 0.00 C ATOM 932 O LYS A 59 -3.254 12.639 4.081 1.00 0.00 O ATOM 933 CB LYS A 59 -5.518 10.608 5.019 1.00 0.00 C ATOM 934 CG LYS A 59 -5.720 11.859 5.861 1.00 0.00 C ATOM 935 CD LYS A 59 -6.555 11.570 7.098 1.00 0.00 C ATOM 936 CE LYS A 59 -6.794 12.828 7.917 1.00 0.00 C ATOM 937 NZ LYS A 59 -7.692 12.575 9.078 1.00 0.00 N ATOM 0 H LYS A 59 -5.145 8.827 3.353 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.410 11.615 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.487 10.144 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.924 9.891 5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.751 12.258 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.209 12.627 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.512 11.142 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.050 10.825 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.840 13.215 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.232 13.597 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.829 13.458 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.612 12.230 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.263 11.860 9.699 1.00 0.00 H new ATOM 951 N GLY A 60 -2.439 10.547 3.914 1.00 0.00 N ATOM 952 CA GLY A 60 -1.066 10.972 4.121 1.00 0.00 C ATOM 953 C GLY A 60 -0.592 11.937 3.054 1.00 0.00 C ATOM 954 O GLY A 60 0.000 12.971 3.360 1.00 0.00 O ATOM 0 H GLY A 60 -2.562 9.543 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.979 11.445 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.416 10.097 4.131 1.00 0.00 H new ATOM 958 N TYR A 61 -0.852 11.597 1.795 1.00 0.00 N ATOM 959 CA TYR A 61 -0.453 12.442 0.675 1.00 0.00 C ATOM 960 C TYR A 61 -1.588 13.379 0.276 1.00 0.00 C ATOM 961 O TYR A 61 -1.463 14.600 0.376 1.00 0.00 O ATOM 962 CB TYR A 61 -0.046 11.584 -0.525 1.00 0.00 C ATOM 963 CG TYR A 61 1.140 10.684 -0.258 1.00 0.00 C ATOM 964 CD1 TYR A 61 0.965 9.405 0.256 1.00 0.00 C ATOM 965 CD2 TYR A 61 2.434 11.113 -0.524 1.00 0.00 C ATOM 966 CE1 TYR A 61 2.047 8.580 0.497 1.00 0.00 C ATOM 967 CE2 TYR A 61 3.521 10.294 -0.286 1.00 0.00 C ATOM 968 CZ TYR A 61 3.322 9.029 0.225 1.00 0.00 C ATOM 969 OH TYR A 61 4.401 8.209 0.462 1.00 0.00 O ATOM 0 H TYR A 61 -1.338 10.742 1.525 1.00 0.00 H new ATOM 0 HA TYR A 61 0.402 13.040 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.895 10.971 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.188 12.238 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.032 9.050 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.593 12.104 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.895 7.588 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.521 10.643 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 61 5.227 8.676 0.216 1.00 0.00 H new ATOM 979 N GLY A 62 -2.694 12.795 -0.176 1.00 0.00 N ATOM 980 CA GLY A 62 -3.839 13.587 -0.587 1.00 0.00 C ATOM 981 C GLY A 62 -4.714 13.998 0.582 1.00 0.00 C ATOM 982 O GLY A 62 -4.249 14.665 1.508 1.00 0.00 O ATOM 0 H GLY A 62 -2.817 11.786 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.491 14.480 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.435 13.015 -1.299 1.00 0.00 H new ATOM 986 N PHE A 63 -5.982 13.601 0.540 1.00 0.00 N ATOM 987 CA PHE A 63 -6.924 13.934 1.603 1.00 0.00 C ATOM 988 C PHE A 63 -7.988 12.850 1.759 1.00 0.00 C ATOM 989 O PHE A 63 -8.788 12.615 0.854 1.00 0.00 O ATOM 990 CB PHE A 63 -7.584 15.289 1.325 1.00 0.00 C ATOM 991 CG PHE A 63 -8.213 15.392 -0.034 1.00 0.00 C ATOM 992 CD1 PHE A 63 -7.433 15.610 -1.156 1.00 0.00 C ATOM 993 CD2 PHE A 63 -9.584 15.274 -0.188 1.00 0.00 C ATOM 994 CE1 PHE A 63 -8.007 15.708 -2.409 1.00 0.00 C ATOM 995 CE2 PHE A 63 -10.166 15.372 -1.438 1.00 0.00 C ATOM 996 CZ PHE A 63 -9.376 15.589 -2.551 1.00 0.00 C ATOM 0 H PHE A 63 -6.381 13.048 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.367 13.997 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.346 15.473 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.836 16.075 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.362 15.705 -1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.206 15.103 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.386 15.877 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.237 15.279 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.828 15.665 -3.529 1.00 0.00 H new ATOM 1006 N GLU A 64 -7.983 12.194 2.921 1.00 0.00 N ATOM 1007 CA GLU A 64 -8.933 11.132 3.229 1.00 0.00 C ATOM 1008 C GLU A 64 -9.178 10.217 2.027 1.00 0.00 C ATOM 1009 O GLU A 64 -8.425 9.271 1.796 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.246 11.735 3.722 1.00 0.00 C ATOM 1011 CG GLU A 64 -10.087 12.622 4.946 1.00 0.00 C ATOM 1012 CD GLU A 64 -11.403 13.215 5.410 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -11.815 14.254 4.854 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -12.022 12.639 6.330 1.00 0.00 O ATOM 0 H GLU A 64 -7.320 12.386 3.672 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.501 10.516 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.693 12.318 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.941 10.929 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.648 12.041 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.390 13.428 4.718 1.00 0.00 H new ATOM 1021 N VAL A 65 -10.233 10.505 1.268 1.00 0.00 N ATOM 1022 CA VAL A 65 -10.576 9.710 0.096 1.00 0.00 C ATOM 1023 C VAL A 65 -10.860 10.608 -1.110 1.00 0.00 C ATOM 1024 O VAL A 65 -11.606 11.581 -0.998 1.00 0.00 O ATOM 1025 CB VAL A 65 -11.806 8.818 0.367 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -12.123 7.954 -0.844 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -11.579 7.955 1.600 1.00 0.00 C ATOM 0 H VAL A 65 -10.865 11.285 1.446 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.719 9.074 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.663 9.465 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.993 7.334 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.334 8.593 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.269 7.316 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.457 7.333 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.708 7.318 1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.409 8.595 2.466 1.00 0.00 H new ATOM 1037 N PRO A 66 -10.270 10.297 -2.283 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.471 11.093 -3.499 1.00 0.00 C ATOM 1039 C PRO A 66 -11.876 10.941 -4.072 1.00 0.00 C ATOM 1040 O PRO A 66 -12.394 9.830 -4.186 1.00 0.00 O ATOM 1041 CB PRO A 66 -9.433 10.528 -4.470 1.00 0.00 C ATOM 1042 CG PRO A 66 -9.208 9.129 -4.013 1.00 0.00 C ATOM 1043 CD PRO A 66 -9.369 9.151 -2.518 1.00 0.00 C ATOM 0 HA PRO A 66 -10.359 12.160 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.796 10.555 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.510 11.107 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.924 8.448 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.213 8.782 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.799 8.220 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.412 9.283 -2.014 1.00 0.00 H new ATOM 1051 N SER A 67 -12.486 12.067 -4.433 1.00 0.00 N ATOM 1052 CA SER A 67 -13.832 12.065 -4.998 1.00 0.00 C ATOM 1053 C SER A 67 -13.854 12.752 -6.359 1.00 0.00 C ATOM 1054 O SER A 67 -14.750 12.518 -7.170 1.00 0.00 O ATOM 1055 CB SER A 67 -14.808 12.762 -4.048 1.00 0.00 C ATOM 1056 OG SER A 67 -14.890 12.080 -2.809 1.00 0.00 O ATOM 0 H SER A 67 -12.069 12.993 -4.344 1.00 0.00 H new ATOM 0 HA SER A 67 -14.140 11.028 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.485 13.790 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.796 12.809 -4.507 1.00 0.00 H new ATOM 0 HG SER A 67 -15.519 12.547 -2.220 1.00 0.00 H new ATOM 1062 N ALA A 68 -12.860 13.601 -6.604 1.00 0.00 N ATOM 1063 CA ALA A 68 -12.763 14.324 -7.866 1.00 0.00 C ATOM 1064 C ALA A 68 -11.307 14.588 -8.234 1.00 0.00 C ATOM 1065 O ALA A 68 -10.859 14.240 -9.327 1.00 0.00 O ATOM 1066 CB ALA A 68 -13.536 15.633 -7.783 1.00 0.00 C ATOM 0 H ALA A 68 -12.110 13.805 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.202 13.705 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.456 16.164 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -14.585 15.424 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -13.122 16.250 -6.986 1.00 0.00 H new ATOM 1072 N ASN A 69 -10.574 15.205 -7.314 1.00 0.00 N ATOM 1073 CA ASN A 69 -9.168 15.519 -7.539 1.00 0.00 C ATOM 1074 C ASN A 69 -8.266 14.587 -6.733 1.00 0.00 C ATOM 1075 O ASN A 69 -7.839 13.553 -7.289 1.00 0.00 O ATOM 1076 CB ASN A 69 -8.882 16.974 -7.163 1.00 0.00 C ATOM 1077 CG ASN A 69 -9.687 17.956 -7.994 1.00 0.00 C ATOM 1078 OD1 ASN A 69 -10.834 18.265 -7.670 1.00 0.00 O ATOM 1079 ND2 ASN A 69 -9.086 18.456 -9.067 1.00 0.00 N ATOM 1080 OXT ASN A 69 -7.998 14.897 -5.553 1.00 0.00 O ATOM 0 H ASN A 69 -10.931 15.498 -6.404 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.955 15.376 -8.598 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.108 17.125 -6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.819 17.178 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.576 19.125 -9.661 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.134 18.171 -9.297 1.00 0.00 H new TER 1087 ASN A 69