USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 50 THR OG1 : rot 150:sc= -0.0841 USER MOD Set 1.2: A 52 ASN : amide:sc= -0.228 K(o=-0.31,f=-1.6!) USER MOD Set 2.1: A 9 ASN : amide:sc= -1.93! C(o=-2!,f=-6.5!) USER MOD Set 2.2: A 11 SER OG : rot 94:sc= -0.0253 USER MOD Single : A 0 SER OG : rot 49:sc= 0.394 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -2.4! C(o=-2.4!,f=-3.5!) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.493) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.56! C(o=-2.6!,f=-3.8!) USER MOD Single : A 29 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= -0.645 K(o=-0.65,f=-2.9!) USER MOD Single : A 34 ASN : amide:sc= 0.303 X(o=0.3,f=-0.0065) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -96:sc= 0.635 USER MOD Single : A 41 ASN : amide:sc= -3.29! K(o=-3.3!,f=-2.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.059) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -1.16 (180deg=-1.2) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 77:sc= 0.143 USER MOD Single : A 57 GLN : amide:sc= -7.32! C(o=-7.3!,f=-6.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.106 K(o=0.11,f=-0.78) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -17.742 12.043 -10.988 1.00 0.00 N ATOM 2 CA GLY A -1 -17.029 12.861 -9.966 1.00 0.00 C ATOM 3 C GLY A -1 -16.636 11.973 -8.783 1.00 0.00 C ATOM 4 O GLY A -1 -17.130 12.148 -7.670 1.00 0.00 O ATOM 0 H1 GLY A -1 -18.009 12.647 -11.792 1.00 0.00 H new ATOM 0 H2 GLY A -1 -17.117 11.281 -11.320 1.00 0.00 H new ATOM 0 H3 GLY A -1 -18.598 11.630 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -16.140 13.315 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -17.669 13.675 -9.626 1.00 0.00 H new ATOM 10 N SER A 0 -15.748 11.023 -9.032 1.00 0.00 N ATOM 11 CA SER A 0 -15.301 10.119 -7.984 1.00 0.00 C ATOM 12 C SER A 0 -13.907 9.584 -8.315 1.00 0.00 C ATOM 13 O SER A 0 -13.758 8.645 -9.097 1.00 0.00 O ATOM 14 CB SER A 0 -16.285 8.961 -7.857 1.00 0.00 C ATOM 15 OG SER A 0 -16.555 8.431 -9.147 1.00 0.00 O ATOM 0 H SER A 0 -15.325 10.858 -9.945 1.00 0.00 H new ATOM 0 HA SER A 0 -15.255 10.659 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 0 -15.871 8.186 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 0 -17.209 9.303 -7.391 1.00 0.00 H new ATOM 0 HG SER A 0 -15.711 8.270 -9.618 1.00 0.00 H new ATOM 21 N MET A 1 -12.890 10.191 -7.723 1.00 0.00 N ATOM 22 CA MET A 1 -11.520 9.768 -7.969 1.00 0.00 C ATOM 23 C MET A 1 -10.883 9.267 -6.671 1.00 0.00 C ATOM 24 O MET A 1 -10.463 8.115 -6.575 1.00 0.00 O ATOM 25 CB MET A 1 -10.709 10.937 -8.517 1.00 0.00 C ATOM 26 CG MET A 1 -11.335 11.429 -9.818 1.00 0.00 C ATOM 27 SD MET A 1 -10.364 12.810 -10.470 1.00 0.00 S ATOM 28 CE MET A 1 -11.366 13.117 -11.945 1.00 0.00 C ATOM 0 H MET A 1 -12.986 10.972 -7.074 1.00 0.00 H new ATOM 0 HA MET A 1 -11.527 8.958 -8.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.680 11.746 -7.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.679 10.628 -8.692 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.370 10.619 -10.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.364 11.744 -9.643 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.939 13.947 -12.508 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.378 12.223 -12.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.385 13.366 -11.648 1.00 0.00 H new ATOM 38 N ALA A 2 -10.813 10.140 -5.678 1.00 0.00 N ATOM 39 CA ALA A 2 -10.226 9.770 -4.399 1.00 0.00 C ATOM 40 C ALA A 2 -11.249 9.012 -3.557 1.00 0.00 C ATOM 41 O ALA A 2 -11.728 9.510 -2.541 1.00 0.00 O ATOM 42 CB ALA A 2 -9.774 11.022 -3.656 1.00 0.00 C ATOM 0 H ALA A 2 -11.152 11.101 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.364 9.127 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.335 10.739 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.031 11.551 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.632 11.672 -3.484 1.00 0.00 H new ATOM 48 N ASP A 3 -11.581 7.806 -3.989 1.00 0.00 N ATOM 49 CA ASP A 3 -12.549 6.994 -3.273 1.00 0.00 C ATOM 50 C ASP A 3 -11.846 6.159 -2.203 1.00 0.00 C ATOM 51 O ASP A 3 -12.318 6.049 -1.073 1.00 0.00 O ATOM 52 CB ASP A 3 -13.270 6.079 -4.256 1.00 0.00 C ATOM 53 CG ASP A 3 -13.916 6.917 -5.362 1.00 0.00 C ATOM 54 OD1 ASP A 3 -14.782 7.714 -5.044 1.00 0.00 O ATOM 55 OD2 ASP A 3 -13.528 6.753 -6.507 1.00 0.00 O ATOM 0 H ASP A 3 -11.196 7.370 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.275 7.646 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.566 5.368 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.031 5.498 -3.735 1.00 0.00 H new ATOM 60 N THR A 4 -10.714 5.577 -2.565 1.00 0.00 N ATOM 61 CA THR A 4 -9.958 4.761 -1.628 1.00 0.00 C ATOM 62 C THR A 4 -9.194 5.662 -0.654 1.00 0.00 C ATOM 63 O THR A 4 -8.916 6.823 -0.952 1.00 0.00 O ATOM 64 CB THR A 4 -8.979 3.869 -2.387 1.00 0.00 C ATOM 65 OG1 THR A 4 -8.381 2.950 -1.483 1.00 0.00 O ATOM 66 CG2 THR A 4 -7.893 4.725 -3.031 1.00 0.00 C ATOM 0 H THR A 4 -10.300 5.653 -3.494 1.00 0.00 H new ATOM 0 HA THR A 4 -10.648 4.132 -1.066 1.00 0.00 H new ATOM 0 HB THR A 4 -9.516 3.324 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.753 2.375 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.197 4.084 -3.571 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.350 5.431 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.355 5.273 -2.257 1.00 0.00 H new ATOM 74 N ARG A 5 -8.860 5.120 0.506 1.00 0.00 N ATOM 75 CA ARG A 5 -8.136 5.884 1.508 1.00 0.00 C ATOM 76 C ARG A 5 -6.636 5.611 1.397 1.00 0.00 C ATOM 77 O ARG A 5 -6.219 4.592 0.849 1.00 0.00 O ATOM 78 CB ARG A 5 -8.633 5.496 2.894 1.00 0.00 C ATOM 79 CG ARG A 5 -10.142 5.699 2.954 1.00 0.00 C ATOM 80 CD ARG A 5 -10.673 5.210 4.295 1.00 0.00 C ATOM 81 NE ARG A 5 -12.121 5.337 4.320 1.00 0.00 N ATOM 82 CZ ARG A 5 -12.830 4.983 5.386 1.00 0.00 C ATOM 83 NH1 ARG A 5 -12.234 4.505 6.450 1.00 0.00 N ATOM 84 NH2 ARG A 5 -14.131 5.113 5.371 1.00 0.00 N ATOM 0 H ARG A 5 -9.077 4.161 0.776 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.310 6.947 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.384 4.456 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.141 6.103 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.382 6.754 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.624 5.156 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.386 4.171 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.233 5.790 5.106 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.603 5.706 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.219 4.403 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.785 4.235 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.597 5.485 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.680 4.843 6.187 1.00 0.00 H new ATOM 98 N ARG A 6 -5.833 6.528 1.918 1.00 0.00 N ATOM 99 CA ARG A 6 -4.386 6.377 1.866 1.00 0.00 C ATOM 100 C ARG A 6 -3.747 6.890 3.157 1.00 0.00 C ATOM 101 O ARG A 6 -3.167 7.974 3.188 1.00 0.00 O ATOM 102 CB ARG A 6 -3.835 7.159 0.679 1.00 0.00 C ATOM 103 CG ARG A 6 -3.825 6.271 -0.560 1.00 0.00 C ATOM 104 CD ARG A 6 -4.171 7.107 -1.787 1.00 0.00 C ATOM 105 NE ARG A 6 -5.595 7.416 -1.784 1.00 0.00 N ATOM 106 CZ ARG A 6 -6.133 8.217 -2.698 1.00 0.00 C ATOM 107 NH1 ARG A 6 -5.384 8.766 -3.623 1.00 0.00 N ATOM 108 NH2 ARG A 6 -7.417 8.456 -2.673 1.00 0.00 N ATOM 0 H ARG A 6 -6.156 7.379 2.379 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.148 5.319 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.445 8.044 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.825 7.507 0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.844 5.812 -0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.544 5.460 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.589 8.029 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.909 6.564 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.192 7.009 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.381 8.579 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.804 9.380 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.001 8.029 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.835 9.070 -3.372 1.00 0.00 H new ATOM 122 N ARG A 7 -3.849 6.104 4.218 1.00 0.00 N ATOM 123 CA ARG A 7 -3.268 6.489 5.494 1.00 0.00 C ATOM 124 C ARG A 7 -1.757 6.253 5.452 1.00 0.00 C ATOM 125 O ARG A 7 -1.302 5.126 5.268 1.00 0.00 O ATOM 126 CB ARG A 7 -3.893 5.661 6.614 1.00 0.00 C ATOM 127 CG ARG A 7 -3.429 6.188 7.968 1.00 0.00 C ATOM 128 CD ARG A 7 -4.205 5.483 9.075 1.00 0.00 C ATOM 129 NE ARG A 7 -3.787 5.989 10.375 1.00 0.00 N ATOM 130 CZ ARG A 7 -4.352 5.560 11.500 1.00 0.00 C ATOM 131 NH1 ARG A 7 -5.310 4.667 11.465 1.00 0.00 N ATOM 132 NH2 ARG A 7 -3.948 6.034 12.651 1.00 0.00 N ATOM 0 H ARG A 7 -4.325 5.202 4.221 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.464 7.545 5.682 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.980 5.707 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.611 4.614 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.360 6.016 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.587 7.265 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.275 5.643 8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.035 4.408 9.022 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.045 6.687 10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.628 4.295 10.570 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.738 4.344 12.333 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.203 6.730 12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.378 5.708 13.516 1.00 0.00 H new ATOM 146 N GLN A 8 -0.985 7.319 5.606 1.00 0.00 N ATOM 147 CA GLN A 8 0.465 7.199 5.563 1.00 0.00 C ATOM 148 C GLN A 8 1.000 6.585 6.862 1.00 0.00 C ATOM 149 O GLN A 8 0.235 6.179 7.741 1.00 0.00 O ATOM 150 CB GLN A 8 1.098 8.572 5.344 1.00 0.00 C ATOM 151 CG GLN A 8 1.871 8.584 4.024 1.00 0.00 C ATOM 152 CD GLN A 8 2.850 7.406 3.972 1.00 0.00 C ATOM 153 OE1 GLN A 8 2.499 6.303 3.556 1.00 0.00 O ATOM 154 NE2 GLN A 8 4.069 7.594 4.400 1.00 0.00 N ATOM 0 H GLN A 8 -1.333 8.266 5.760 1.00 0.00 H new ATOM 0 HA GLN A 8 0.728 6.542 4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.325 9.340 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 8 1.768 8.809 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.176 8.525 3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.415 9.523 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.353 8.511 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.737 6.823 4.391 1.00 0.00 H new ATOM 163 N ASN A 9 2.321 6.532 6.974 1.00 0.00 N ATOM 164 CA ASN A 9 2.964 5.983 8.138 1.00 0.00 C ATOM 165 C ASN A 9 2.969 7.018 9.247 1.00 0.00 C ATOM 166 O ASN A 9 3.535 8.086 9.096 1.00 0.00 O ATOM 167 CB ASN A 9 4.404 5.629 7.792 1.00 0.00 C ATOM 168 CG ASN A 9 5.214 5.496 9.080 1.00 0.00 C ATOM 169 OD1 ASN A 9 5.432 4.400 9.590 1.00 0.00 O ATOM 170 ND2 ASN A 9 5.648 6.594 9.641 1.00 0.00 N ATOM 0 H ASN A 9 2.965 6.869 6.259 1.00 0.00 H new ATOM 0 HA ASN A 9 2.426 5.093 8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.436 4.695 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.837 6.400 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.175 6.547 10.513 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.460 7.497 9.207 1.00 0.00 H new ATOM 177 N HIS A 10 2.355 6.692 10.357 1.00 0.00 N ATOM 178 CA HIS A 10 2.326 7.605 11.481 1.00 0.00 C ATOM 179 C HIS A 10 3.410 7.231 12.494 1.00 0.00 C ATOM 180 O HIS A 10 3.733 8.007 13.393 1.00 0.00 O ATOM 181 CB HIS A 10 0.954 7.569 12.124 1.00 0.00 C ATOM 182 CG HIS A 10 0.015 8.376 11.271 1.00 0.00 C ATOM 183 ND1 HIS A 10 -0.625 7.844 10.158 1.00 0.00 N ATOM 184 CD2 HIS A 10 -0.378 9.688 11.340 1.00 0.00 C ATOM 185 CE1 HIS A 10 -1.365 8.826 9.609 1.00 0.00 C ATOM 186 NE2 HIS A 10 -1.249 9.973 10.295 1.00 0.00 N ATOM 0 H HIS A 10 1.870 5.808 10.510 1.00 0.00 H new ATOM 0 HA HIS A 10 2.525 8.618 11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.601 6.541 12.210 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.996 7.977 13.134 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.059 10.393 12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.976 8.705 8.726 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.703 10.864 10.093 1.00 0.00 H new ATOM 195 N SER A 11 3.960 6.034 12.338 1.00 0.00 N ATOM 196 CA SER A 11 4.994 5.549 13.230 1.00 0.00 C ATOM 197 C SER A 11 6.136 6.559 13.334 1.00 0.00 C ATOM 198 O SER A 11 6.538 7.174 12.347 1.00 0.00 O ATOM 199 CB SER A 11 5.533 4.228 12.702 1.00 0.00 C ATOM 200 OG SER A 11 4.515 3.569 11.962 1.00 0.00 O ATOM 0 H SER A 11 3.703 5.382 11.597 1.00 0.00 H new ATOM 0 HA SER A 11 4.564 5.408 14.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.403 4.404 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.862 3.599 13.529 1.00 0.00 H new ATOM 0 HG SER A 11 4.607 3.789 11.011 1.00 0.00 H new ATOM 206 N CYS A 12 6.640 6.716 14.545 1.00 0.00 N ATOM 207 CA CYS A 12 7.722 7.637 14.812 1.00 0.00 C ATOM 208 C CYS A 12 8.958 7.312 13.953 1.00 0.00 C ATOM 209 O CYS A 12 9.073 6.227 13.379 1.00 0.00 O ATOM 210 CB CYS A 12 8.077 7.552 16.281 1.00 0.00 C ATOM 211 SG CYS A 12 8.981 6.024 16.597 1.00 0.00 S ATOM 0 H CYS A 12 6.310 6.209 15.366 1.00 0.00 H new ATOM 0 HA CYS A 12 7.400 8.647 14.557 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.683 8.411 16.569 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.171 7.583 16.887 1.00 0.00 H new ATOM 216 N ASP A 13 9.862 8.286 13.875 1.00 0.00 N ATOM 217 CA ASP A 13 11.099 8.181 13.092 1.00 0.00 C ATOM 218 C ASP A 13 11.727 6.778 13.065 1.00 0.00 C ATOM 219 O ASP A 13 11.945 6.213 11.997 1.00 0.00 O ATOM 220 CB ASP A 13 12.133 9.148 13.657 1.00 0.00 C ATOM 221 CG ASP A 13 12.235 10.378 12.763 1.00 0.00 C ATOM 222 OD1 ASP A 13 11.268 11.104 12.688 1.00 0.00 O ATOM 223 OD2 ASP A 13 13.280 10.566 12.162 1.00 0.00 O ATOM 0 H ASP A 13 9.759 9.179 14.356 1.00 0.00 H new ATOM 0 HA ASP A 13 10.817 8.420 12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.853 9.444 14.668 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.103 8.657 13.727 1.00 0.00 H new ATOM 228 N PRO A 14 12.095 6.222 14.223 1.00 0.00 N ATOM 229 CA PRO A 14 12.774 4.924 14.305 1.00 0.00 C ATOM 230 C PRO A 14 11.979 3.725 13.769 1.00 0.00 C ATOM 231 O PRO A 14 12.555 2.831 13.151 1.00 0.00 O ATOM 232 CB PRO A 14 13.097 4.776 15.787 1.00 0.00 C ATOM 233 CG PRO A 14 12.075 5.648 16.487 1.00 0.00 C ATOM 234 CD PRO A 14 11.848 6.819 15.535 1.00 0.00 C ATOM 0 HA PRO A 14 13.651 4.916 13.658 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.019 3.737 16.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.114 5.102 16.006 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.149 5.103 16.672 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.442 5.990 17.455 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.836 7.215 15.615 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.530 7.644 15.739 1.00 0.00 H new ATOM 242 N CYS A 15 10.680 3.677 14.006 1.00 0.00 N ATOM 243 CA CYS A 15 9.901 2.545 13.534 1.00 0.00 C ATOM 244 C CYS A 15 9.639 2.634 12.034 1.00 0.00 C ATOM 245 O CYS A 15 9.844 1.662 11.309 1.00 0.00 O ATOM 246 CB CYS A 15 8.585 2.486 14.272 1.00 0.00 C ATOM 247 SG CYS A 15 8.898 2.299 16.034 1.00 0.00 S ATOM 0 H CYS A 15 10.152 4.390 14.510 1.00 0.00 H new ATOM 0 HA CYS A 15 10.476 1.639 13.727 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.011 3.394 14.088 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.987 1.651 13.907 1.00 0.00 H new ATOM 252 N ARG A 16 9.177 3.782 11.563 1.00 0.00 N ATOM 253 CA ARG A 16 8.901 3.922 10.142 1.00 0.00 C ATOM 254 C ARG A 16 10.121 3.451 9.344 1.00 0.00 C ATOM 255 O ARG A 16 9.988 2.764 8.332 1.00 0.00 O ATOM 256 CB ARG A 16 8.548 5.367 9.806 1.00 0.00 C ATOM 257 CG ARG A 16 9.704 6.278 10.173 1.00 0.00 C ATOM 258 CD ARG A 16 9.332 7.731 9.892 1.00 0.00 C ATOM 259 NE ARG A 16 10.543 8.496 9.644 1.00 0.00 N ATOM 260 CZ ARG A 16 11.190 8.414 8.485 1.00 0.00 C ATOM 261 NH1 ARG A 16 10.749 7.627 7.532 1.00 0.00 N ATOM 262 NH2 ARG A 16 12.275 9.119 8.297 1.00 0.00 N ATOM 0 H ARG A 16 8.989 4.611 12.127 1.00 0.00 H new ATOM 0 HA ARG A 16 8.044 3.304 9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.324 5.458 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.651 5.667 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.954 6.155 11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.590 6.004 9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.668 7.788 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.790 8.150 10.740 1.00 0.00 H new ATOM 0 HE ARG A 16 10.904 9.109 10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.905 7.073 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.250 7.569 6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.622 9.729 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.775 9.059 7.410 1.00 0.00 H new ATOM 276 N LYS A 17 11.311 3.793 9.828 1.00 0.00 N ATOM 277 CA LYS A 17 12.538 3.364 9.172 1.00 0.00 C ATOM 278 C LYS A 17 12.673 1.843 9.290 1.00 0.00 C ATOM 279 O LYS A 17 13.011 1.157 8.328 1.00 0.00 O ATOM 280 CB LYS A 17 13.739 4.037 9.826 1.00 0.00 C ATOM 281 CG LYS A 17 13.641 5.550 9.648 1.00 0.00 C ATOM 282 CD LYS A 17 14.591 6.237 10.622 1.00 0.00 C ATOM 283 CE LYS A 17 14.247 7.721 10.709 1.00 0.00 C ATOM 284 NZ LYS A 17 14.925 8.324 11.890 1.00 0.00 N ATOM 0 H LYS A 17 11.450 4.360 10.664 1.00 0.00 H new ATOM 0 HA LYS A 17 12.501 3.647 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.775 3.787 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.663 3.668 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.893 5.824 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.618 5.883 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.514 5.777 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.622 6.111 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.560 8.231 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.168 7.850 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.512 9.258 12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.797 7.706 12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.940 8.430 11.691 1.00 0.00 H new ATOM 298 N GLY A 18 12.403 1.329 10.485 1.00 0.00 N ATOM 299 CA GLY A 18 12.493 -0.105 10.736 1.00 0.00 C ATOM 300 C GLY A 18 11.162 -0.812 10.436 1.00 0.00 C ATOM 301 O GLY A 18 10.878 -1.868 10.997 1.00 0.00 O ATOM 0 H GLY A 18 12.121 1.883 11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.282 -0.535 10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.772 -0.277 11.776 1.00 0.00 H new ATOM 305 N LYS A 19 10.363 -0.221 9.550 1.00 0.00 N ATOM 306 CA LYS A 19 9.074 -0.774 9.152 1.00 0.00 C ATOM 307 C LYS A 19 8.261 -1.277 10.352 1.00 0.00 C ATOM 308 O LYS A 19 7.685 -2.362 10.315 1.00 0.00 O ATOM 309 CB LYS A 19 9.272 -1.891 8.126 1.00 0.00 C ATOM 310 CG LYS A 19 10.050 -3.058 8.731 1.00 0.00 C ATOM 311 CD LYS A 19 10.110 -4.208 7.731 1.00 0.00 C ATOM 312 CE LYS A 19 10.902 -3.775 6.501 1.00 0.00 C ATOM 313 NZ LYS A 19 10.997 -4.913 5.543 1.00 0.00 N ATOM 0 H LYS A 19 10.594 0.658 9.087 1.00 0.00 H new ATOM 0 HA LYS A 19 8.500 0.032 8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.302 -2.240 7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.807 -1.503 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.058 -2.738 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.571 -3.389 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.579 -5.078 8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.102 -4.504 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.416 -2.924 6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.900 -3.449 6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.537 -4.617 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.479 -5.713 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.041 -5.204 5.254 1.00 0.00 H new ATOM 327 N ARG A 20 8.184 -0.461 11.391 1.00 0.00 N ATOM 328 CA ARG A 20 7.406 -0.810 12.565 1.00 0.00 C ATOM 329 C ARG A 20 6.283 0.205 12.727 1.00 0.00 C ATOM 330 O ARG A 20 6.497 1.408 12.616 1.00 0.00 O ATOM 331 CB ARG A 20 8.274 -0.796 13.821 1.00 0.00 C ATOM 332 CG ARG A 20 9.282 -1.934 13.774 1.00 0.00 C ATOM 333 CD ARG A 20 9.815 -2.181 15.182 1.00 0.00 C ATOM 334 NE ARG A 20 10.976 -3.055 15.130 1.00 0.00 N ATOM 335 CZ ARG A 20 12.151 -2.620 14.687 1.00 0.00 C ATOM 336 NH1 ARG A 20 12.302 -1.372 14.313 1.00 0.00 N ATOM 337 NH2 ARG A 20 13.168 -3.438 14.637 1.00 0.00 N ATOM 0 H ARG A 20 8.650 0.445 11.444 1.00 0.00 H new ATOM 0 HA ARG A 20 7.004 -1.814 12.434 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.795 0.158 13.902 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.646 -0.892 14.707 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.813 -2.837 13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.101 -1.684 13.099 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.084 -1.234 15.649 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.038 -2.632 15.800 1.00 0.00 H new ATOM 0 HE ARG A 20 10.887 -4.023 15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.514 -0.726 14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.208 -1.047 13.974 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.059 -4.407 14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.072 -3.108 14.298 1.00 0.00 H new ATOM 351 N ARG A 21 5.091 -0.280 12.995 1.00 0.00 N ATOM 352 CA ARG A 21 3.964 0.605 13.184 1.00 0.00 C ATOM 353 C ARG A 21 3.713 0.747 14.675 1.00 0.00 C ATOM 354 O ARG A 21 3.536 -0.246 15.379 1.00 0.00 O ATOM 355 CB ARG A 21 2.734 0.028 12.512 1.00 0.00 C ATOM 356 CG ARG A 21 3.090 -0.418 11.098 1.00 0.00 C ATOM 357 CD ARG A 21 1.863 -1.020 10.430 1.00 0.00 C ATOM 358 NE ARG A 21 2.178 -1.381 9.055 1.00 0.00 N ATOM 359 CZ ARG A 21 1.287 -1.988 8.278 1.00 0.00 C ATOM 360 NH1 ARG A 21 0.098 -2.283 8.741 1.00 0.00 N ATOM 361 NH2 ARG A 21 1.600 -2.291 7.045 1.00 0.00 N ATOM 0 H ARG A 21 4.878 -1.273 13.086 1.00 0.00 H new ATOM 0 HA ARG A 21 4.177 1.579 12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.355 -0.817 13.087 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.940 0.774 12.481 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.453 0.431 10.518 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.896 -1.151 11.129 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.533 -1.901 10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.040 -0.306 10.449 1.00 0.00 H new ATOM 0 HE ARG A 21 3.101 -1.164 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.148 -2.047 9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.582 -2.749 8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.525 -2.061 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.919 -2.757 6.446 1.00 0.00 H new ATOM 375 N CYS A 22 3.711 1.970 15.163 1.00 0.00 N ATOM 376 CA CYS A 22 3.495 2.172 16.583 1.00 0.00 C ATOM 377 C CYS A 22 2.184 2.892 16.866 1.00 0.00 C ATOM 378 O CYS A 22 1.439 3.270 15.964 1.00 0.00 O ATOM 379 CB CYS A 22 4.640 2.957 17.211 1.00 0.00 C ATOM 380 SG CYS A 22 5.459 4.031 16.004 1.00 0.00 S ATOM 0 H CYS A 22 3.852 2.819 14.616 1.00 0.00 H new ATOM 0 HA CYS A 22 3.449 1.178 17.029 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.259 3.560 18.035 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.367 2.264 17.634 1.00 0.00 H new ATOM 385 N ASP A 23 1.937 3.074 18.150 1.00 0.00 N ATOM 386 CA ASP A 23 0.735 3.751 18.615 1.00 0.00 C ATOM 387 C ASP A 23 0.837 5.247 18.313 1.00 0.00 C ATOM 388 O ASP A 23 -0.175 5.922 18.129 1.00 0.00 O ATOM 389 CB ASP A 23 0.534 3.541 20.126 1.00 0.00 C ATOM 390 CG ASP A 23 1.797 2.967 20.788 1.00 0.00 C ATOM 391 OD1 ASP A 23 2.006 1.768 20.690 1.00 0.00 O ATOM 392 OD2 ASP A 23 2.547 3.736 21.366 1.00 0.00 O ATOM 0 H ASP A 23 2.557 2.760 18.897 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.122 3.327 18.092 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.276 4.490 20.595 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.304 2.865 20.292 1.00 0.00 H new ATOM 397 N ALA A 24 2.066 5.749 18.262 1.00 0.00 N ATOM 398 CA ALA A 24 2.314 7.154 17.977 1.00 0.00 C ATOM 399 C ALA A 24 1.439 7.635 16.819 1.00 0.00 C ATOM 400 O ALA A 24 1.648 7.259 15.666 1.00 0.00 O ATOM 401 CB ALA A 24 3.780 7.338 17.603 1.00 0.00 C ATOM 0 H ALA A 24 2.910 5.198 18.416 1.00 0.00 H new ATOM 0 HA ALA A 24 2.073 7.738 18.865 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.972 8.389 17.388 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.410 7.016 18.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.008 6.740 16.721 1.00 0.00 H new ATOM 407 N PRO A 25 0.450 8.486 17.114 1.00 0.00 N ATOM 408 CA PRO A 25 -0.455 9.033 16.114 1.00 0.00 C ATOM 409 C PRO A 25 0.180 10.198 15.366 1.00 0.00 C ATOM 410 O PRO A 25 1.363 10.484 15.535 1.00 0.00 O ATOM 411 CB PRO A 25 -1.654 9.494 16.929 1.00 0.00 C ATOM 412 CG PRO A 25 -1.103 9.794 18.317 1.00 0.00 C ATOM 413 CD PRO A 25 0.173 8.962 18.467 1.00 0.00 C ATOM 0 HA PRO A 25 -0.718 8.306 15.346 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.113 10.379 16.488 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.423 8.722 16.969 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.888 10.857 18.428 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -1.829 9.533 19.087 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.996 9.562 18.855 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.029 8.133 19.160 1.00 0.00 H new ATOM 421 N GLU A 26 -0.611 10.885 14.564 1.00 0.00 N ATOM 422 CA GLU A 26 -0.100 12.028 13.836 1.00 0.00 C ATOM 423 C GLU A 26 0.251 13.117 14.842 1.00 0.00 C ATOM 424 O GLU A 26 1.053 14.009 14.571 1.00 0.00 O ATOM 425 CB GLU A 26 -1.159 12.534 12.862 1.00 0.00 C ATOM 426 CG GLU A 26 -0.482 13.231 11.690 1.00 0.00 C ATOM 427 CD GLU A 26 -1.490 13.424 10.557 1.00 0.00 C ATOM 428 OE1 GLU A 26 -2.453 14.142 10.765 1.00 0.00 O ATOM 429 OE2 GLU A 26 -1.286 12.840 9.506 1.00 0.00 O ATOM 0 H GLU A 26 -1.596 10.675 14.402 1.00 0.00 H new ATOM 0 HA GLU A 26 0.787 11.749 13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.765 11.702 12.503 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.834 13.224 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.086 14.196 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.364 12.639 11.341 1.00 0.00 H new ATOM 436 N ASN A 27 -0.362 13.024 16.015 1.00 0.00 N ATOM 437 CA ASN A 27 -0.128 13.981 17.069 1.00 0.00 C ATOM 438 C ASN A 27 0.521 13.290 18.267 1.00 0.00 C ATOM 439 O ASN A 27 -0.026 13.293 19.362 1.00 0.00 O ATOM 440 CB ASN A 27 -1.458 14.575 17.489 1.00 0.00 C ATOM 441 CG ASN A 27 -1.517 16.050 17.121 1.00 0.00 C ATOM 442 OD1 ASN A 27 -0.499 16.742 17.070 1.00 0.00 O ATOM 443 ND2 ASN A 27 -2.685 16.563 16.888 1.00 0.00 N ATOM 0 H ASN A 27 -1.027 12.288 16.253 1.00 0.00 H new ATOM 0 HA ASN A 27 0.538 14.766 16.711 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.273 14.039 17.003 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.594 14.456 18.564 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.771 17.553 16.658 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.518 15.976 16.934 1.00 0.00 H new ATOM 450 N ARG A 28 1.683 12.698 18.056 1.00 0.00 N ATOM 451 CA ARG A 28 2.384 12.020 19.129 1.00 0.00 C ATOM 452 C ARG A 28 2.690 13.014 20.253 1.00 0.00 C ATOM 453 O ARG A 28 2.720 12.653 21.425 1.00 0.00 O ATOM 454 CB ARG A 28 3.670 11.407 18.582 1.00 0.00 C ATOM 455 CG ARG A 28 4.882 12.126 19.152 1.00 0.00 C ATOM 456 CD ARG A 28 6.098 11.846 18.281 1.00 0.00 C ATOM 457 NE ARG A 28 7.248 12.558 18.820 1.00 0.00 N ATOM 458 CZ ARG A 28 7.813 12.197 19.970 1.00 0.00 C ATOM 459 NH1 ARG A 28 7.413 11.120 20.603 1.00 0.00 N ATOM 460 NH2 ARG A 28 8.794 12.910 20.459 1.00 0.00 N ATOM 0 H ARG A 28 2.159 12.673 17.154 1.00 0.00 H new ATOM 0 HA ARG A 28 1.761 11.223 19.535 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.713 10.348 18.838 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.678 11.473 17.494 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.693 13.199 19.197 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.069 11.792 20.173 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.300 10.775 18.251 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.907 12.163 17.256 1.00 0.00 H new ATOM 0 HE ARG A 28 7.629 13.351 18.305 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.662 10.550 20.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.853 10.853 21.484 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.122 13.737 19.960 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.232 12.639 21.340 1.00 0.00 H new ATOM 474 N ASN A 29 2.880 14.277 19.895 1.00 0.00 N ATOM 475 CA ASN A 29 3.141 15.297 20.896 1.00 0.00 C ATOM 476 C ASN A 29 1.847 15.535 21.664 1.00 0.00 C ATOM 477 O ASN A 29 1.821 15.552 22.894 1.00 0.00 O ATOM 478 CB ASN A 29 3.598 16.587 20.224 1.00 0.00 C ATOM 479 CG ASN A 29 4.036 17.600 21.284 1.00 0.00 C ATOM 480 OD1 ASN A 29 3.232 18.079 22.082 1.00 0.00 O ATOM 481 ND2 ASN A 29 5.295 17.942 21.324 1.00 0.00 N ATOM 0 H ASN A 29 2.859 14.614 18.933 1.00 0.00 H new ATOM 0 HA ASN A 29 3.931 14.972 21.573 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.424 16.380 19.543 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.788 17.002 19.625 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.620 18.612 22.021 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.954 17.539 20.658 1.00 0.00 H new ATOM 488 N GLU A 30 0.766 15.674 20.915 1.00 0.00 N ATOM 489 CA GLU A 30 -0.542 15.862 21.509 1.00 0.00 C ATOM 490 C GLU A 30 -0.921 14.597 22.286 1.00 0.00 C ATOM 491 O GLU A 30 -1.739 14.629 23.203 1.00 0.00 O ATOM 492 CB GLU A 30 -1.562 16.114 20.403 1.00 0.00 C ATOM 493 CG GLU A 30 -2.379 17.347 20.746 1.00 0.00 C ATOM 494 CD GLU A 30 -3.553 17.478 19.773 1.00 0.00 C ATOM 495 OE1 GLU A 30 -4.368 16.571 19.734 1.00 0.00 O ATOM 496 OE2 GLU A 30 -3.614 18.480 19.080 1.00 0.00 O ATOM 0 H GLU A 30 0.771 15.660 19.895 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.528 16.715 22.187 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.054 16.254 19.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.216 15.249 20.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.749 17.277 21.769 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.751 18.236 20.695 1.00 0.00 H new ATOM 503 N ALA A 31 -0.297 13.486 21.918 1.00 0.00 N ATOM 504 CA ALA A 31 -0.542 12.222 22.573 1.00 0.00 C ATOM 505 C ALA A 31 0.080 12.271 23.961 1.00 0.00 C ATOM 506 O ALA A 31 -0.503 11.803 24.935 1.00 0.00 O ATOM 507 CB ALA A 31 0.077 11.095 21.742 1.00 0.00 C ATOM 0 H ALA A 31 0.387 13.442 21.162 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.612 12.036 22.665 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.105 10.139 22.233 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.373 11.085 20.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.151 11.257 21.652 1.00 0.00 H new ATOM 513 N ASN A 32 1.257 12.874 24.045 1.00 0.00 N ATOM 514 CA ASN A 32 1.940 13.008 25.317 1.00 0.00 C ATOM 515 C ASN A 32 1.053 13.776 26.291 1.00 0.00 C ATOM 516 O ASN A 32 0.978 13.451 27.474 1.00 0.00 O ATOM 517 CB ASN A 32 3.249 13.764 25.128 1.00 0.00 C ATOM 518 CG ASN A 32 4.357 12.804 24.696 1.00 0.00 C ATOM 519 OD1 ASN A 32 5.234 12.451 25.483 1.00 0.00 O ATOM 520 ND2 ASN A 32 4.346 12.357 23.471 1.00 0.00 N ATOM 0 H ASN A 32 1.754 13.275 23.250 1.00 0.00 H new ATOM 0 HA ASN A 32 2.152 12.015 25.714 1.00 0.00 H new ATOM 0 HB2 ASN A 32 3.121 14.544 24.378 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.529 14.259 26.058 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.069 11.709 23.158 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.615 12.655 22.826 1.00 0.00 H new ATOM 527 N GLU A 33 0.375 14.793 25.779 1.00 0.00 N ATOM 528 CA GLU A 33 -0.508 15.588 26.616 1.00 0.00 C ATOM 529 C GLU A 33 -1.674 14.725 27.104 1.00 0.00 C ATOM 530 O GLU A 33 -2.039 14.753 28.278 1.00 0.00 O ATOM 531 CB GLU A 33 -1.038 16.780 25.826 1.00 0.00 C ATOM 532 CG GLU A 33 -1.890 17.654 26.738 1.00 0.00 C ATOM 533 CD GLU A 33 -2.196 18.981 26.045 1.00 0.00 C ATOM 534 OE1 GLU A 33 -2.755 18.946 24.961 1.00 0.00 O ATOM 535 OE2 GLU A 33 -1.867 20.011 26.610 1.00 0.00 O ATOM 0 H GLU A 33 0.418 15.083 24.802 1.00 0.00 H new ATOM 0 HA GLU A 33 0.050 15.954 27.478 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.208 17.359 25.420 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.630 16.434 24.979 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.819 17.140 26.986 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.366 17.836 27.676 1.00 0.00 H new ATOM 542 N ASN A 34 -2.253 13.962 26.188 1.00 0.00 N ATOM 543 CA ASN A 34 -3.375 13.096 26.519 1.00 0.00 C ATOM 544 C ASN A 34 -2.975 12.048 27.566 1.00 0.00 C ATOM 545 O ASN A 34 -3.775 11.680 28.425 1.00 0.00 O ATOM 546 CB ASN A 34 -3.860 12.394 25.255 1.00 0.00 C ATOM 547 CG ASN A 34 -4.810 13.310 24.482 1.00 0.00 C ATOM 548 OD1 ASN A 34 -5.925 13.588 24.922 1.00 0.00 O ATOM 549 ND2 ASN A 34 -4.405 13.799 23.342 1.00 0.00 N ATOM 0 H ASN A 34 -1.964 13.925 25.210 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.173 13.709 26.937 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.009 12.126 24.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.368 11.466 25.516 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.014 14.418 22.807 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.479 13.563 22.986 1.00 0.00 H new ATOM 556 N GLY A 35 -1.746 11.563 27.484 1.00 0.00 N ATOM 557 CA GLY A 35 -1.274 10.553 28.427 1.00 0.00 C ATOM 558 C GLY A 35 -0.163 9.707 27.794 1.00 0.00 C ATOM 559 O GLY A 35 0.675 9.137 28.491 1.00 0.00 O ATOM 0 H GLY A 35 -1.061 11.846 26.783 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.902 11.036 29.331 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.102 9.911 28.727 1.00 0.00 H new ATOM 563 N TRP A 36 -0.166 9.644 26.470 1.00 0.00 N ATOM 564 CA TRP A 36 0.835 8.897 25.726 1.00 0.00 C ATOM 565 C TRP A 36 2.227 9.457 26.054 1.00 0.00 C ATOM 566 O TRP A 36 2.354 10.396 26.836 1.00 0.00 O ATOM 567 CB TRP A 36 0.517 9.060 24.246 1.00 0.00 C ATOM 568 CG TRP A 36 1.223 8.121 23.323 1.00 0.00 C ATOM 569 CD1 TRP A 36 0.900 6.826 23.118 1.00 0.00 C ATOM 570 CD2 TRP A 36 2.341 8.405 22.447 1.00 0.00 C ATOM 571 NE1 TRP A 36 1.761 6.303 22.168 1.00 0.00 N ATOM 572 CE2 TRP A 36 2.667 7.238 21.724 1.00 0.00 C ATOM 573 CE3 TRP A 36 3.094 9.558 22.224 1.00 0.00 C ATOM 574 CZ2 TRP A 36 3.709 7.224 20.797 1.00 0.00 C ATOM 575 CZ3 TRP A 36 4.143 9.549 21.298 1.00 0.00 C ATOM 576 CH2 TRP A 36 4.454 8.385 20.580 1.00 0.00 C ATOM 0 H TRP A 36 -0.860 10.108 25.884 1.00 0.00 H new ATOM 0 HA TRP A 36 0.825 7.840 25.991 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.557 8.936 24.109 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.760 10.081 23.952 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.104 6.289 23.612 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.727 5.339 21.837 1.00 0.00 H new ATOM 0 HE3 TRP A 36 2.866 10.462 22.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.938 6.321 20.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.719 10.448 21.134 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.263 8.387 19.865 1.00 0.00 H new ATOM 587 N VAL A 37 3.265 8.879 25.467 1.00 0.00 N ATOM 588 CA VAL A 37 4.617 9.328 25.717 1.00 0.00 C ATOM 589 C VAL A 37 5.590 8.374 25.032 1.00 0.00 C ATOM 590 O VAL A 37 6.015 7.376 25.612 1.00 0.00 O ATOM 591 CB VAL A 37 4.881 9.368 27.217 1.00 0.00 C ATOM 592 CG1 VAL A 37 4.430 8.062 27.870 1.00 0.00 C ATOM 593 CG2 VAL A 37 6.368 9.569 27.454 1.00 0.00 C ATOM 0 H VAL A 37 3.191 8.098 24.815 1.00 0.00 H new ATOM 0 HA VAL A 37 4.753 10.333 25.317 1.00 0.00 H new ATOM 0 HB VAL A 37 4.319 10.191 27.658 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.625 8.105 28.942 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.363 7.920 27.701 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.981 7.228 27.434 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.565 9.599 28.526 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.923 8.745 27.006 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.685 10.508 27.001 1.00 0.00 H new ATOM 603 N SER A 38 5.915 8.678 23.788 1.00 0.00 N ATOM 604 CA SER A 38 6.808 7.843 23.014 1.00 0.00 C ATOM 605 C SER A 38 6.119 6.512 22.717 1.00 0.00 C ATOM 606 O SER A 38 5.401 5.956 23.547 1.00 0.00 O ATOM 607 CB SER A 38 8.106 7.611 23.770 1.00 0.00 C ATOM 608 OG SER A 38 8.563 8.843 24.308 1.00 0.00 O ATOM 0 H SER A 38 5.571 9.501 23.293 1.00 0.00 H new ATOM 0 HA SER A 38 7.048 8.343 22.076 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.950 6.887 24.570 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.859 7.191 23.103 1.00 0.00 H new ATOM 0 HG SER A 38 9.399 8.696 24.798 1.00 0.00 H new ATOM 614 N CYS A 39 6.319 6.028 21.513 1.00 0.00 N ATOM 615 CA CYS A 39 5.701 4.794 21.091 1.00 0.00 C ATOM 616 C CYS A 39 6.286 3.609 21.851 1.00 0.00 C ATOM 617 O CYS A 39 7.396 3.671 22.379 1.00 0.00 O ATOM 618 CB CYS A 39 5.894 4.615 19.596 1.00 0.00 C ATOM 619 SG CYS A 39 7.584 4.087 19.225 1.00 0.00 S ATOM 0 H CYS A 39 6.907 6.472 20.807 1.00 0.00 H new ATOM 0 HA CYS A 39 4.634 4.840 21.311 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.186 3.876 19.219 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.680 5.552 19.082 1.00 0.00 H new ATOM 624 N SER A 40 5.513 2.539 21.911 1.00 0.00 N ATOM 625 CA SER A 40 5.932 1.341 22.617 1.00 0.00 C ATOM 626 C SER A 40 7.302 0.845 22.135 1.00 0.00 C ATOM 627 O SER A 40 8.043 0.241 22.903 1.00 0.00 O ATOM 628 CB SER A 40 4.884 0.255 22.425 1.00 0.00 C ATOM 629 OG SER A 40 4.486 0.220 21.061 1.00 0.00 O ATOM 0 H SER A 40 4.591 2.475 21.479 1.00 0.00 H new ATOM 0 HA SER A 40 6.029 1.583 23.675 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.288 -0.713 22.722 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.021 0.450 23.062 1.00 0.00 H new ATOM 0 HG SER A 40 3.669 0.749 20.945 1.00 0.00 H new ATOM 635 N ASN A 41 7.644 1.098 20.876 1.00 0.00 N ATOM 636 CA ASN A 41 8.935 0.661 20.359 1.00 0.00 C ATOM 637 C ASN A 41 10.060 1.385 21.097 1.00 0.00 C ATOM 638 O ASN A 41 10.883 0.761 21.762 1.00 0.00 O ATOM 639 CB ASN A 41 9.034 0.967 18.872 1.00 0.00 C ATOM 640 CG ASN A 41 8.237 -0.055 18.063 1.00 0.00 C ATOM 641 OD1 ASN A 41 8.492 -1.257 18.122 1.00 0.00 O ATOM 642 ND2 ASN A 41 7.275 0.385 17.301 1.00 0.00 N ATOM 0 H ASN A 41 7.057 1.594 20.205 1.00 0.00 H new ATOM 0 HA ASN A 41 9.028 -0.414 20.513 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.656 1.970 18.675 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.078 0.952 18.560 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.724 -0.270 16.745 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.073 1.384 17.260 1.00 0.00 H new ATOM 649 N CYS A 42 10.086 2.702 20.979 1.00 0.00 N ATOM 650 CA CYS A 42 11.112 3.492 21.652 1.00 0.00 C ATOM 651 C CYS A 42 11.097 3.197 23.150 1.00 0.00 C ATOM 652 O CYS A 42 12.133 3.106 23.782 1.00 0.00 O ATOM 653 CB CYS A 42 10.850 4.974 21.447 1.00 0.00 C ATOM 654 SG CYS A 42 11.146 5.421 19.725 1.00 0.00 S ATOM 0 H CYS A 42 9.418 3.245 20.431 1.00 0.00 H new ATOM 0 HA CYS A 42 12.082 3.228 21.230 1.00 0.00 H new ATOM 0 HB2 CYS A 42 9.822 5.211 21.721 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.497 5.560 22.100 1.00 0.00 H new ATOM 659 N LYS A 43 9.914 3.069 23.710 1.00 0.00 N ATOM 660 CA LYS A 43 9.780 2.797 25.131 1.00 0.00 C ATOM 661 C LYS A 43 10.239 1.364 25.459 1.00 0.00 C ATOM 662 O LYS A 43 10.578 1.053 26.600 1.00 0.00 O ATOM 663 CB LYS A 43 8.318 2.985 25.512 1.00 0.00 C ATOM 664 CG LYS A 43 8.130 2.821 27.012 1.00 0.00 C ATOM 665 CD LYS A 43 6.693 3.182 27.362 1.00 0.00 C ATOM 666 CE LYS A 43 6.360 2.672 28.757 1.00 0.00 C ATOM 667 NZ LYS A 43 4.945 3.004 29.085 1.00 0.00 N ATOM 0 H LYS A 43 9.030 3.148 23.207 1.00 0.00 H new ATOM 0 HA LYS A 43 10.410 3.482 25.700 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.981 3.975 25.204 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.702 2.259 24.981 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.346 1.795 27.311 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.824 3.464 27.553 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.559 4.263 27.318 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.011 2.746 26.633 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.512 1.594 28.807 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.029 3.123 29.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.719 2.655 30.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.814 4.035 29.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.313 2.554 28.392 1.00 0.00 H new ATOM 681 N ARG A 44 10.233 0.498 24.455 1.00 0.00 N ATOM 682 CA ARG A 44 10.634 -0.893 24.643 1.00 0.00 C ATOM 683 C ARG A 44 12.151 -1.059 24.516 1.00 0.00 C ATOM 684 O ARG A 44 12.801 -1.637 25.384 1.00 0.00 O ATOM 685 CB ARG A 44 9.939 -1.757 23.587 1.00 0.00 C ATOM 686 CG ARG A 44 10.708 -3.056 23.383 1.00 0.00 C ATOM 687 CD ARG A 44 9.963 -3.940 22.391 1.00 0.00 C ATOM 688 NE ARG A 44 8.781 -4.508 23.021 1.00 0.00 N ATOM 689 CZ ARG A 44 7.984 -5.348 22.366 1.00 0.00 C ATOM 690 NH1 ARG A 44 8.246 -5.679 21.126 1.00 0.00 N ATOM 691 NH2 ARG A 44 6.933 -5.843 22.965 1.00 0.00 N ATOM 0 H ARG A 44 9.955 0.732 23.502 1.00 0.00 H new ATOM 0 HA ARG A 44 10.342 -1.205 25.646 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.918 -1.975 23.899 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.875 -1.212 22.645 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.711 -2.843 23.013 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.823 -3.576 24.334 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.674 -3.357 21.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.617 -4.738 22.040 1.00 0.00 H new ATOM 0 HE ARG A 44 8.559 -4.257 23.984 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.065 -5.292 20.657 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.631 -6.324 20.629 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.727 -5.585 23.930 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.319 -6.487 22.467 1.00 0.00 H new ATOM 705 N TRP A 45 12.697 -0.568 23.420 1.00 0.00 N ATOM 706 CA TRP A 45 14.121 -0.679 23.163 1.00 0.00 C ATOM 707 C TRP A 45 14.860 0.539 23.715 1.00 0.00 C ATOM 708 O TRP A 45 16.088 0.586 23.709 1.00 0.00 O ATOM 709 CB TRP A 45 14.341 -0.764 21.658 1.00 0.00 C ATOM 710 CG TRP A 45 13.541 -1.842 20.999 1.00 0.00 C ATOM 711 CD1 TRP A 45 12.195 -1.920 21.018 1.00 0.00 C ATOM 712 CD2 TRP A 45 14.003 -2.983 20.217 1.00 0.00 C ATOM 713 NE1 TRP A 45 11.797 -3.034 20.324 1.00 0.00 N ATOM 714 CE2 TRP A 45 12.869 -3.724 19.802 1.00 0.00 C ATOM 715 CE3 TRP A 45 15.273 -3.451 19.832 1.00 0.00 C ATOM 716 CZ2 TRP A 45 12.988 -4.880 19.037 1.00 0.00 C ATOM 717 CZ3 TRP A 45 15.396 -4.618 19.058 1.00 0.00 C ATOM 718 CH2 TRP A 45 14.256 -5.331 18.662 1.00 0.00 C ATOM 0 H TRP A 45 12.173 -0.086 22.690 1.00 0.00 H new ATOM 0 HA TRP A 45 14.507 -1.572 23.654 1.00 0.00 H new ATOM 0 HB2 TRP A 45 14.086 0.195 21.207 1.00 0.00 H new ATOM 0 HB3 TRP A 45 15.399 -0.937 21.463 1.00 0.00 H new ATOM 0 HD1 TRP A 45 11.535 -1.216 21.503 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.824 -3.318 20.208 1.00 0.00 H new ATOM 0 HE3 TRP A 45 16.158 -2.911 20.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.106 -5.425 18.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 16.375 -4.968 18.767 1.00 0.00 H new ATOM 0 HH2 TRP A 45 14.358 -6.227 18.068 1.00 0.00 H new ATOM 729 N ASN A 46 14.100 1.529 24.162 1.00 0.00 N ATOM 730 CA ASN A 46 14.680 2.755 24.685 1.00 0.00 C ATOM 731 C ASN A 46 15.457 3.428 23.555 1.00 0.00 C ATOM 732 O ASN A 46 16.676 3.573 23.613 1.00 0.00 O ATOM 733 CB ASN A 46 15.598 2.451 25.866 1.00 0.00 C ATOM 734 CG ASN A 46 14.802 1.880 27.058 1.00 0.00 C ATOM 735 OD1 ASN A 46 15.375 1.584 28.105 1.00 0.00 O ATOM 736 ND2 ASN A 46 13.504 1.711 26.951 1.00 0.00 N ATOM 0 H ASN A 46 13.080 1.506 24.172 1.00 0.00 H new ATOM 0 HA ASN A 46 13.895 3.420 25.045 1.00 0.00 H new ATOM 0 HB2 ASN A 46 16.363 1.737 25.561 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.114 3.361 26.172 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.972 1.335 27.736 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.028 1.956 26.083 1.00 0.00 H new ATOM 743 N LYS A 47 14.727 3.802 22.513 1.00 0.00 N ATOM 744 CA LYS A 47 15.320 4.419 21.343 1.00 0.00 C ATOM 745 C LYS A 47 15.201 5.951 21.424 1.00 0.00 C ATOM 746 O LYS A 47 15.725 6.568 22.351 1.00 0.00 O ATOM 747 CB LYS A 47 14.606 3.874 20.105 1.00 0.00 C ATOM 748 CG LYS A 47 14.525 2.351 20.204 1.00 0.00 C ATOM 749 CD LYS A 47 13.580 1.800 19.137 1.00 0.00 C ATOM 750 CE LYS A 47 14.110 2.149 17.750 1.00 0.00 C ATOM 751 NZ LYS A 47 13.255 1.502 16.713 1.00 0.00 N ATOM 0 H LYS A 47 13.715 3.686 22.458 1.00 0.00 H new ATOM 0 HA LYS A 47 16.382 4.181 21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.605 4.300 20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.144 4.164 19.202 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.518 1.918 20.079 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.174 2.062 21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.490 0.719 19.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.582 2.217 19.271 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.113 3.230 17.612 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.142 1.812 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.673 1.655 15.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.192 0.481 16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.302 1.918 16.739 1.00 0.00 H new ATOM 765 N ASP A 48 14.517 6.560 20.461 1.00 0.00 N ATOM 766 CA ASP A 48 14.355 8.005 20.455 1.00 0.00 C ATOM 767 C ASP A 48 13.097 8.369 19.669 1.00 0.00 C ATOM 768 O ASP A 48 13.128 8.505 18.447 1.00 0.00 O ATOM 769 CB ASP A 48 15.567 8.657 19.802 1.00 0.00 C ATOM 770 CG ASP A 48 15.639 10.135 20.192 1.00 0.00 C ATOM 771 OD1 ASP A 48 14.717 10.862 19.863 1.00 0.00 O ATOM 772 OD2 ASP A 48 16.614 10.515 20.817 1.00 0.00 O ATOM 0 H ASP A 48 14.070 6.078 19.681 1.00 0.00 H new ATOM 0 HA ASP A 48 14.264 8.363 21.481 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.478 8.145 20.114 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.502 8.561 18.718 1.00 0.00 H new ATOM 777 N CYS A 49 11.991 8.508 20.376 1.00 0.00 N ATOM 778 CA CYS A 49 10.731 8.836 19.733 1.00 0.00 C ATOM 779 C CYS A 49 10.730 10.282 19.244 1.00 0.00 C ATOM 780 O CYS A 49 10.768 11.217 20.039 1.00 0.00 O ATOM 781 CB CYS A 49 9.590 8.641 20.713 1.00 0.00 C ATOM 782 SG CYS A 49 8.178 7.977 19.813 1.00 0.00 S ATOM 0 H CYS A 49 11.938 8.400 21.389 1.00 0.00 H new ATOM 0 HA CYS A 49 10.603 8.175 18.876 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.887 7.959 21.510 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.328 9.588 21.184 1.00 0.00 H new ATOM 787 N THR A 50 10.678 10.457 17.932 1.00 0.00 N ATOM 788 CA THR A 50 10.656 11.794 17.361 1.00 0.00 C ATOM 789 C THR A 50 9.879 11.808 16.045 1.00 0.00 C ATOM 790 O THR A 50 9.786 10.797 15.351 1.00 0.00 O ATOM 791 CB THR A 50 12.081 12.279 17.122 1.00 0.00 C ATOM 792 OG1 THR A 50 12.054 13.465 16.338 1.00 0.00 O ATOM 793 CG2 THR A 50 12.872 11.201 16.395 1.00 0.00 C ATOM 0 H THR A 50 10.651 9.699 17.250 1.00 0.00 H new ATOM 0 HA THR A 50 10.159 12.461 18.065 1.00 0.00 H new ATOM 0 HB THR A 50 12.558 12.490 18.079 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.824 14.026 16.567 1.00 0.00 H new ATOM 0 HG21 THR A 50 13.891 11.550 16.225 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.895 10.295 17.001 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.398 10.985 15.438 1.00 0.00 H new ATOM 801 N PHE A 51 9.359 12.972 15.695 1.00 0.00 N ATOM 802 CA PHE A 51 8.637 13.145 14.460 1.00 0.00 C ATOM 803 C PHE A 51 9.469 14.018 13.540 1.00 0.00 C ATOM 804 O PHE A 51 8.981 14.948 12.909 1.00 0.00 O ATOM 805 CB PHE A 51 7.286 13.783 14.739 1.00 0.00 C ATOM 806 CG PHE A 51 6.271 12.696 15.000 1.00 0.00 C ATOM 807 CD1 PHE A 51 6.667 11.352 15.010 1.00 0.00 C ATOM 808 CD2 PHE A 51 4.930 13.030 15.226 1.00 0.00 C ATOM 809 CE1 PHE A 51 5.729 10.351 15.243 1.00 0.00 C ATOM 810 CE2 PHE A 51 3.991 12.022 15.456 1.00 0.00 C ATOM 811 CZ PHE A 51 4.392 10.682 15.465 1.00 0.00 C ATOM 0 H PHE A 51 9.429 13.817 16.261 1.00 0.00 H new ATOM 0 HA PHE A 51 8.460 12.181 13.982 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.355 14.448 15.600 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.975 14.392 13.890 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.701 11.093 14.837 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.622 14.065 15.222 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.037 9.316 15.252 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.956 12.277 15.627 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.666 9.903 15.644 1.00 0.00 H new ATOM 821 N ASN A 52 10.739 13.683 13.469 1.00 0.00 N ATOM 822 CA ASN A 52 11.662 14.403 12.622 1.00 0.00 C ATOM 823 C ASN A 52 11.259 14.215 11.171 1.00 0.00 C ATOM 824 O ASN A 52 11.411 15.114 10.349 1.00 0.00 O ATOM 825 CB ASN A 52 13.052 13.850 12.821 1.00 0.00 C ATOM 826 CG ASN A 52 13.780 14.631 13.902 1.00 0.00 C ATOM 827 OD1 ASN A 52 13.606 15.840 14.049 1.00 0.00 O ATOM 828 ND2 ASN A 52 14.611 13.984 14.658 1.00 0.00 N ATOM 0 H ASN A 52 11.157 12.912 13.991 1.00 0.00 H new ATOM 0 HA ASN A 52 11.644 15.463 12.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.996 12.797 13.099 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.610 13.904 11.886 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.129 14.477 15.385 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.746 12.982 14.526 1.00 0.00 H new ATOM 835 N TRP A 53 10.722 13.043 10.867 1.00 0.00 N ATOM 836 CA TRP A 53 10.284 12.772 9.527 1.00 0.00 C ATOM 837 C TRP A 53 9.256 13.819 9.167 1.00 0.00 C ATOM 838 O TRP A 53 9.226 14.327 8.053 1.00 0.00 O ATOM 839 CB TRP A 53 9.696 11.368 9.433 1.00 0.00 C ATOM 840 CG TRP A 53 8.449 11.110 10.239 1.00 0.00 C ATOM 841 CD1 TRP A 53 8.367 10.954 11.575 1.00 0.00 C ATOM 842 CD2 TRP A 53 7.110 10.928 9.752 1.00 0.00 C ATOM 843 NE1 TRP A 53 7.057 10.680 11.918 1.00 0.00 N ATOM 844 CE2 TRP A 53 6.237 10.652 10.821 1.00 0.00 C ATOM 845 CE3 TRP A 53 6.610 10.986 8.472 1.00 0.00 C ATOM 846 CZ2 TRP A 53 4.878 10.432 10.595 1.00 0.00 C ATOM 847 CZ3 TRP A 53 5.256 10.774 8.236 1.00 0.00 C ATOM 848 CH2 TRP A 53 4.389 10.495 9.292 1.00 0.00 C ATOM 0 H TRP A 53 10.585 12.279 11.529 1.00 0.00 H new ATOM 0 HA TRP A 53 11.121 12.815 8.830 1.00 0.00 H new ATOM 0 HB2 TRP A 53 9.476 11.159 8.386 1.00 0.00 H new ATOM 0 HB3 TRP A 53 10.459 10.656 9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 53 9.193 11.031 12.267 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.739 10.518 12.873 1.00 0.00 H new ATOM 0 HE3 TRP A 53 7.273 11.197 7.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.214 10.216 11.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.873 10.826 7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.339 10.328 9.100 1.00 0.00 H new ATOM 859 N LEU A 54 8.444 14.150 10.152 1.00 0.00 N ATOM 860 CA LEU A 54 7.420 15.162 9.994 1.00 0.00 C ATOM 861 C LEU A 54 8.048 16.549 9.887 1.00 0.00 C ATOM 862 O LEU A 54 7.570 17.417 9.156 1.00 0.00 O ATOM 863 CB LEU A 54 6.532 15.096 11.212 1.00 0.00 C ATOM 864 CG LEU A 54 5.965 13.700 11.273 1.00 0.00 C ATOM 865 CD1 LEU A 54 5.007 13.578 12.423 1.00 0.00 C ATOM 866 CD2 LEU A 54 5.221 13.418 9.983 1.00 0.00 C ATOM 0 H LEU A 54 8.476 13.727 11.080 1.00 0.00 H new ATOM 0 HA LEU A 54 6.849 14.983 9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.100 15.321 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.732 15.834 11.146 1.00 0.00 H new ATOM 0 HG LEU A 54 6.779 12.988 11.409 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.605 12.565 12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.529 13.791 13.356 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.191 14.289 12.293 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.806 12.411 10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.413 14.140 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.908 13.501 9.141 1.00 0.00 H new ATOM 878 N SER A 55 9.116 16.747 10.628 1.00 0.00 N ATOM 879 CA SER A 55 9.809 18.027 10.625 1.00 0.00 C ATOM 880 C SER A 55 10.391 18.311 9.237 1.00 0.00 C ATOM 881 O SER A 55 10.265 19.414 8.707 1.00 0.00 O ATOM 882 CB SER A 55 10.932 17.998 11.658 1.00 0.00 C ATOM 883 OG SER A 55 11.567 19.267 11.704 1.00 0.00 O ATOM 0 H SER A 55 9.527 16.043 11.241 1.00 0.00 H new ATOM 0 HA SER A 55 9.101 18.816 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.531 17.745 12.639 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.657 17.226 11.401 1.00 0.00 H new ATOM 0 HG SER A 55 12.287 19.249 12.368 1.00 0.00 H new ATOM 889 N SER A 56 11.035 17.311 8.659 1.00 0.00 N ATOM 890 CA SER A 56 11.646 17.459 7.344 1.00 0.00 C ATOM 891 C SER A 56 10.594 17.656 6.237 1.00 0.00 C ATOM 892 O SER A 56 10.942 17.896 5.092 1.00 0.00 O ATOM 893 CB SER A 56 12.473 16.216 7.035 1.00 0.00 C ATOM 894 OG SER A 56 13.399 15.990 8.089 1.00 0.00 O ATOM 0 H SER A 56 11.150 16.388 9.077 1.00 0.00 H new ATOM 0 HA SER A 56 12.277 18.348 7.366 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.820 15.351 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.004 16.344 6.091 1.00 0.00 H new ATOM 0 HG SER A 56 12.932 15.597 8.856 1.00 0.00 H new ATOM 900 N GLN A 57 9.321 17.544 6.563 1.00 0.00 N ATOM 901 CA GLN A 57 8.281 17.712 5.559 1.00 0.00 C ATOM 902 C GLN A 57 7.967 19.192 5.337 1.00 0.00 C ATOM 903 O GLN A 57 8.011 19.687 4.217 1.00 0.00 O ATOM 904 CB GLN A 57 7.023 16.976 5.995 1.00 0.00 C ATOM 905 CG GLN A 57 7.435 15.681 6.671 1.00 0.00 C ATOM 906 CD GLN A 57 6.223 14.817 6.973 1.00 0.00 C ATOM 907 OE1 GLN A 57 5.112 15.307 7.165 1.00 0.00 O ATOM 908 NE2 GLN A 57 6.413 13.534 7.048 1.00 0.00 N ATOM 0 H GLN A 57 8.981 17.340 7.503 1.00 0.00 H new ATOM 0 HA GLN A 57 8.640 17.295 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.441 17.593 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.387 16.769 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.125 15.134 6.028 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.968 15.902 7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.342 13.146 6.885 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.633 12.915 7.269 1.00 0.00 H new ATOM 917 N ARG A 58 7.624 19.883 6.406 1.00 0.00 N ATOM 918 CA ARG A 58 7.276 21.294 6.299 1.00 0.00 C ATOM 919 C ARG A 58 8.520 22.189 6.271 1.00 0.00 C ATOM 920 O ARG A 58 8.494 23.271 5.688 1.00 0.00 O ATOM 921 CB ARG A 58 6.392 21.696 7.475 1.00 0.00 C ATOM 922 CG ARG A 58 5.043 20.995 7.365 1.00 0.00 C ATOM 923 CD ARG A 58 4.059 21.635 8.338 1.00 0.00 C ATOM 924 NE ARG A 58 2.747 21.018 8.199 1.00 0.00 N ATOM 925 CZ ARG A 58 1.698 21.463 8.886 1.00 0.00 C ATOM 926 NH1 ARG A 58 1.825 22.476 9.706 1.00 0.00 N ATOM 927 NH2 ARG A 58 0.534 20.885 8.741 1.00 0.00 N ATOM 0 H ARG A 58 7.578 19.500 7.350 1.00 0.00 H new ATOM 0 HA ARG A 58 6.741 21.431 5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.876 21.429 8.414 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.252 22.777 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.664 21.070 6.346 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.153 19.934 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.418 21.518 9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.989 22.705 8.145 1.00 0.00 H new ATOM 0 HE ARG A 58 2.630 20.229 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.732 22.929 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.017 22.813 10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.432 20.096 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.272 21.223 9.266 1.00 0.00 H new ATOM 941 N SER A 59 9.592 21.761 6.918 1.00 0.00 N ATOM 942 CA SER A 59 10.798 22.575 6.957 1.00 0.00 C ATOM 943 C SER A 59 11.781 22.189 5.851 1.00 0.00 C ATOM 944 O SER A 59 12.172 23.021 5.034 1.00 0.00 O ATOM 945 CB SER A 59 11.470 22.413 8.315 1.00 0.00 C ATOM 946 OG SER A 59 10.545 22.748 9.341 1.00 0.00 O ATOM 0 H SER A 59 9.654 20.872 7.415 1.00 0.00 H new ATOM 0 HA SER A 59 10.509 23.614 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.816 21.387 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.348 23.055 8.378 1.00 0.00 H new ATOM 0 HG SER A 59 10.974 22.643 10.216 1.00 0.00 H new ATOM 952 N LYS A 60 12.204 20.939 5.850 1.00 0.00 N ATOM 953 CA LYS A 60 13.171 20.476 4.863 1.00 0.00 C ATOM 954 C LYS A 60 12.557 20.389 3.460 1.00 0.00 C ATOM 955 O LYS A 60 13.009 21.065 2.538 1.00 0.00 O ATOM 956 CB LYS A 60 13.718 19.114 5.277 1.00 0.00 C ATOM 957 CG LYS A 60 14.885 18.733 4.373 1.00 0.00 C ATOM 958 CD LYS A 60 15.463 17.399 4.830 1.00 0.00 C ATOM 959 CE LYS A 60 16.629 17.010 3.929 1.00 0.00 C ATOM 960 NZ LYS A 60 17.204 15.713 4.388 1.00 0.00 N ATOM 0 H LYS A 60 11.898 20.228 6.514 1.00 0.00 H new ATOM 0 HA LYS A 60 13.982 21.203 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.045 19.143 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.933 18.361 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.550 18.662 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.653 19.506 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.799 17.472 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.693 16.628 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.291 16.924 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.394 17.787 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.999 15.449 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.541 15.810 5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.473 14.975 4.345 1.00 0.00 H new ATOM 974 N ASN A 61 11.543 19.549 3.292 1.00 0.00 N ATOM 975 CA ASN A 61 10.916 19.391 1.993 1.00 0.00 C ATOM 976 C ASN A 61 10.188 20.679 1.596 1.00 0.00 C ATOM 977 O ASN A 61 9.703 21.420 2.450 1.00 0.00 O ATOM 978 CB ASN A 61 9.949 18.214 2.044 1.00 0.00 C ATOM 979 CG ASN A 61 8.741 18.487 1.157 1.00 0.00 C ATOM 980 OD1 ASN A 61 8.691 18.085 -0.005 1.00 0.00 O ATOM 981 ND2 ASN A 61 7.768 19.175 1.671 1.00 0.00 N ATOM 0 H ASN A 61 11.143 18.974 4.033 1.00 0.00 H new ATOM 0 HA ASN A 61 11.678 19.191 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 61 10.453 17.305 1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.625 18.045 3.071 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.944 19.391 1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.827 19.500 2.636 1.00 0.00 H new ATOM 988 N SER A 62 10.115 20.935 0.298 1.00 0.00 N ATOM 989 CA SER A 62 9.445 22.128 -0.195 1.00 0.00 C ATOM 990 C SER A 62 8.145 21.741 -0.900 1.00 0.00 C ATOM 991 O SER A 62 7.879 20.564 -1.135 1.00 0.00 O ATOM 992 CB SER A 62 10.358 22.863 -1.169 1.00 0.00 C ATOM 993 OG SER A 62 11.581 23.178 -0.521 1.00 0.00 O ATOM 0 H SER A 62 10.509 20.337 -0.428 1.00 0.00 H new ATOM 0 HA SER A 62 9.214 22.781 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.547 22.244 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.875 23.774 -1.521 1.00 0.00 H new ATOM 0 HG SER A 62 12.171 23.649 -1.146 1.00 0.00 H new ATOM 999 N SER A 63 7.339 22.735 -1.239 1.00 0.00 N ATOM 1000 CA SER A 63 6.080 22.477 -1.917 1.00 0.00 C ATOM 1001 C SER A 63 6.309 22.382 -3.426 1.00 0.00 C ATOM 1002 O SER A 63 7.445 22.540 -3.843 1.00 0.00 O ATOM 1003 CB SER A 63 5.097 23.602 -1.616 1.00 0.00 C ATOM 1004 OG SER A 63 5.665 24.842 -2.010 1.00 0.00 O ATOM 1005 OXT SER A 63 5.346 22.155 -4.139 1.00 0.00 O ATOM 0 H SER A 63 7.532 23.720 -1.057 1.00 0.00 H new ATOM 0 HA SER A 63 5.669 21.533 -1.560 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.160 23.433 -2.147 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.861 23.619 -0.552 1.00 0.00 H new ATOM 0 HG SER A 63 5.033 25.567 -1.819 1.00 0.00 H new TER 1011 SER A 63 HETATM 1012 ZN ZN A 64 7.645 4.087 16.865 1.00 0.00 ZN HETATM 1013 ZN ZN A 65 9.003 5.957 18.948 1.00 0.00 ZN