USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.66) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0.31 (180deg=0.302) USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.491) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.701 K(o=-0.7,f=-3.7!) USER MOD Single : A 51 THR OG1 : rot 155:sc= 1.69 USER MOD Single : A 57 ASN : amide:sc= -3.9! C(o=-3.9!,f=-5.3!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= -0.457 (180deg=-1.35!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 75 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.11) USER MOD Single : A 77 THR OG1 : rot 59:sc= 0.00666 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 8.309 9.350 32.681 1.00 0.00 N ATOM 2 CA HIS A 8 8.494 10.135 31.427 1.00 0.00 C ATOM 3 C HIS A 8 7.136 10.644 30.939 1.00 0.00 C ATOM 4 O HIS A 8 6.128 9.981 31.076 1.00 0.00 O ATOM 5 CB HIS A 8 9.119 9.240 30.354 1.00 0.00 C ATOM 6 CG HIS A 8 10.603 9.481 30.302 1.00 0.00 C ATOM 7 ND1 HIS A 8 11.293 10.067 31.353 1.00 0.00 N ATOM 8 CD2 HIS A 8 11.541 9.222 29.334 1.00 0.00 C ATOM 9 CE1 HIS A 8 12.588 10.140 30.995 1.00 0.00 C ATOM 10 NE2 HIS A 8 12.794 9.639 29.773 1.00 0.00 N ATOM 0 HA HIS A 8 9.151 10.983 31.622 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.918 8.192 30.577 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.671 9.451 29.383 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.338 8.764 28.377 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.366 10.553 31.619 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.679 9.576 29.270 1.00 0.00 H new ATOM 20 N MET A 9 7.103 11.818 30.370 1.00 0.00 N ATOM 21 CA MET A 9 5.811 12.368 29.874 1.00 0.00 C ATOM 22 C MET A 9 5.761 12.256 28.349 1.00 0.00 C ATOM 23 O MET A 9 6.755 11.987 27.703 1.00 0.00 O ATOM 24 CB MET A 9 5.691 13.838 30.281 1.00 0.00 C ATOM 25 CG MET A 9 4.326 14.081 30.927 1.00 0.00 C ATOM 26 SD MET A 9 4.532 15.098 32.409 1.00 0.00 S ATOM 27 CE MET A 9 4.762 13.742 33.584 1.00 0.00 C ATOM 0 H MET A 9 7.915 12.419 30.228 1.00 0.00 H new ATOM 0 HA MET A 9 4.986 11.803 30.308 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.487 14.099 30.979 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.811 14.479 29.407 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.661 14.579 30.221 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.861 13.130 31.187 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.910 14.149 34.584 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.879 13.102 33.579 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.636 13.157 33.298 1.00 0.00 H new ATOM 37 N VAL A 10 4.612 12.461 27.767 1.00 0.00 N ATOM 38 CA VAL A 10 4.499 12.367 26.284 1.00 0.00 C ATOM 39 C VAL A 10 5.319 13.485 25.638 1.00 0.00 C ATOM 40 O VAL A 10 5.253 14.629 26.040 1.00 0.00 O ATOM 41 CB VAL A 10 3.033 12.509 25.873 1.00 0.00 C ATOM 42 CG1 VAL A 10 2.932 12.567 24.348 1.00 0.00 C ATOM 43 CG2 VAL A 10 2.242 11.304 26.390 1.00 0.00 C ATOM 0 H VAL A 10 3.746 12.690 28.254 1.00 0.00 H new ATOM 0 HA VAL A 10 4.877 11.400 25.952 1.00 0.00 H new ATOM 0 HB VAL A 10 2.624 13.425 26.298 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.887 12.668 24.056 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.496 13.423 23.978 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.341 11.651 23.921 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.196 11.403 26.098 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.653 10.389 25.963 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.313 11.261 27.477 1.00 0.00 H new ATOM 53 N GLU A 11 6.094 13.164 24.637 1.00 0.00 N ATOM 54 CA GLU A 11 6.916 14.210 23.967 1.00 0.00 C ATOM 55 C GLU A 11 6.030 15.406 23.614 1.00 0.00 C ATOM 56 O GLU A 11 4.819 15.314 23.616 1.00 0.00 O ATOM 57 CB GLU A 11 7.529 13.635 22.687 1.00 0.00 C ATOM 58 CG GLU A 11 8.346 12.388 23.027 1.00 0.00 C ATOM 59 CD GLU A 11 8.233 11.375 21.885 1.00 0.00 C ATOM 60 OE1 GLU A 11 8.985 11.500 20.934 1.00 0.00 O ATOM 61 OE2 GLU A 11 7.394 10.493 21.983 1.00 0.00 O ATOM 0 H GLU A 11 6.193 12.223 24.255 1.00 0.00 H new ATOM 0 HA GLU A 11 7.712 14.532 24.639 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.742 13.384 21.975 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.165 14.380 22.209 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.390 12.657 23.186 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.985 11.946 23.956 1.00 0.00 H new ATOM 68 N GLU A 12 6.624 16.527 23.310 1.00 0.00 N ATOM 69 CA GLU A 12 5.814 17.727 22.957 1.00 0.00 C ATOM 70 C GLU A 12 5.514 17.715 21.457 1.00 0.00 C ATOM 71 O GLU A 12 4.372 17.694 21.043 1.00 0.00 O ATOM 72 CB GLU A 12 6.598 18.993 23.311 1.00 0.00 C ATOM 73 CG GLU A 12 6.173 19.486 24.695 1.00 0.00 C ATOM 74 CD GLU A 12 5.911 20.992 24.643 1.00 0.00 C ATOM 75 OE1 GLU A 12 6.829 21.721 24.304 1.00 0.00 O ATOM 76 OE2 GLU A 12 4.798 21.390 24.943 1.00 0.00 O ATOM 0 H GLU A 12 7.635 16.664 23.291 1.00 0.00 H new ATOM 0 HA GLU A 12 4.878 17.712 23.515 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.668 18.786 23.300 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.415 19.767 22.566 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.275 18.961 25.019 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.952 19.267 25.426 1.00 0.00 H new ATOM 83 N VAL A 13 6.531 17.728 20.639 1.00 0.00 N ATOM 84 CA VAL A 13 6.302 17.717 19.167 1.00 0.00 C ATOM 85 C VAL A 13 6.269 16.271 18.668 1.00 0.00 C ATOM 86 O VAL A 13 7.140 15.480 18.969 1.00 0.00 O ATOM 87 CB VAL A 13 7.435 18.472 18.471 1.00 0.00 C ATOM 88 CG1 VAL A 13 8.781 17.939 18.964 1.00 0.00 C ATOM 89 CG2 VAL A 13 7.329 18.264 16.958 1.00 0.00 C ATOM 0 H VAL A 13 7.509 17.746 20.926 1.00 0.00 H new ATOM 0 HA VAL A 13 5.351 18.200 18.942 1.00 0.00 H new ATOM 0 HB VAL A 13 7.359 19.535 18.700 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.589 18.477 18.468 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.857 18.083 20.042 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.858 16.876 18.734 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.136 18.801 16.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.406 17.201 16.731 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.369 18.642 16.605 1.00 0.00 H new ATOM 99 N LEU A 14 5.269 15.921 17.905 1.00 0.00 N ATOM 100 CA LEU A 14 5.180 14.526 17.388 1.00 0.00 C ATOM 101 C LEU A 14 4.719 14.552 15.929 1.00 0.00 C ATOM 102 O LEU A 14 4.335 13.544 15.371 1.00 0.00 O ATOM 103 CB LEU A 14 4.175 13.734 18.226 1.00 0.00 C ATOM 104 CG LEU A 14 2.891 14.549 18.387 1.00 0.00 C ATOM 105 CD1 LEU A 14 1.680 13.624 18.263 1.00 0.00 C ATOM 106 CD2 LEU A 14 2.881 15.217 19.764 1.00 0.00 C ATOM 0 H LEU A 14 4.511 16.540 17.618 1.00 0.00 H new ATOM 0 HA LEU A 14 6.159 14.052 17.452 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.955 12.781 17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.600 13.507 19.204 1.00 0.00 H new ATOM 0 HG LEU A 14 2.846 15.313 17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.765 14.205 18.378 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.686 13.146 17.283 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.725 12.860 19.039 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.966 15.798 19.880 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.926 14.452 20.540 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.744 15.877 19.855 1.00 0.00 H new ATOM 118 N GLU A 15 4.755 15.699 15.306 1.00 0.00 N ATOM 119 CA GLU A 15 4.320 15.789 13.885 1.00 0.00 C ATOM 120 C GLU A 15 4.212 17.260 13.478 1.00 0.00 C ATOM 121 O GLU A 15 3.153 17.852 13.528 1.00 0.00 O ATOM 122 CB GLU A 15 2.955 15.114 13.726 1.00 0.00 C ATOM 123 CG GLU A 15 3.035 14.049 12.631 1.00 0.00 C ATOM 124 CD GLU A 15 1.668 13.900 11.961 1.00 0.00 C ATOM 125 OE1 GLU A 15 0.783 14.673 12.288 1.00 0.00 O ATOM 126 OE2 GLU A 15 1.531 13.016 11.132 1.00 0.00 O ATOM 0 H GLU A 15 5.067 16.577 15.721 1.00 0.00 H new ATOM 0 HA GLU A 15 5.049 15.288 13.248 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.651 14.659 14.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.198 15.856 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.785 14.329 11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.348 13.096 13.058 1.00 0.00 H new ATOM 133 N GLU A 16 5.301 17.855 13.075 1.00 0.00 N ATOM 134 CA GLU A 16 5.260 19.287 12.667 1.00 0.00 C ATOM 135 C GLU A 16 6.240 19.517 11.514 1.00 0.00 C ATOM 136 O GLU A 16 5.846 19.770 10.393 1.00 0.00 O ATOM 137 CB GLU A 16 5.655 20.167 13.855 1.00 0.00 C ATOM 138 CG GLU A 16 4.405 20.829 14.439 1.00 0.00 C ATOM 139 CD GLU A 16 4.476 20.794 15.967 1.00 0.00 C ATOM 140 OE1 GLU A 16 5.551 20.540 16.485 1.00 0.00 O ATOM 141 OE2 GLU A 16 3.454 21.021 16.592 1.00 0.00 O ATOM 0 H GLU A 16 6.217 17.411 13.011 1.00 0.00 H new ATOM 0 HA GLU A 16 4.251 19.544 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.151 19.566 14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.367 20.928 13.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.330 21.859 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.511 20.310 14.094 1.00 0.00 H new ATOM 148 N GLU A 17 7.514 19.431 11.781 1.00 0.00 N ATOM 149 CA GLU A 17 8.518 19.645 10.700 1.00 0.00 C ATOM 150 C GLU A 17 8.772 18.324 9.973 1.00 0.00 C ATOM 151 O GLU A 17 8.806 17.269 10.575 1.00 0.00 O ATOM 152 CB GLU A 17 9.825 20.151 11.312 1.00 0.00 C ATOM 153 CG GLU A 17 10.729 20.698 10.206 1.00 0.00 C ATOM 154 CD GLU A 17 11.863 21.514 10.830 1.00 0.00 C ATOM 155 OE1 GLU A 17 12.754 20.910 11.406 1.00 0.00 O ATOM 156 OE2 GLU A 17 11.823 22.729 10.720 1.00 0.00 O ATOM 0 H GLU A 17 7.903 19.222 12.700 1.00 0.00 H new ATOM 0 HA GLU A 17 8.140 20.382 9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.618 20.930 12.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.329 19.342 11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.139 19.877 9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.151 21.321 9.524 1.00 0.00 H new ATOM 163 N GLU A 18 8.954 18.372 8.681 1.00 0.00 N ATOM 164 CA GLU A 18 9.205 17.119 7.917 1.00 0.00 C ATOM 165 C GLU A 18 10.687 16.751 8.015 1.00 0.00 C ATOM 166 O GLU A 18 11.556 17.547 7.721 1.00 0.00 O ATOM 167 CB GLU A 18 8.830 17.331 6.448 1.00 0.00 C ATOM 168 CG GLU A 18 8.536 15.980 5.796 1.00 0.00 C ATOM 169 CD GLU A 18 8.893 16.042 4.310 1.00 0.00 C ATOM 170 OE1 GLU A 18 8.867 17.131 3.760 1.00 0.00 O ATOM 171 OE2 GLU A 18 9.187 15.000 3.747 1.00 0.00 O ATOM 0 H GLU A 18 8.940 19.225 8.123 1.00 0.00 H new ATOM 0 HA GLU A 18 8.600 16.313 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.957 17.980 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.644 17.831 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.111 15.195 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.483 15.727 5.918 1.00 0.00 H new ATOM 178 N GLU A 19 10.984 15.548 8.428 1.00 0.00 N ATOM 179 CA GLU A 19 12.408 15.131 8.545 1.00 0.00 C ATOM 180 C GLU A 19 12.693 13.998 7.556 1.00 0.00 C ATOM 181 O GLU A 19 13.402 13.059 7.860 1.00 0.00 O ATOM 182 CB GLU A 19 12.683 14.646 9.971 1.00 0.00 C ATOM 183 CG GLU A 19 14.175 14.778 10.278 1.00 0.00 C ATOM 184 CD GLU A 19 14.438 16.122 10.962 1.00 0.00 C ATOM 185 OE1 GLU A 19 14.330 16.176 12.175 1.00 0.00 O ATOM 186 OE2 GLU A 19 14.743 17.072 10.261 1.00 0.00 O ATOM 0 H GLU A 19 10.301 14.837 8.689 1.00 0.00 H new ATOM 0 HA GLU A 19 13.054 15.980 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.102 15.231 10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.369 13.608 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.498 13.960 10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.754 14.707 9.357 1.00 0.00 H new ATOM 193 N GLU A 20 12.143 14.076 6.376 1.00 0.00 N ATOM 194 CA GLU A 20 12.383 13.004 5.369 1.00 0.00 C ATOM 195 C GLU A 20 11.787 11.688 5.873 1.00 0.00 C ATOM 196 O GLU A 20 11.360 11.581 7.005 1.00 0.00 O ATOM 197 CB GLU A 20 13.888 12.833 5.154 1.00 0.00 C ATOM 198 CG GLU A 20 14.176 12.655 3.662 1.00 0.00 C ATOM 199 CD GLU A 20 15.251 11.585 3.472 1.00 0.00 C ATOM 200 OE1 GLU A 20 15.128 10.534 4.079 1.00 0.00 O ATOM 201 OE2 GLU A 20 16.181 11.835 2.723 1.00 0.00 O ATOM 0 H GLU A 20 11.538 14.836 6.065 1.00 0.00 H new ATOM 0 HA GLU A 20 11.911 13.279 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.421 13.703 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.249 11.968 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.265 12.367 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.508 13.599 3.230 1.00 0.00 H new ATOM 208 N TYR A 21 11.756 10.685 5.039 1.00 0.00 N ATOM 209 CA TYR A 21 11.188 9.375 5.470 1.00 0.00 C ATOM 210 C TYR A 21 9.668 9.496 5.602 1.00 0.00 C ATOM 211 O TYR A 21 9.117 9.350 6.675 1.00 0.00 O ATOM 212 CB TYR A 21 11.789 8.978 6.820 1.00 0.00 C ATOM 213 CG TYR A 21 11.821 7.473 6.935 1.00 0.00 C ATOM 214 CD1 TYR A 21 10.762 6.708 6.429 1.00 0.00 C ATOM 215 CD2 TYR A 21 12.910 6.841 7.549 1.00 0.00 C ATOM 216 CE1 TYR A 21 10.793 5.311 6.537 1.00 0.00 C ATOM 217 CE2 TYR A 21 12.941 5.444 7.658 1.00 0.00 C ATOM 218 CZ TYR A 21 11.882 4.679 7.151 1.00 0.00 C ATOM 219 OH TYR A 21 11.912 3.304 7.257 1.00 0.00 O ATOM 0 H TYR A 21 12.099 10.715 4.079 1.00 0.00 H new ATOM 0 HA TYR A 21 11.428 8.613 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 21 12.797 9.382 6.914 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.198 9.403 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.922 7.195 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.726 7.431 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.977 4.721 6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.780 4.957 8.132 1.00 0.00 H new ATOM 0 HH TYR A 21 12.737 3.029 7.708 1.00 0.00 H new ATOM 229 N VAL A 22 8.987 9.761 4.521 1.00 0.00 N ATOM 230 CA VAL A 22 7.505 9.889 4.589 1.00 0.00 C ATOM 231 C VAL A 22 6.868 9.008 3.513 1.00 0.00 C ATOM 232 O VAL A 22 7.502 8.640 2.543 1.00 0.00 O ATOM 233 CB VAL A 22 7.106 11.348 4.356 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.592 11.496 4.513 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.814 12.236 5.382 1.00 0.00 C ATOM 0 H VAL A 22 9.393 9.894 3.595 1.00 0.00 H new ATOM 0 HA VAL A 22 7.158 9.571 5.572 1.00 0.00 H new ATOM 0 HB VAL A 22 7.396 11.649 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.309 12.535 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.087 10.861 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.300 11.197 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.532 13.276 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.522 11.934 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.893 12.131 5.271 1.00 0.00 H new ATOM 245 N VAL A 23 5.619 8.667 3.673 1.00 0.00 N ATOM 246 CA VAL A 23 4.945 7.810 2.659 1.00 0.00 C ATOM 247 C VAL A 23 4.046 8.681 1.781 1.00 0.00 C ATOM 248 O VAL A 23 3.298 9.506 2.267 1.00 0.00 O ATOM 249 CB VAL A 23 4.098 6.752 3.366 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.670 5.682 2.360 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.922 6.103 4.481 1.00 0.00 C ATOM 0 H VAL A 23 5.036 8.945 4.463 1.00 0.00 H new ATOM 0 HA VAL A 23 5.695 7.317 2.040 1.00 0.00 H new ATOM 0 HB VAL A 23 3.212 7.222 3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.066 4.928 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.084 6.143 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.555 5.211 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.320 5.348 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.808 5.633 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.226 6.865 5.199 1.00 0.00 H new ATOM 261 N GLU A 24 4.113 8.507 0.490 1.00 0.00 N ATOM 262 CA GLU A 24 3.261 9.328 -0.414 1.00 0.00 C ATOM 263 C GLU A 24 1.954 8.585 -0.696 1.00 0.00 C ATOM 264 O GLU A 24 0.952 9.180 -1.036 1.00 0.00 O ATOM 265 CB GLU A 24 4.002 9.575 -1.729 1.00 0.00 C ATOM 266 CG GLU A 24 4.882 10.819 -1.595 1.00 0.00 C ATOM 267 CD GLU A 24 4.027 12.072 -1.784 1.00 0.00 C ATOM 268 OE1 GLU A 24 2.890 11.933 -2.204 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.523 13.152 -1.503 1.00 0.00 O ATOM 0 H GLU A 24 4.720 7.833 0.023 1.00 0.00 H new ATOM 0 HA GLU A 24 3.040 10.283 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.614 8.709 -1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.288 9.708 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.359 10.836 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.680 10.795 -2.338 1.00 0.00 H new ATOM 276 N LYS A 25 1.959 7.287 -0.555 1.00 0.00 N ATOM 277 CA LYS A 25 0.716 6.506 -0.815 1.00 0.00 C ATOM 278 C LYS A 25 1.069 5.026 -0.976 1.00 0.00 C ATOM 279 O LYS A 25 2.201 4.623 -0.790 1.00 0.00 O ATOM 280 CB LYS A 25 0.054 7.014 -2.098 1.00 0.00 C ATOM 281 CG LYS A 25 1.133 7.399 -3.111 1.00 0.00 C ATOM 282 CD LYS A 25 0.716 6.927 -4.505 1.00 0.00 C ATOM 283 CE LYS A 25 0.073 8.089 -5.266 1.00 0.00 C ATOM 284 NZ LYS A 25 0.567 8.094 -6.672 1.00 0.00 N ATOM 0 H LYS A 25 2.768 6.735 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 25 0.028 6.627 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.593 6.243 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.577 7.875 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.279 8.479 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.086 6.948 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.584 6.557 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.013 6.098 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.013 7.992 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.315 9.034 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.131 8.883 -7.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.601 8.206 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.314 7.196 -7.132 1.00 0.00 H new ATOM 298 N VAL A 26 0.109 4.212 -1.322 1.00 0.00 N ATOM 299 CA VAL A 26 0.392 2.759 -1.495 1.00 0.00 C ATOM 300 C VAL A 26 0.703 2.476 -2.967 1.00 0.00 C ATOM 301 O VAL A 26 1.195 3.327 -3.680 1.00 0.00 O ATOM 302 CB VAL A 26 -0.830 1.941 -1.066 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.373 0.584 -0.528 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.588 2.688 0.035 1.00 0.00 C ATOM 0 H VAL A 26 -0.858 4.490 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 26 1.247 2.480 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.484 1.795 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.243 0.002 -0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.168 0.047 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.282 0.735 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.457 2.104 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.932 2.835 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.915 3.657 -0.342 1.00 0.00 H new ATOM 314 N LEU A 27 0.420 1.288 -3.426 1.00 0.00 N ATOM 315 CA LEU A 27 0.701 0.958 -4.852 1.00 0.00 C ATOM 316 C LEU A 27 0.097 -0.407 -5.188 1.00 0.00 C ATOM 317 O LEU A 27 -0.424 -0.618 -6.265 1.00 0.00 O ATOM 318 CB LEU A 27 2.214 0.914 -5.078 1.00 0.00 C ATOM 319 CG LEU A 27 2.668 2.214 -5.744 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.511 3.025 -4.758 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.508 1.885 -6.980 1.00 0.00 C ATOM 0 H LEU A 27 0.008 0.533 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 27 0.259 1.720 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.731 0.780 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.474 0.061 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 27 1.795 2.795 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.835 3.951 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.915 3.258 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.385 2.444 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.833 2.810 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.381 1.304 -6.682 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.909 1.306 -7.683 1.00 0.00 H new ATOM 333 N ASP A 28 0.160 -1.336 -4.274 1.00 0.00 N ATOM 334 CA ASP A 28 -0.411 -2.686 -4.543 1.00 0.00 C ATOM 335 C ASP A 28 -0.264 -3.560 -3.296 1.00 0.00 C ATOM 336 O ASP A 28 -0.118 -3.069 -2.194 1.00 0.00 O ATOM 337 CB ASP A 28 0.336 -3.332 -5.710 1.00 0.00 C ATOM 338 CG ASP A 28 -0.663 -3.742 -6.793 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.450 -4.638 -6.537 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.626 -3.152 -7.860 1.00 0.00 O ATOM 0 H ASP A 28 0.582 -1.219 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.467 -2.590 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.066 -2.633 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.890 -4.204 -5.363 1.00 0.00 H new ATOM 345 N ARG A 29 -0.301 -4.854 -3.461 1.00 0.00 N ATOM 346 CA ARG A 29 -0.162 -5.759 -2.286 1.00 0.00 C ATOM 347 C ARG A 29 -0.153 -7.214 -2.760 1.00 0.00 C ATOM 348 O ARG A 29 -0.854 -7.581 -3.683 1.00 0.00 O ATOM 349 CB ARG A 29 -1.339 -5.539 -1.333 1.00 0.00 C ATOM 350 CG ARG A 29 -2.652 -5.807 -2.070 1.00 0.00 C ATOM 351 CD ARG A 29 -3.829 -5.550 -1.127 1.00 0.00 C ATOM 352 NE ARG A 29 -4.875 -6.589 -1.343 1.00 0.00 N ATOM 353 CZ ARG A 29 -6.136 -6.288 -1.193 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.622 -5.216 -1.759 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.911 -7.057 -0.478 1.00 0.00 N ATOM 0 H ARG A 29 -0.421 -5.323 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 29 0.772 -5.542 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.252 -6.202 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.326 -4.518 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.727 -5.163 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.677 -6.836 -2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.490 -5.570 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.244 -4.558 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.605 -7.536 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.016 -4.615 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.607 -4.980 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.531 -7.894 -0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.896 -6.821 -0.361 1.00 0.00 H new ATOM 369 N ARG A 30 0.635 -8.045 -2.136 1.00 0.00 N ATOM 370 CA ARG A 30 0.689 -9.476 -2.549 1.00 0.00 C ATOM 371 C ARG A 30 0.903 -10.354 -1.315 1.00 0.00 C ATOM 372 O ARG A 30 1.550 -9.959 -0.365 1.00 0.00 O ATOM 373 CB ARG A 30 1.848 -9.681 -3.527 1.00 0.00 C ATOM 374 CG ARG A 30 3.176 -9.541 -2.780 1.00 0.00 C ATOM 375 CD ARG A 30 4.334 -9.619 -3.777 1.00 0.00 C ATOM 376 NE ARG A 30 5.413 -10.480 -3.219 1.00 0.00 N ATOM 377 CZ ARG A 30 5.717 -11.607 -3.801 1.00 0.00 C ATOM 378 NH1 ARG A 30 4.769 -12.401 -4.218 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.968 -11.939 -3.968 1.00 0.00 N ATOM 0 H ARG A 30 1.244 -7.795 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.248 -9.750 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.780 -10.667 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.792 -8.949 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.206 -8.592 -2.245 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.271 -10.330 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.984 -10.025 -4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.720 -8.620 -3.981 1.00 0.00 H new ATOM 0 HE ARG A 30 5.915 -10.188 -2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.791 -12.140 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.006 -13.283 -4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.708 -11.317 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.205 -12.820 -4.423 1.00 0.00 H new ATOM 393 N VAL A 31 0.364 -11.542 -1.319 1.00 0.00 N ATOM 394 CA VAL A 31 0.540 -12.441 -0.144 1.00 0.00 C ATOM 395 C VAL A 31 1.429 -13.625 -0.537 1.00 0.00 C ATOM 396 O VAL A 31 1.653 -13.889 -1.701 1.00 0.00 O ATOM 397 CB VAL A 31 -0.833 -12.950 0.319 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.667 -14.211 1.173 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.515 -11.866 1.155 1.00 0.00 C ATOM 0 H VAL A 31 -0.190 -11.928 -2.084 1.00 0.00 H new ATOM 0 HA VAL A 31 1.013 -11.892 0.671 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.439 -13.187 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.647 -14.563 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.178 -14.987 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.058 -13.981 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.490 -12.222 1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.899 -11.635 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.643 -10.967 0.551 1.00 0.00 H new ATOM 409 N VAL A 32 1.933 -14.337 0.431 1.00 0.00 N ATOM 410 CA VAL A 32 2.806 -15.504 0.130 1.00 0.00 C ATOM 411 C VAL A 32 2.203 -16.756 0.766 1.00 0.00 C ATOM 412 O VAL A 32 1.987 -17.758 0.115 1.00 0.00 O ATOM 413 CB VAL A 32 4.197 -15.258 0.714 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.096 -16.460 0.421 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.801 -14.002 0.081 1.00 0.00 C ATOM 0 H VAL A 32 1.777 -14.159 1.423 1.00 0.00 H new ATOM 0 HA VAL A 32 2.883 -15.640 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 32 4.118 -15.120 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.087 -16.283 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.667 -17.354 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.176 -16.601 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.793 -13.826 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.879 -14.140 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.162 -13.145 0.292 1.00 0.00 H new ATOM 425 N LYS A 33 1.929 -16.698 2.039 1.00 0.00 N ATOM 426 CA LYS A 33 1.338 -17.874 2.736 1.00 0.00 C ATOM 427 C LYS A 33 0.633 -17.394 4.004 1.00 0.00 C ATOM 428 O LYS A 33 0.436 -18.143 4.941 1.00 0.00 O ATOM 429 CB LYS A 33 2.451 -18.852 3.111 1.00 0.00 C ATOM 430 CG LYS A 33 3.582 -18.088 3.801 1.00 0.00 C ATOM 431 CD LYS A 33 4.171 -18.947 4.921 1.00 0.00 C ATOM 432 CE LYS A 33 5.183 -18.124 5.720 1.00 0.00 C ATOM 433 NZ LYS A 33 5.689 -18.933 6.864 1.00 0.00 N ATOM 0 H LYS A 33 2.090 -15.882 2.630 1.00 0.00 H new ATOM 0 HA LYS A 33 0.623 -18.374 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.063 -19.626 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.826 -19.353 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.357 -17.834 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.205 -17.150 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.376 -19.302 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.655 -19.829 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.011 -17.824 5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.716 -17.210 6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.377 -18.374 7.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.894 -19.198 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.149 -19.793 6.504 1.00 0.00 H new ATOM 447 N GLY A 34 0.259 -16.146 4.042 1.00 0.00 N ATOM 448 CA GLY A 34 -0.426 -15.605 5.249 1.00 0.00 C ATOM 449 C GLY A 34 0.177 -14.245 5.605 1.00 0.00 C ATOM 450 O GLY A 34 -0.321 -13.539 6.459 1.00 0.00 O ATOM 0 H GLY A 34 0.399 -15.475 3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.495 -15.504 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.314 -16.295 6.085 1.00 0.00 H new ATOM 454 N LYS A 35 1.248 -13.870 4.955 1.00 0.00 N ATOM 455 CA LYS A 35 1.880 -12.556 5.258 1.00 0.00 C ATOM 456 C LYS A 35 1.413 -11.519 4.234 1.00 0.00 C ATOM 457 O LYS A 35 1.912 -11.456 3.127 1.00 0.00 O ATOM 458 CB LYS A 35 3.403 -12.694 5.185 1.00 0.00 C ATOM 459 CG LYS A 35 3.896 -13.540 6.360 1.00 0.00 C ATOM 460 CD LYS A 35 5.423 -13.618 6.328 1.00 0.00 C ATOM 461 CE LYS A 35 5.881 -14.094 4.948 1.00 0.00 C ATOM 462 NZ LYS A 35 7.288 -14.582 5.033 1.00 0.00 N ATOM 0 H LYS A 35 1.710 -14.417 4.229 1.00 0.00 H new ATOM 0 HA LYS A 35 1.591 -12.235 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.692 -13.159 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.870 -11.709 5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.563 -13.103 7.301 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.469 -14.541 6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.852 -12.641 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.779 -14.303 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.229 -14.891 4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.810 -13.279 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.600 -14.906 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.905 -13.809 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.341 -15.372 5.708 1.00 0.00 H new ATOM 476 N VAL A 36 0.459 -10.705 4.594 1.00 0.00 N ATOM 477 CA VAL A 36 -0.040 -9.673 3.640 1.00 0.00 C ATOM 478 C VAL A 36 1.016 -8.579 3.472 1.00 0.00 C ATOM 479 O VAL A 36 1.589 -8.103 4.432 1.00 0.00 O ATOM 480 CB VAL A 36 -1.329 -9.058 4.185 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.717 -7.847 3.335 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.452 -10.097 4.132 1.00 0.00 C ATOM 0 H VAL A 36 0.003 -10.709 5.507 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.238 -10.137 2.674 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.172 -8.743 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.636 -7.409 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.918 -7.106 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.873 -8.162 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.371 -9.659 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.608 -10.412 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.177 -10.961 4.738 1.00 0.00 H new ATOM 492 N GLU A 37 1.276 -8.176 2.259 1.00 0.00 N ATOM 493 CA GLU A 37 2.294 -7.112 2.028 1.00 0.00 C ATOM 494 C GLU A 37 1.654 -5.951 1.265 1.00 0.00 C ATOM 495 O GLU A 37 0.752 -6.138 0.473 1.00 0.00 O ATOM 496 CB GLU A 37 3.453 -7.685 1.209 1.00 0.00 C ATOM 497 CG GLU A 37 3.925 -8.997 1.838 1.00 0.00 C ATOM 498 CD GLU A 37 5.452 -9.064 1.792 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.999 -8.932 0.710 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.049 -9.248 2.840 1.00 0.00 O ATOM 0 H GLU A 37 0.828 -8.537 1.417 1.00 0.00 H new ATOM 0 HA GLU A 37 2.669 -6.753 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.135 -7.856 0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.275 -6.970 1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.578 -9.064 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.497 -9.844 1.302 1.00 0.00 H new ATOM 507 N TYR A 38 2.114 -4.753 1.497 1.00 0.00 N ATOM 508 CA TYR A 38 1.531 -3.581 0.783 1.00 0.00 C ATOM 509 C TYR A 38 2.656 -2.752 0.160 1.00 0.00 C ATOM 510 O TYR A 38 3.527 -2.254 0.845 1.00 0.00 O ATOM 511 CB TYR A 38 0.750 -2.716 1.775 1.00 0.00 C ATOM 512 CG TYR A 38 -0.650 -3.262 1.924 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.578 -3.102 0.886 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.022 -3.926 3.101 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.877 -3.608 1.025 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.322 -4.432 3.239 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.250 -4.272 2.200 1.00 0.00 C ATOM 518 OH TYR A 38 -4.530 -4.770 2.337 1.00 0.00 O ATOM 0 H TYR A 38 2.867 -4.534 2.149 1.00 0.00 H new ATOM 0 HA TYR A 38 0.860 -3.931 -0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.253 -2.708 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.714 -1.684 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.292 -2.589 -0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.307 -4.048 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.592 -3.486 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.609 -4.945 4.145 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.621 -5.202 3.212 1.00 0.00 H new ATOM 528 N LEU A 39 2.643 -2.598 -1.135 1.00 0.00 N ATOM 529 CA LEU A 39 3.710 -1.801 -1.801 1.00 0.00 C ATOM 530 C LEU A 39 3.360 -0.313 -1.720 1.00 0.00 C ATOM 531 O LEU A 39 2.320 0.114 -2.181 1.00 0.00 O ATOM 532 CB LEU A 39 3.821 -2.219 -3.269 1.00 0.00 C ATOM 533 CG LEU A 39 5.063 -1.580 -3.890 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.239 -2.555 -3.798 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.787 -1.254 -5.360 1.00 0.00 C ATOM 0 H LEU A 39 1.939 -2.990 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 39 4.662 -1.980 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.881 -3.305 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.929 -1.910 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 39 5.307 -0.664 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.125 -2.100 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.436 -2.790 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.995 -3.471 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.672 -0.798 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.543 -2.171 -5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.949 -0.560 -5.428 1.00 0.00 H new ATOM 547 N LEU A 40 4.217 0.479 -1.136 1.00 0.00 N ATOM 548 CA LEU A 40 3.929 1.936 -1.027 1.00 0.00 C ATOM 549 C LEU A 40 5.098 2.735 -1.606 1.00 0.00 C ATOM 550 O LEU A 40 6.210 2.253 -1.691 1.00 0.00 O ATOM 551 CB LEU A 40 3.740 2.311 0.445 1.00 0.00 C ATOM 552 CG LEU A 40 2.635 1.450 1.057 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.253 0.419 2.002 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.670 2.344 1.840 1.00 0.00 C ATOM 0 H LEU A 40 5.104 0.180 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 40 3.020 2.166 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.672 2.165 0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.482 3.367 0.531 1.00 0.00 H new ATOM 0 HG LEU A 40 2.094 0.935 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.464 -0.194 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.942 -0.217 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.794 0.932 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.881 1.732 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.213 2.858 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.228 3.079 1.167 1.00 0.00 H new ATOM 566 N LYS A 41 4.856 3.955 -2.001 1.00 0.00 N ATOM 567 CA LYS A 41 5.954 4.787 -2.568 1.00 0.00 C ATOM 568 C LYS A 41 6.593 5.606 -1.445 1.00 0.00 C ATOM 569 O LYS A 41 6.016 5.784 -0.391 1.00 0.00 O ATOM 570 CB LYS A 41 5.386 5.730 -3.631 1.00 0.00 C ATOM 571 CG LYS A 41 6.180 5.573 -4.930 1.00 0.00 C ATOM 572 CD LYS A 41 5.653 6.559 -5.974 1.00 0.00 C ATOM 573 CE LYS A 41 5.147 5.789 -7.194 1.00 0.00 C ATOM 574 NZ LYS A 41 5.240 6.657 -8.403 1.00 0.00 N ATOM 0 H LYS A 41 3.945 4.411 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 41 6.705 4.142 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.334 5.506 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.439 6.762 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.239 5.754 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.091 4.552 -5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.848 7.158 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.443 7.250 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.737 4.884 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.115 5.475 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.960 6.112 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.606 7.474 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.219 6.990 -8.517 1.00 0.00 H new ATOM 588 N TRP A 42 7.780 6.104 -1.657 1.00 0.00 N ATOM 589 CA TRP A 42 8.446 6.906 -0.593 1.00 0.00 C ATOM 590 C TRP A 42 9.020 8.189 -1.197 1.00 0.00 C ATOM 591 O TRP A 42 9.683 8.166 -2.215 1.00 0.00 O ATOM 592 CB TRP A 42 9.576 6.084 0.029 1.00 0.00 C ATOM 593 CG TRP A 42 9.019 4.812 0.580 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.942 3.641 -0.093 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.460 4.561 1.902 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.371 2.688 0.731 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.057 3.206 1.971 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.265 5.372 3.038 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.482 2.674 3.126 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.686 4.838 4.202 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.295 3.491 4.245 1.00 0.00 C ATOM 0 H TRP A 42 8.316 5.991 -2.518 1.00 0.00 H new ATOM 0 HA TRP A 42 7.717 7.165 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.337 5.866 -0.720 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.062 6.654 0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.272 3.477 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.203 1.720 0.456 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.562 6.410 3.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.183 1.637 3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.541 5.467 5.068 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.850 3.086 5.142 1.00 0.00 H new ATOM 612 N LYS A 43 8.772 9.309 -0.575 1.00 0.00 N ATOM 613 CA LYS A 43 9.304 10.594 -1.110 1.00 0.00 C ATOM 614 C LYS A 43 10.604 10.952 -0.385 1.00 0.00 C ATOM 615 O LYS A 43 11.193 11.988 -0.624 1.00 0.00 O ATOM 616 CB LYS A 43 8.275 11.704 -0.889 1.00 0.00 C ATOM 617 CG LYS A 43 7.643 11.553 0.496 1.00 0.00 C ATOM 618 CD LYS A 43 6.854 12.816 0.838 1.00 0.00 C ATOM 619 CE LYS A 43 7.768 13.814 1.553 1.00 0.00 C ATOM 620 NZ LYS A 43 7.061 15.117 1.704 1.00 0.00 N ATOM 0 H LYS A 43 8.224 9.390 0.281 1.00 0.00 H new ATOM 0 HA LYS A 43 9.501 10.488 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.754 12.679 -0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.504 11.657 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.985 10.684 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.417 11.382 1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.451 13.263 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.005 12.565 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.052 13.427 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.688 13.951 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.757 15.873 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.523 15.322 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.409 15.067 2.513 1.00 0.00 H new ATOM 634 N GLY A 44 11.057 10.107 0.500 1.00 0.00 N ATOM 635 CA GLY A 44 12.317 10.404 1.237 1.00 0.00 C ATOM 636 C GLY A 44 13.512 9.841 0.463 1.00 0.00 C ATOM 637 O GLY A 44 14.637 9.895 0.917 1.00 0.00 O ATOM 0 H GLY A 44 10.609 9.224 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.429 11.481 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.278 9.966 2.234 1.00 0.00 H new ATOM 641 N PHE A 45 13.277 9.301 -0.701 1.00 0.00 N ATOM 642 CA PHE A 45 14.402 8.738 -1.501 1.00 0.00 C ATOM 643 C PHE A 45 14.191 9.064 -2.981 1.00 0.00 C ATOM 644 O PHE A 45 14.992 9.739 -3.597 1.00 0.00 O ATOM 645 CB PHE A 45 14.449 7.219 -1.315 1.00 0.00 C ATOM 646 CG PHE A 45 14.529 6.893 0.157 1.00 0.00 C ATOM 647 CD1 PHE A 45 13.359 6.825 0.924 1.00 0.00 C ATOM 648 CD2 PHE A 45 15.775 6.656 0.755 1.00 0.00 C ATOM 649 CE1 PHE A 45 13.435 6.522 2.290 1.00 0.00 C ATOM 650 CE2 PHE A 45 15.849 6.352 2.120 1.00 0.00 C ATOM 651 CZ PHE A 45 14.680 6.285 2.888 1.00 0.00 C ATOM 0 H PHE A 45 12.356 9.225 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 45 15.342 9.176 -1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.562 6.761 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.311 6.805 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.399 7.006 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 45 16.677 6.708 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.533 6.471 2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 45 16.808 6.169 2.581 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.738 6.051 3.941 1.00 0.00 H new ATOM 661 N SER A 46 13.118 8.592 -3.554 1.00 0.00 N ATOM 662 CA SER A 46 12.857 8.877 -4.993 1.00 0.00 C ATOM 663 C SER A 46 11.352 8.813 -5.259 1.00 0.00 C ATOM 664 O SER A 46 10.552 8.779 -4.345 1.00 0.00 O ATOM 665 CB SER A 46 13.571 7.837 -5.857 1.00 0.00 C ATOM 666 OG SER A 46 13.065 6.545 -5.551 1.00 0.00 O ATOM 0 H SER A 46 12.412 8.022 -3.089 1.00 0.00 H new ATOM 0 HA SER A 46 13.229 9.871 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.419 8.059 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.645 7.872 -5.675 1.00 0.00 H new ATOM 0 HG SER A 46 13.520 5.876 -6.105 1.00 0.00 H new ATOM 672 N ASP A 47 10.960 8.796 -6.503 1.00 0.00 N ATOM 673 CA ASP A 47 9.506 8.734 -6.824 1.00 0.00 C ATOM 674 C ASP A 47 9.087 7.275 -7.007 1.00 0.00 C ATOM 675 O ASP A 47 8.165 6.969 -7.735 1.00 0.00 O ATOM 676 CB ASP A 47 9.235 9.509 -8.116 1.00 0.00 C ATOM 677 CG ASP A 47 9.628 10.975 -7.925 1.00 0.00 C ATOM 678 OD1 ASP A 47 10.791 11.287 -8.123 1.00 0.00 O ATOM 679 OD2 ASP A 47 8.760 11.761 -7.582 1.00 0.00 O ATOM 0 H ASP A 47 11.583 8.822 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 47 8.934 9.177 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.802 9.074 -8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.180 9.436 -8.382 1.00 0.00 H new ATOM 684 N GLU A 48 9.761 6.370 -6.351 1.00 0.00 N ATOM 685 CA GLU A 48 9.404 4.931 -6.484 1.00 0.00 C ATOM 686 C GLU A 48 10.522 4.077 -5.885 1.00 0.00 C ATOM 687 O GLU A 48 11.395 3.601 -6.583 1.00 0.00 O ATOM 688 CB GLU A 48 9.230 4.582 -7.964 1.00 0.00 C ATOM 689 CG GLU A 48 10.332 5.257 -8.782 1.00 0.00 C ATOM 690 CD GLU A 48 10.911 4.257 -9.783 1.00 0.00 C ATOM 691 OE1 GLU A 48 11.482 3.272 -9.344 1.00 0.00 O ATOM 692 OE2 GLU A 48 10.774 4.492 -10.973 1.00 0.00 O ATOM 0 H GLU A 48 10.544 6.566 -5.728 1.00 0.00 H new ATOM 0 HA GLU A 48 8.471 4.735 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.271 3.501 -8.101 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.251 4.910 -8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.930 6.123 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.118 5.622 -8.121 1.00 0.00 H new ATOM 699 N ASP A 49 10.501 3.881 -4.597 1.00 0.00 N ATOM 700 CA ASP A 49 11.563 3.059 -3.951 1.00 0.00 C ATOM 701 C ASP A 49 11.099 1.604 -3.865 1.00 0.00 C ATOM 702 O ASP A 49 11.866 0.715 -3.553 1.00 0.00 O ATOM 703 CB ASP A 49 11.831 3.596 -2.544 1.00 0.00 C ATOM 704 CG ASP A 49 13.232 3.176 -2.094 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.186 3.585 -2.734 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.326 2.450 -1.118 1.00 0.00 O ATOM 0 H ASP A 49 9.795 4.254 -3.963 1.00 0.00 H new ATOM 0 HA ASP A 49 12.478 3.112 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.746 4.683 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.084 3.212 -1.849 1.00 0.00 H new ATOM 711 N ASN A 50 9.848 1.354 -4.143 1.00 0.00 N ATOM 712 CA ASN A 50 9.335 -0.044 -4.082 1.00 0.00 C ATOM 713 C ASN A 50 9.697 -0.665 -2.732 1.00 0.00 C ATOM 714 O ASN A 50 10.815 -1.089 -2.512 1.00 0.00 O ATOM 715 CB ASN A 50 9.963 -0.868 -5.207 1.00 0.00 C ATOM 716 CG ASN A 50 9.127 -0.718 -6.479 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.919 -0.614 -6.417 1.00 0.00 O ATOM 718 ND2 ASN A 50 9.724 -0.704 -7.640 1.00 0.00 N ATOM 0 H ASN A 50 9.159 2.058 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 50 8.251 -0.037 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.985 -0.535 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.017 -1.917 -4.917 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.176 -0.606 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.739 -0.791 -7.693 1.00 0.00 H new ATOM 725 N THR A 51 8.759 -0.726 -1.827 1.00 0.00 N ATOM 726 CA THR A 51 9.049 -1.322 -0.493 1.00 0.00 C ATOM 727 C THR A 51 7.779 -1.975 0.056 1.00 0.00 C ATOM 728 O THR A 51 6.801 -1.312 0.340 1.00 0.00 O ATOM 729 CB THR A 51 9.519 -0.225 0.465 1.00 0.00 C ATOM 730 OG1 THR A 51 9.955 0.900 -0.286 1.00 0.00 O ATOM 731 CG2 THR A 51 10.674 -0.749 1.320 1.00 0.00 C ATOM 0 H THR A 51 7.805 -0.389 -1.954 1.00 0.00 H new ATOM 0 HA THR A 51 9.832 -2.074 -0.590 1.00 0.00 H new ATOM 0 HB THR A 51 8.695 0.067 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.867 1.710 0.258 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.007 0.034 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.339 -1.612 1.895 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.501 -1.043 0.674 1.00 0.00 H new ATOM 739 N TRP A 52 7.785 -3.272 0.206 1.00 0.00 N ATOM 740 CA TRP A 52 6.578 -3.967 0.733 1.00 0.00 C ATOM 741 C TRP A 52 6.638 -4.006 2.261 1.00 0.00 C ATOM 742 O TRP A 52 7.678 -4.235 2.845 1.00 0.00 O ATOM 743 CB TRP A 52 6.534 -5.396 0.187 1.00 0.00 C ATOM 744 CG TRP A 52 6.543 -5.358 -1.308 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.604 -5.007 -2.073 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.463 -5.675 -2.234 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.241 -5.089 -3.402 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.939 -5.494 -3.552 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.130 -6.097 -2.063 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.133 -5.720 -4.659 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.308 -6.328 -3.181 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.810 -6.140 -4.479 1.00 0.00 C ATOM 0 H TRP A 52 8.574 -3.880 -0.014 1.00 0.00 H new ATOM 0 HA TRP A 52 5.683 -3.430 0.419 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.390 -5.963 0.552 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.639 -5.906 0.543 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.575 -4.711 -1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.866 -4.874 -4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.737 -6.244 -1.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.525 -5.572 -5.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.287 -6.651 -3.041 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.177 -6.319 -5.336 1.00 0.00 H new ATOM 763 N GLU A 53 5.530 -3.786 2.912 1.00 0.00 N ATOM 764 CA GLU A 53 5.525 -3.811 4.402 1.00 0.00 C ATOM 765 C GLU A 53 4.402 -4.731 4.893 1.00 0.00 C ATOM 766 O GLU A 53 3.459 -4.993 4.174 1.00 0.00 O ATOM 767 CB GLU A 53 5.295 -2.396 4.935 1.00 0.00 C ATOM 768 CG GLU A 53 6.623 -1.637 4.958 1.00 0.00 C ATOM 769 CD GLU A 53 6.559 -0.525 6.007 1.00 0.00 C ATOM 770 OE1 GLU A 53 5.931 -0.740 7.031 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.140 0.521 5.770 1.00 0.00 O ATOM 0 H GLU A 53 4.628 -3.590 2.478 1.00 0.00 H new ATOM 0 HA GLU A 53 6.484 -4.183 4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.575 -1.872 4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.871 -2.438 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.440 -2.321 5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.828 -1.213 3.975 1.00 0.00 H new ATOM 778 N PRO A 54 4.542 -5.192 6.109 1.00 0.00 N ATOM 779 CA PRO A 54 3.556 -6.089 6.737 1.00 0.00 C ATOM 780 C PRO A 54 2.340 -5.292 7.219 1.00 0.00 C ATOM 781 O PRO A 54 2.469 -4.300 7.909 1.00 0.00 O ATOM 782 CB PRO A 54 4.319 -6.690 7.919 1.00 0.00 C ATOM 783 CG PRO A 54 5.470 -5.706 8.241 1.00 0.00 C ATOM 784 CD PRO A 54 5.695 -4.862 6.971 1.00 0.00 C ATOM 0 HA PRO A 54 3.171 -6.848 6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.664 -6.816 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.710 -7.676 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.211 -5.070 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.377 -6.246 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.729 -3.797 7.201 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.639 -5.114 6.487 1.00 0.00 H new ATOM 792 N GLU A 55 1.160 -5.720 6.862 1.00 0.00 N ATOM 793 CA GLU A 55 -0.062 -4.988 7.300 1.00 0.00 C ATOM 794 C GLU A 55 -0.198 -5.090 8.821 1.00 0.00 C ATOM 795 O GLU A 55 -1.010 -4.419 9.428 1.00 0.00 O ATOM 796 CB GLU A 55 -1.293 -5.606 6.636 1.00 0.00 C ATOM 797 CG GLU A 55 -1.559 -6.988 7.237 1.00 0.00 C ATOM 798 CD GLU A 55 -2.810 -7.592 6.597 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.190 -7.129 5.534 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.367 -8.507 7.179 1.00 0.00 O ATOM 0 H GLU A 55 0.989 -6.545 6.286 1.00 0.00 H new ATOM 0 HA GLU A 55 0.019 -3.940 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.160 -4.962 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.136 -5.690 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.702 -7.640 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.693 -6.907 8.316 1.00 0.00 H new ATOM 807 N GLU A 56 0.590 -5.923 9.442 1.00 0.00 N ATOM 808 CA GLU A 56 0.506 -6.067 10.923 1.00 0.00 C ATOM 809 C GLU A 56 1.465 -5.077 11.587 1.00 0.00 C ATOM 810 O GLU A 56 2.002 -5.334 12.647 1.00 0.00 O ATOM 811 CB GLU A 56 0.893 -7.494 11.320 1.00 0.00 C ATOM 812 CG GLU A 56 0.104 -8.492 10.471 1.00 0.00 C ATOM 813 CD GLU A 56 -0.442 -9.605 11.366 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.759 -9.317 12.509 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.536 -10.727 10.896 1.00 0.00 O ATOM 0 H GLU A 56 1.289 -6.511 8.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.513 -5.862 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.963 -7.645 11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.687 -7.657 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.716 -7.985 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.746 -8.915 9.698 1.00 0.00 H new ATOM 822 N ASN A 57 1.684 -3.947 10.974 1.00 0.00 N ATOM 823 CA ASN A 57 2.608 -2.943 11.572 1.00 0.00 C ATOM 824 C ASN A 57 2.347 -1.572 10.944 1.00 0.00 C ATOM 825 O ASN A 57 2.273 -0.570 11.628 1.00 0.00 O ATOM 826 CB ASN A 57 4.056 -3.359 11.303 1.00 0.00 C ATOM 827 CG ASN A 57 4.414 -4.559 12.182 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.207 -5.693 11.795 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.947 -4.357 13.356 1.00 0.00 N ATOM 0 H ASN A 57 1.263 -3.675 10.085 1.00 0.00 H new ATOM 0 HA ASN A 57 2.439 -2.889 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.183 -3.615 10.251 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.729 -2.528 11.512 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.190 -5.150 13.949 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.121 -3.406 13.680 1.00 0.00 H new ATOM 836 N LEU A 58 2.208 -1.518 9.649 1.00 0.00 N ATOM 837 CA LEU A 58 1.952 -0.211 8.980 1.00 0.00 C ATOM 838 C LEU A 58 0.833 0.528 9.717 1.00 0.00 C ATOM 839 O LEU A 58 -0.284 0.056 9.803 1.00 0.00 O ATOM 840 CB LEU A 58 1.535 -0.455 7.529 1.00 0.00 C ATOM 841 CG LEU A 58 2.726 -0.199 6.605 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.478 -0.872 5.254 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.897 1.307 6.398 1.00 0.00 C ATOM 0 H LEU A 58 2.261 -2.322 9.024 1.00 0.00 H new ATOM 0 HA LEU A 58 2.859 0.393 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.181 -1.479 7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.707 0.202 7.262 1.00 0.00 H new ATOM 0 HG LEU A 58 3.629 -0.610 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.327 -0.689 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.356 -1.945 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.574 -0.461 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.746 1.490 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.993 1.717 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.074 1.789 7.360 1.00 0.00 H new ATOM 855 N ASP A 59 1.123 1.684 10.249 1.00 0.00 N ATOM 856 CA ASP A 59 0.075 2.452 10.978 1.00 0.00 C ATOM 857 C ASP A 59 -0.591 3.442 10.020 1.00 0.00 C ATOM 858 O ASP A 59 -0.747 4.608 10.327 1.00 0.00 O ATOM 859 CB ASP A 59 0.717 3.216 12.138 1.00 0.00 C ATOM 860 CG ASP A 59 0.751 2.324 13.380 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.143 1.507 13.524 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.671 2.474 14.167 1.00 0.00 O ATOM 0 H ASP A 59 2.040 2.129 10.210 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.675 1.764 11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.728 3.523 11.870 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.152 4.125 12.345 1.00 0.00 H new ATOM 867 N CYS A 60 -0.984 2.988 8.862 1.00 0.00 N ATOM 868 CA CYS A 60 -1.638 3.904 7.886 1.00 0.00 C ATOM 869 C CYS A 60 -2.871 3.217 7.290 1.00 0.00 C ATOM 870 O CYS A 60 -2.798 2.625 6.232 1.00 0.00 O ATOM 871 CB CYS A 60 -0.653 4.243 6.765 1.00 0.00 C ATOM 872 SG CYS A 60 -0.006 5.914 7.015 1.00 0.00 S ATOM 0 H CYS A 60 -0.881 2.023 8.550 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.940 4.820 8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.165 3.523 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.150 4.175 5.797 1.00 0.00 H new ATOM 0 HG CYS A 60 0.833 6.201 6.064 1.00 0.00 H new ATOM 878 N PRO A 61 -3.971 3.322 7.992 1.00 0.00 N ATOM 879 CA PRO A 61 -5.245 2.722 7.564 1.00 0.00 C ATOM 880 C PRO A 61 -5.901 3.581 6.479 1.00 0.00 C ATOM 881 O PRO A 61 -6.931 3.232 5.936 1.00 0.00 O ATOM 882 CB PRO A 61 -6.086 2.717 8.843 1.00 0.00 C ATOM 883 CG PRO A 61 -5.485 3.806 9.764 1.00 0.00 C ATOM 884 CD PRO A 61 -4.043 4.047 9.277 1.00 0.00 C ATOM 0 HA PRO A 61 -5.129 1.727 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.132 2.930 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.055 1.740 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.070 4.724 9.712 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.494 3.481 10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.838 5.110 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.312 3.667 9.991 1.00 0.00 H new ATOM 892 N ASP A 62 -5.311 4.699 6.156 1.00 0.00 N ATOM 893 CA ASP A 62 -5.901 5.576 5.106 1.00 0.00 C ATOM 894 C ASP A 62 -5.373 5.148 3.738 1.00 0.00 C ATOM 895 O ASP A 62 -6.099 5.111 2.764 1.00 0.00 O ATOM 896 CB ASP A 62 -5.507 7.030 5.373 1.00 0.00 C ATOM 897 CG ASP A 62 -6.173 7.937 4.337 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.232 7.573 3.854 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.611 8.979 4.044 1.00 0.00 O ATOM 0 H ASP A 62 -4.446 5.043 6.574 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.987 5.487 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.812 7.322 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.424 7.139 5.325 1.00 0.00 H new ATOM 904 N LEU A 63 -4.115 4.814 3.656 1.00 0.00 N ATOM 905 CA LEU A 63 -3.548 4.382 2.352 1.00 0.00 C ATOM 906 C LEU A 63 -3.920 2.922 2.116 1.00 0.00 C ATOM 907 O LEU A 63 -4.241 2.520 1.015 1.00 0.00 O ATOM 908 CB LEU A 63 -2.027 4.529 2.376 1.00 0.00 C ATOM 909 CG LEU A 63 -1.642 5.747 3.219 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.161 6.065 3.010 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.487 6.948 2.792 1.00 0.00 C ATOM 0 H LEU A 63 -3.457 4.822 4.436 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.950 5.002 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.571 3.629 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.646 4.642 1.361 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.821 5.532 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.113 6.932 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.441 5.209 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.020 6.281 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.214 7.816 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.307 7.163 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.543 6.722 2.941 1.00 0.00 H new ATOM 923 N ILE A 64 -3.886 2.124 3.148 1.00 0.00 N ATOM 924 CA ILE A 64 -4.246 0.692 2.987 1.00 0.00 C ATOM 925 C ILE A 64 -5.732 0.592 2.638 1.00 0.00 C ATOM 926 O ILE A 64 -6.148 -0.269 1.891 1.00 0.00 O ATOM 927 CB ILE A 64 -3.972 -0.055 4.293 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.534 0.214 4.741 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.166 -1.557 4.074 1.00 0.00 C ATOM 930 CD1 ILE A 64 -1.562 -0.534 3.826 1.00 0.00 C ATOM 0 H ILE A 64 -3.625 2.404 4.093 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.650 0.247 2.191 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.663 0.291 5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.327 1.284 4.711 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.398 -0.108 5.773 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.971 -2.089 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.190 -1.749 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.475 -1.905 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.538 -0.341 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.763 -1.604 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.691 -0.191 2.800 1.00 0.00 H new ATOM 942 N ALA A 65 -6.533 1.475 3.173 1.00 0.00 N ATOM 943 CA ALA A 65 -7.989 1.439 2.873 1.00 0.00 C ATOM 944 C ALA A 65 -8.290 2.365 1.690 1.00 0.00 C ATOM 945 O ALA A 65 -9.418 2.487 1.259 1.00 0.00 O ATOM 946 CB ALA A 65 -8.775 1.908 4.100 1.00 0.00 C ATOM 0 H ALA A 65 -6.239 2.219 3.805 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.282 0.420 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.842 1.882 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.562 1.250 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.482 2.927 4.352 1.00 0.00 H new ATOM 952 N GLU A 66 -7.289 3.016 1.162 1.00 0.00 N ATOM 953 CA GLU A 66 -7.523 3.929 0.008 1.00 0.00 C ATOM 954 C GLU A 66 -7.185 3.200 -1.292 1.00 0.00 C ATOM 955 O GLU A 66 -7.760 3.462 -2.330 1.00 0.00 O ATOM 956 CB GLU A 66 -6.634 5.167 0.146 1.00 0.00 C ATOM 957 CG GLU A 66 -6.696 5.986 -1.145 1.00 0.00 C ATOM 958 CD GLU A 66 -5.285 6.163 -1.708 1.00 0.00 C ATOM 959 OE1 GLU A 66 -4.341 5.939 -0.967 1.00 0.00 O ATOM 960 OE2 GLU A 66 -5.172 6.519 -2.869 1.00 0.00 O ATOM 0 H GLU A 66 -6.322 2.955 1.479 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.569 4.235 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.964 5.773 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.606 4.869 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.330 5.484 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.145 6.960 -0.949 1.00 0.00 H new ATOM 967 N PHE A 67 -6.255 2.285 -1.245 1.00 0.00 N ATOM 968 CA PHE A 67 -5.882 1.539 -2.478 1.00 0.00 C ATOM 969 C PHE A 67 -6.711 0.257 -2.568 1.00 0.00 C ATOM 970 O PHE A 67 -6.863 -0.322 -3.625 1.00 0.00 O ATOM 971 CB PHE A 67 -4.394 1.184 -2.429 1.00 0.00 C ATOM 972 CG PHE A 67 -4.074 0.197 -3.527 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.685 0.658 -4.793 1.00 0.00 C ATOM 974 CD2 PHE A 67 -4.166 -1.179 -3.281 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.388 -0.257 -5.811 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.870 -2.094 -4.300 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.481 -1.634 -5.565 1.00 0.00 C ATOM 0 H PHE A 67 -5.738 2.023 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.078 2.160 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.791 2.084 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.143 0.758 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.614 1.719 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.465 -1.535 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.087 0.098 -6.786 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.942 -3.155 -4.110 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.253 -2.340 -6.350 1.00 0.00 H new ATOM 987 N LEU A 68 -7.249 -0.194 -1.468 1.00 0.00 N ATOM 988 CA LEU A 68 -8.066 -1.439 -1.499 1.00 0.00 C ATOM 989 C LEU A 68 -9.512 -1.090 -1.865 1.00 0.00 C ATOM 990 O LEU A 68 -10.268 -1.926 -2.318 1.00 0.00 O ATOM 991 CB LEU A 68 -8.008 -2.127 -0.123 1.00 0.00 C ATOM 992 CG LEU A 68 -9.061 -1.540 0.825 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.424 -2.176 0.538 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.663 -1.842 2.272 1.00 0.00 C ATOM 0 H LEU A 68 -7.158 0.245 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.669 -2.123 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.174 -3.198 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.015 -2.004 0.309 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.122 -0.462 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.170 -1.757 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.711 -1.971 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.362 -3.254 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.409 -1.426 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.604 -2.921 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.692 -1.394 2.483 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.900 0.141 -1.675 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.295 0.545 -2.014 1.00 0.00 C ATOM 1008 C GLN A 69 -11.348 1.016 -3.467 1.00 0.00 C ATOM 1009 O GLN A 69 -12.368 0.926 -4.122 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.734 1.684 -1.091 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.225 1.962 -1.296 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.860 2.353 0.040 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.789 3.495 0.447 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.481 1.446 0.744 1.00 0.00 N ATOM 0 H GLN A 69 -9.312 0.885 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.963 -0.306 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.542 1.418 -0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.153 2.582 -1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.360 2.763 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.718 1.078 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.540 0.487 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.907 1.696 1.636 1.00 0.00 H new ATOM 1023 N SER A 70 -10.257 1.516 -3.979 1.00 0.00 N ATOM 1024 CA SER A 70 -10.247 1.991 -5.392 1.00 0.00 C ATOM 1025 C SER A 70 -10.551 0.816 -6.323 1.00 0.00 C ATOM 1026 O SER A 70 -11.058 0.990 -7.414 1.00 0.00 O ATOM 1027 CB SER A 70 -8.871 2.566 -5.728 1.00 0.00 C ATOM 1028 OG SER A 70 -7.879 1.573 -5.503 1.00 0.00 O ATOM 0 H SER A 70 -9.373 1.616 -3.481 1.00 0.00 H new ATOM 0 HA SER A 70 -11.003 2.765 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.845 2.893 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.670 3.443 -5.112 1.00 0.00 H new ATOM 0 HG SER A 70 -6.996 1.938 -5.719 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.245 -0.381 -5.903 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.519 -1.566 -6.765 1.00 0.00 C ATOM 1036 C GLN A 71 -12.017 -1.638 -7.062 1.00 0.00 C ATOM 1037 O GLN A 71 -12.432 -2.109 -8.101 1.00 0.00 O ATOM 1038 CB GLN A 71 -10.081 -2.838 -6.037 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.750 -3.325 -6.615 1.00 0.00 C ATOM 1040 CD GLN A 71 -8.096 -4.305 -5.639 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -8.564 -5.414 -5.468 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.027 -3.940 -4.985 1.00 0.00 N ATOM 0 H GLN A 71 -9.817 -0.590 -5.001 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.965 -1.475 -7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.976 -2.641 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.841 -3.612 -6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.915 -3.810 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.088 -2.478 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.634 -3.010 -5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.584 -4.585 -4.331 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.830 -1.170 -6.157 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.302 -1.207 -6.384 1.00 0.00 C ATOM 1053 C LYS A 72 -14.814 0.214 -6.633 1.00 0.00 C ATOM 1054 O LYS A 72 -15.947 0.418 -7.019 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.995 -1.791 -5.151 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.805 -0.848 -3.961 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.610 -1.363 -2.767 1.00 0.00 C ATOM 1058 CE LYS A 72 -14.656 -1.739 -1.631 1.00 0.00 C ATOM 1059 NZ LYS A 72 -13.584 -2.629 -2.158 1.00 0.00 N ATOM 0 H LYS A 72 -12.539 -0.763 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.521 -1.830 -7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.057 -1.931 -5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.582 -2.773 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.749 -0.783 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.130 0.158 -4.225 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.310 -0.598 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.202 -2.230 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.217 -0.840 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.203 -2.243 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.159 -3.163 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.991 -3.292 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.852 -2.054 -2.621 1.00 0.00 H new ATOM 1073 N THR A 73 -13.985 1.200 -6.415 1.00 0.00 N ATOM 1074 CA THR A 73 -14.422 2.606 -6.640 1.00 0.00 C ATOM 1075 C THR A 73 -13.349 3.351 -7.436 1.00 0.00 C ATOM 1076 O THR A 73 -12.753 4.296 -6.959 1.00 0.00 O ATOM 1077 CB THR A 73 -14.628 3.298 -5.290 1.00 0.00 C ATOM 1078 OG1 THR A 73 -15.339 2.429 -4.418 1.00 0.00 O ATOM 1079 CG2 THR A 73 -15.424 4.587 -5.490 1.00 0.00 C ATOM 0 H THR A 73 -13.024 1.091 -6.091 1.00 0.00 H new ATOM 0 HA THR A 73 -15.358 2.611 -7.198 1.00 0.00 H new ATOM 0 HB THR A 73 -13.659 3.538 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.470 2.870 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.569 5.078 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.877 5.253 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.394 4.351 -5.927 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.097 2.933 -8.646 1.00 0.00 N ATOM 1088 CA ALA A 74 -12.062 3.616 -9.470 1.00 0.00 C ATOM 1089 C ALA A 74 -12.742 4.466 -10.546 1.00 0.00 C ATOM 1090 O ALA A 74 -12.128 5.319 -11.155 1.00 0.00 O ATOM 1091 CB ALA A 74 -11.169 2.569 -10.137 1.00 0.00 C ATOM 0 H ALA A 74 -13.564 2.147 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.456 4.258 -8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.411 3.068 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.683 1.964 -9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.776 1.927 -10.775 1.00 0.00 H new ATOM 1097 N HIS A 75 -14.005 4.239 -10.785 1.00 0.00 N ATOM 1098 CA HIS A 75 -14.720 5.034 -11.823 1.00 0.00 C ATOM 1099 C HIS A 75 -15.613 6.075 -11.145 1.00 0.00 C ATOM 1100 O HIS A 75 -16.453 6.690 -11.772 1.00 0.00 O ATOM 1101 CB HIS A 75 -15.582 4.102 -12.676 1.00 0.00 C ATOM 1102 CG HIS A 75 -15.184 4.236 -14.121 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -15.175 3.154 -14.988 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -14.777 5.315 -14.864 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -14.777 3.604 -16.192 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -14.521 4.915 -16.172 1.00 0.00 N ATOM 0 H HIS A 75 -14.572 3.538 -10.307 1.00 0.00 H new ATOM 0 HA HIS A 75 -13.992 5.539 -12.458 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -15.457 3.070 -12.347 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.636 4.350 -12.553 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.671 6.323 -14.490 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -14.677 2.981 -17.068 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -14.206 5.497 -16.948 1.00 0.00 H new ATOM 1114 N GLU A 76 -15.441 6.279 -9.867 1.00 0.00 N ATOM 1115 CA GLU A 76 -16.280 7.280 -9.153 1.00 0.00 C ATOM 1116 C GLU A 76 -15.424 8.494 -8.785 1.00 0.00 C ATOM 1117 O GLU A 76 -15.793 9.296 -7.949 1.00 0.00 O ATOM 1118 CB GLU A 76 -16.851 6.652 -7.879 1.00 0.00 C ATOM 1119 CG GLU A 76 -18.276 6.165 -8.146 1.00 0.00 C ATOM 1120 CD GLU A 76 -18.233 4.741 -8.701 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -17.668 4.558 -9.767 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -18.766 3.856 -8.052 1.00 0.00 O ATOM 0 H GLU A 76 -14.755 5.795 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.098 7.596 -9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.225 5.819 -7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.850 7.381 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.859 6.190 -7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.771 6.828 -8.855 1.00 0.00 H new ATOM 1129 N THR A 77 -14.284 8.636 -9.401 1.00 0.00 N ATOM 1130 CA THR A 77 -13.405 9.797 -9.086 1.00 0.00 C ATOM 1131 C THR A 77 -12.876 10.403 -10.389 1.00 0.00 C ATOM 1132 O THR A 77 -11.695 10.359 -10.670 1.00 0.00 O ATOM 1133 CB THR A 77 -12.229 9.330 -8.226 1.00 0.00 C ATOM 1134 OG1 THR A 77 -11.722 8.108 -8.745 1.00 0.00 O ATOM 1135 CG2 THR A 77 -12.700 9.119 -6.786 1.00 0.00 C ATOM 0 H THR A 77 -13.922 7.998 -10.110 1.00 0.00 H new ATOM 0 HA THR A 77 -13.977 10.548 -8.541 1.00 0.00 H new ATOM 0 HB THR A 77 -11.444 10.086 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.433 8.241 -9.672 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.862 8.786 -6.174 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.089 10.057 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.485 8.363 -6.767 1.00 0.00 H new ATOM 1143 N ASP A 78 -13.741 10.970 -11.185 1.00 0.00 N ATOM 1144 CA ASP A 78 -13.286 11.577 -12.467 1.00 0.00 C ATOM 1145 C ASP A 78 -14.092 12.848 -12.743 1.00 0.00 C ATOM 1146 O ASP A 78 -13.647 13.947 -12.476 1.00 0.00 O ATOM 1147 CB ASP A 78 -13.501 10.580 -13.608 1.00 0.00 C ATOM 1148 CG ASP A 78 -12.145 10.111 -14.138 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -11.466 10.909 -14.762 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -11.808 8.960 -13.912 1.00 0.00 O ATOM 0 H ASP A 78 -14.742 11.039 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.227 11.826 -12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.080 9.727 -13.255 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.075 11.046 -14.409 1.00 0.00 H new ATOM 1155 N LYS A 79 -15.275 12.709 -13.277 1.00 0.00 N ATOM 1156 CA LYS A 79 -16.107 13.909 -13.569 1.00 0.00 C ATOM 1157 C LYS A 79 -17.554 13.642 -13.149 1.00 0.00 C ATOM 1158 O LYS A 79 -18.103 12.590 -13.413 1.00 0.00 O ATOM 1159 CB LYS A 79 -16.057 14.211 -15.069 1.00 0.00 C ATOM 1160 CG LYS A 79 -16.473 15.663 -15.311 1.00 0.00 C ATOM 1161 CD LYS A 79 -16.010 16.100 -16.703 1.00 0.00 C ATOM 1162 CE LYS A 79 -17.229 16.374 -17.584 1.00 0.00 C ATOM 1163 NZ LYS A 79 -17.339 15.311 -18.623 1.00 0.00 N ATOM 0 H LYS A 79 -15.701 11.815 -13.523 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.720 14.763 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.051 14.041 -15.452 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.721 13.536 -15.609 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -17.555 15.761 -15.228 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.035 16.310 -14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.394 16.996 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.391 15.324 -17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -18.133 16.398 -16.976 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.137 17.352 -18.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -18.168 15.496 -19.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.480 15.309 -19.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.445 14.385 -18.162 1.00 0.00 H new ATOM 1177 N SER A 80 -18.177 14.586 -12.499 1.00 0.00 N ATOM 1178 CA SER A 80 -19.588 14.386 -12.065 1.00 0.00 C ATOM 1179 C SER A 80 -20.534 14.889 -13.156 1.00 0.00 C ATOM 1180 O SER A 80 -20.866 16.063 -13.129 1.00 0.00 O ATOM 1181 CB SER A 80 -19.839 15.165 -10.773 1.00 0.00 C ATOM 1182 OG SER A 80 -19.404 14.389 -9.664 1.00 0.00 O ATOM 1183 OXT SER A 80 -20.912 14.093 -14.000 1.00 0.00 O ATOM 0 H SER A 80 -17.770 15.487 -12.250 1.00 0.00 H new ATOM 0 HA SER A 80 -19.767 13.325 -11.890 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.305 16.115 -10.798 1.00 0.00 H new ATOM 0 HB3 SER A 80 -20.899 15.397 -10.675 1.00 0.00 H new ATOM 0 HG SER A 80 -19.562 14.886 -8.835 1.00 0.00 H new TER 1189 SER A 80