USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 : X 1 GLY N :NH3+ 143:sc= 0.0186 (180deg=0) USER MOD Single : X 5 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 27 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.7!) USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 32 TYR OH : rot 180:sc= 0 USER MOD Single : X 34 SER OG : rot 180:sc= 0 USER MOD Single : X 35 SER OG : rot 180:sc= 0 USER MOD Single : X 36 SER OG : rot 180:sc= 0 USER MOD Single : X 41 GLN : amide:sc= -0.043 K(o=-0.043,f=-1.4!) USER MOD Single : X 42 THR OG1 : rot 180:sc= 0.326 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 136:sc= -2.2 (180deg=-3.5!) USER MOD Single : X 61 TYR OH : rot -119:sc= 1.2 USER MOD Single : X 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 69 LYS NZ :NH3+ -166:sc= -0.03 (180deg=-0.37) USER MOD Single : X 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 28.830 -16.798 28.354 1.00 0.00 N ATOM 2 CA GLY X 1 29.923 -17.545 29.035 1.00 0.00 C ATOM 3 C GLY X 1 31.071 -17.778 28.059 1.00 0.00 C ATOM 4 O GLY X 1 30.849 -18.092 26.890 1.00 0.00 O ATOM 0 H1 GLY X 1 27.910 -17.147 28.689 1.00 0.00 H new ATOM 0 H2 GLY X 1 28.915 -15.784 28.570 1.00 0.00 H new ATOM 0 H3 GLY X 1 28.901 -16.940 27.326 1.00 0.00 H new ATOM 0 HA2 GLY X 1 30.276 -16.984 29.900 1.00 0.00 H new ATOM 0 HA3 GLY X 1 29.549 -18.499 29.406 1.00 0.00 H new ATOM 10 N GLY X 2 32.297 -17.624 28.548 1.00 0.00 N ATOM 11 CA GLY X 2 33.474 -17.823 27.708 1.00 0.00 C ATOM 12 C GLY X 2 33.806 -16.558 26.922 1.00 0.00 C ATOM 13 O GLY X 2 33.134 -15.536 27.059 1.00 0.00 O ATOM 0 H GLY X 2 32.501 -17.364 29.513 1.00 0.00 H new ATOM 0 HA2 GLY X 2 34.325 -18.103 28.329 1.00 0.00 H new ATOM 0 HA3 GLY X 2 33.297 -18.648 27.018 1.00 0.00 H new ATOM 17 N PRO X 3 34.824 -16.614 26.107 1.00 0.00 N ATOM 18 CA PRO X 3 35.266 -15.464 25.276 1.00 0.00 C ATOM 19 C PRO X 3 34.433 -15.318 24.004 1.00 0.00 C ATOM 20 O PRO X 3 33.643 -16.196 23.663 1.00 0.00 O ATOM 21 CB PRO X 3 36.722 -15.793 24.955 1.00 0.00 C ATOM 22 CG PRO X 3 36.813 -17.286 24.991 1.00 0.00 C ATOM 23 CD PRO X 3 35.671 -17.791 25.879 1.00 0.00 C ATOM 0 HA PRO X 3 35.148 -14.511 25.792 1.00 0.00 H new ATOM 0 HB2 PRO X 3 37.005 -15.406 23.976 1.00 0.00 H new ATOM 0 HB3 PRO X 3 37.396 -15.341 25.683 1.00 0.00 H new ATOM 0 HG2 PRO X 3 36.730 -17.700 23.986 1.00 0.00 H new ATOM 0 HG3 PRO X 3 37.777 -17.603 25.388 1.00 0.00 H new ATOM 0 HD2 PRO X 3 35.114 -18.590 25.390 1.00 0.00 H new ATOM 0 HD3 PRO X 3 36.049 -18.194 26.818 1.00 0.00 H new ATOM 31 N GLU X 4 34.621 -14.207 23.307 1.00 0.00 N ATOM 32 CA GLU X 4 33.892 -13.952 22.075 1.00 0.00 C ATOM 33 C GLU X 4 34.546 -12.819 21.288 1.00 0.00 C ATOM 34 O GLU X 4 35.008 -11.833 21.860 1.00 0.00 O ATOM 35 CB GLU X 4 32.443 -13.582 22.396 1.00 0.00 C ATOM 36 CG GLU X 4 32.412 -12.266 23.176 1.00 0.00 C ATOM 37 CD GLU X 4 30.977 -11.924 23.563 1.00 0.00 C ATOM 38 OE1 GLU X 4 30.090 -12.682 23.204 1.00 0.00 O ATOM 39 OE2 GLU X 4 30.785 -10.911 24.217 1.00 0.00 O ATOM 0 H GLU X 4 35.272 -13.469 23.574 1.00 0.00 H new ATOM 0 HA GLU X 4 33.912 -14.857 21.469 1.00 0.00 H new ATOM 0 HB2 GLU X 4 31.869 -13.484 21.475 1.00 0.00 H new ATOM 0 HB3 GLU X 4 31.975 -14.374 22.980 1.00 0.00 H new ATOM 0 HG2 GLU X 4 33.029 -12.349 24.071 1.00 0.00 H new ATOM 0 HG3 GLU X 4 32.835 -11.465 22.570 1.00 0.00 H new ATOM 46 N THR X 5 34.576 -12.967 19.972 1.00 0.00 N ATOM 47 CA THR X 5 35.172 -11.952 19.108 1.00 0.00 C ATOM 48 C THR X 5 34.219 -11.579 17.976 1.00 0.00 C ATOM 49 O THR X 5 33.297 -12.328 17.654 1.00 0.00 O ATOM 50 CB THR X 5 36.485 -12.472 18.514 1.00 0.00 C ATOM 51 OG1 THR X 5 36.217 -13.602 17.694 1.00 0.00 O ATOM 52 CG2 THR X 5 37.433 -12.873 19.645 1.00 0.00 C ATOM 0 H THR X 5 34.197 -13.775 19.478 1.00 0.00 H new ATOM 0 HA THR X 5 35.369 -11.066 19.711 1.00 0.00 H new ATOM 0 HB THR X 5 36.949 -11.689 17.914 1.00 0.00 H new ATOM 0 HG1 THR X 5 37.056 -13.935 17.312 1.00 0.00 H new ATOM 0 HG21 THR X 5 38.367 -13.243 19.223 1.00 0.00 H new ATOM 0 HG22 THR X 5 37.637 -12.006 20.273 1.00 0.00 H new ATOM 0 HG23 THR X 5 36.971 -13.656 20.246 1.00 0.00 H new ATOM 60 N LEU X 6 34.452 -10.418 17.369 1.00 0.00 N ATOM 61 CA LEU X 6 33.609 -9.961 16.268 1.00 0.00 C ATOM 62 C LEU X 6 34.389 -9.982 14.959 1.00 0.00 C ATOM 63 O LEU X 6 35.472 -9.404 14.860 1.00 0.00 O ATOM 64 CB LEU X 6 33.116 -8.541 16.549 1.00 0.00 C ATOM 65 CG LEU X 6 32.329 -8.522 17.861 1.00 0.00 C ATOM 66 CD1 LEU X 6 31.939 -7.080 18.201 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.061 -9.367 17.710 1.00 0.00 C ATOM 0 H LEU X 6 35.210 -9.782 17.618 1.00 0.00 H new ATOM 0 HA LEU X 6 32.754 -10.632 16.180 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.962 -7.857 16.611 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.486 -8.195 15.730 1.00 0.00 H new ATOM 0 HG LEU X 6 32.947 -8.932 18.660 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.378 -7.065 19.136 1.00 0.00 H new ATOM 0 HD12 LEU X 6 32.839 -6.475 18.309 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.321 -6.672 17.401 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.501 -9.353 18.645 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.443 -8.957 16.911 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.335 -10.394 17.466 1.00 0.00 H new ATOM 79 N CYS X 7 33.831 -10.652 13.955 1.00 0.00 N ATOM 80 CA CYS X 7 34.484 -10.743 12.654 1.00 0.00 C ATOM 81 C CYS X 7 33.497 -11.206 11.589 1.00 0.00 C ATOM 82 O CYS X 7 32.685 -12.099 11.828 1.00 0.00 O ATOM 83 CB CYS X 7 35.657 -11.721 12.725 1.00 0.00 C ATOM 84 SG CYS X 7 36.570 -11.686 11.164 1.00 0.00 S ATOM 0 H CYS X 7 32.935 -11.136 14.016 1.00 0.00 H new ATOM 0 HA CYS X 7 34.853 -9.753 12.385 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.317 -11.454 13.550 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.292 -12.729 12.922 1.00 0.00 H new ATOM 89 N GLY X 8 33.574 -10.597 10.410 1.00 0.00 N ATOM 90 CA GLY X 8 32.681 -10.963 9.316 1.00 0.00 C ATOM 91 C GLY X 8 31.433 -10.090 9.311 1.00 0.00 C ATOM 92 O GLY X 8 31.488 -8.905 9.638 1.00 0.00 O ATOM 0 H GLY X 8 34.238 -9.855 10.189 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.204 -10.860 8.365 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.395 -12.011 9.411 1.00 0.00 H new ATOM 96 N ALA X 9 30.306 -10.682 8.932 1.00 0.00 N ATOM 97 CA ALA X 9 29.047 -9.950 8.883 1.00 0.00 C ATOM 98 C ALA X 9 28.683 -9.418 10.266 1.00 0.00 C ATOM 99 O ALA X 9 28.170 -8.307 10.398 1.00 0.00 O ATOM 100 CB ALA X 9 27.930 -10.861 8.374 1.00 0.00 C ATOM 0 H ALA X 9 30.239 -11.662 8.656 1.00 0.00 H new ATOM 0 HA ALA X 9 29.165 -9.108 8.201 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.993 -10.305 8.341 1.00 0.00 H new ATOM 0 HB2 ALA X 9 28.177 -11.215 7.373 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.822 -11.714 9.044 1.00 0.00 H new ATOM 106 N GLU X 10 28.947 -10.221 11.293 1.00 0.00 N ATOM 107 CA GLU X 10 28.636 -9.822 12.659 1.00 0.00 C ATOM 108 C GLU X 10 29.384 -8.544 13.021 1.00 0.00 C ATOM 109 O GLU X 10 28.817 -7.632 13.626 1.00 0.00 O ATOM 110 CB GLU X 10 29.024 -10.941 13.629 1.00 0.00 C ATOM 111 CG GLU X 10 28.707 -10.509 15.061 1.00 0.00 C ATOM 112 CD GLU X 10 27.212 -10.260 15.214 1.00 0.00 C ATOM 113 OE1 GLU X 10 26.459 -10.775 14.404 1.00 0.00 O ATOM 114 OE2 GLU X 10 26.841 -9.555 16.138 1.00 0.00 O ATOM 0 H GLU X 10 29.372 -11.144 11.205 1.00 0.00 H new ATOM 0 HA GLU X 10 27.565 -9.636 12.734 1.00 0.00 H new ATOM 0 HB2 GLU X 10 28.480 -11.853 13.384 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.086 -11.168 13.533 1.00 0.00 H new ATOM 0 HG2 GLU X 10 29.029 -11.280 15.761 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.261 -9.603 15.307 1.00 0.00 H new ATOM 121 N LEU X 11 30.654 -8.477 12.642 1.00 0.00 N ATOM 122 CA LEU X 11 31.460 -7.300 12.926 1.00 0.00 C ATOM 123 C LEU X 11 30.884 -6.072 12.226 1.00 0.00 C ATOM 124 O LEU X 11 30.797 -4.992 12.814 1.00 0.00 O ATOM 125 CB LEU X 11 32.903 -7.527 12.462 1.00 0.00 C ATOM 126 CG LEU X 11 33.729 -6.262 12.702 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.732 -5.924 14.193 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.164 -6.495 12.231 1.00 0.00 C ATOM 0 H LEU X 11 31.144 -9.218 12.141 1.00 0.00 H new ATOM 0 HA LEU X 11 31.449 -7.128 14.002 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.341 -8.366 13.002 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.918 -7.787 11.404 1.00 0.00 H new ATOM 0 HG LEU X 11 33.291 -5.434 12.145 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.321 -5.022 14.361 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.709 -5.757 14.530 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.168 -6.752 14.753 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.754 -5.594 12.401 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.600 -7.325 12.788 1.00 0.00 H new ATOM 0 HD23 LEU X 11 35.164 -6.733 11.167 1.00 0.00 H new ATOM 140 N VAL X 12 30.495 -6.246 10.970 1.00 0.00 N ATOM 141 CA VAL X 12 29.929 -5.148 10.198 1.00 0.00 C ATOM 142 C VAL X 12 28.658 -4.621 10.859 1.00 0.00 C ATOM 143 O VAL X 12 28.454 -3.409 10.969 1.00 0.00 O ATOM 144 CB VAL X 12 29.612 -5.618 8.778 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.679 -4.608 8.100 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.917 -5.706 7.974 1.00 0.00 C ATOM 0 H VAL X 12 30.560 -7.131 10.467 1.00 0.00 H new ATOM 0 HA VAL X 12 30.662 -4.342 10.159 1.00 0.00 H new ATOM 0 HB VAL X 12 29.130 -6.595 8.818 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.453 -4.944 7.088 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.754 -4.528 8.670 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.166 -3.634 8.059 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.698 -6.041 6.960 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.389 -4.724 7.938 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.592 -6.416 8.452 1.00 0.00 H new ATOM 156 N ASP X 13 27.806 -5.539 11.298 1.00 0.00 N ATOM 157 CA ASP X 13 26.558 -5.162 11.946 1.00 0.00 C ATOM 158 C ASP X 13 26.838 -4.332 13.195 1.00 0.00 C ATOM 159 O ASP X 13 26.140 -3.356 13.471 1.00 0.00 O ATOM 160 CB ASP X 13 25.768 -6.414 12.330 1.00 0.00 C ATOM 161 CG ASP X 13 24.437 -6.017 12.959 1.00 0.00 C ATOM 162 OD1 ASP X 13 23.634 -5.412 12.268 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.239 -6.327 14.122 1.00 0.00 O ATOM 0 H ASP X 13 27.956 -6.545 11.217 1.00 0.00 H new ATOM 0 HA ASP X 13 25.972 -4.565 11.247 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.594 -7.029 11.447 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.345 -7.018 13.030 1.00 0.00 H new ATOM 168 N ALA X 14 27.858 -4.729 13.949 1.00 0.00 N ATOM 169 CA ALA X 14 28.213 -4.014 15.168 1.00 0.00 C ATOM 170 C ALA X 14 28.567 -2.565 14.857 1.00 0.00 C ATOM 171 O ALA X 14 28.184 -1.653 15.590 1.00 0.00 O ATOM 172 CB ALA X 14 29.407 -4.694 15.842 1.00 0.00 C ATOM 0 H ALA X 14 28.448 -5.534 13.740 1.00 0.00 H new ATOM 0 HA ALA X 14 27.354 -4.032 15.839 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.667 -4.154 16.753 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.147 -5.723 16.092 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.259 -4.690 15.162 1.00 0.00 H new ATOM 178 N LEU X 15 29.296 -2.358 13.762 1.00 0.00 N ATOM 179 CA LEU X 15 29.689 -1.009 13.369 1.00 0.00 C ATOM 180 C LEU X 15 28.461 -0.148 13.097 1.00 0.00 C ATOM 181 O LEU X 15 28.394 1.000 13.537 1.00 0.00 O ATOM 182 CB LEU X 15 30.557 -1.070 12.110 1.00 0.00 C ATOM 183 CG LEU X 15 31.935 -1.631 12.462 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.697 -1.966 11.176 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.723 -0.580 13.254 1.00 0.00 C ATOM 0 H LEU X 15 29.622 -3.097 13.139 1.00 0.00 H new ATOM 0 HA LEU X 15 30.256 -0.563 14.186 1.00 0.00 H new ATOM 0 HB2 LEU X 15 30.080 -1.697 11.357 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.658 -0.075 11.678 1.00 0.00 H new ATOM 0 HG LEU X 15 31.816 -2.534 13.061 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.679 -2.366 11.429 1.00 0.00 H new ATOM 0 HD12 LEU X 15 32.139 -2.708 10.605 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.816 -1.063 10.578 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.706 -0.977 13.507 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.839 0.320 12.649 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.184 -0.335 14.169 1.00 0.00 H new ATOM 197 N GLN X 16 27.491 -0.708 12.384 1.00 0.00 N ATOM 198 CA GLN X 16 26.267 0.019 12.074 1.00 0.00 C ATOM 199 C GLN X 16 25.499 0.338 13.350 1.00 0.00 C ATOM 200 O GLN X 16 24.981 1.441 13.516 1.00 0.00 O ATOM 201 CB GLN X 16 25.390 -0.813 11.140 1.00 0.00 C ATOM 202 CG GLN X 16 24.152 -0.006 10.751 1.00 0.00 C ATOM 203 CD GLN X 16 23.263 -0.829 9.826 1.00 0.00 C ATOM 204 OE1 GLN X 16 22.893 -1.955 10.159 1.00 0.00 O ATOM 205 NE2 GLN X 16 22.889 -0.330 8.679 1.00 0.00 N ATOM 0 H GLN X 16 27.528 -1.657 12.012 1.00 0.00 H new ATOM 0 HA GLN X 16 26.534 0.954 11.582 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.951 -1.091 10.248 1.00 0.00 H new ATOM 0 HB3 GLN X 16 25.094 -1.740 11.631 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.597 0.278 11.645 1.00 0.00 H new ATOM 0 HG3 GLN X 16 24.451 0.918 10.255 1.00 0.00 H new ATOM 0 HE21 GLN X 16 23.196 0.603 8.404 1.00 0.00 H new ATOM 0 HE22 GLN X 16 22.290 -0.873 8.058 1.00 0.00 H new ATOM 214 N PHE X 17 25.438 -0.632 14.259 1.00 0.00 N ATOM 215 CA PHE X 17 24.742 -0.435 15.525 1.00 0.00 C ATOM 216 C PHE X 17 25.376 0.699 16.324 1.00 0.00 C ATOM 217 O PHE X 17 24.686 1.601 16.798 1.00 0.00 O ATOM 218 CB PHE X 17 24.792 -1.725 16.349 1.00 0.00 C ATOM 219 CG PHE X 17 24.342 -1.442 17.763 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.982 -1.472 18.092 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.298 -1.141 18.746 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.573 -1.202 19.405 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.887 -0.871 20.057 1.00 0.00 C ATOM 224 CZ PHE X 17 23.526 -0.904 20.387 1.00 0.00 C ATOM 0 H PHE X 17 25.858 -1.554 14.143 1.00 0.00 H new ATOM 0 HA PHE X 17 23.706 -0.173 15.308 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.151 -2.482 15.897 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.805 -2.127 16.353 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.248 -1.703 17.334 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.347 -1.118 18.492 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.524 -1.224 19.659 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.620 -0.637 20.815 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.211 -0.699 21.400 1.00 0.00 H new ATOM 234 N VAL X 18 26.695 0.638 16.478 1.00 0.00 N ATOM 235 CA VAL X 18 27.417 1.656 17.231 1.00 0.00 C ATOM 236 C VAL X 18 27.292 3.013 16.553 1.00 0.00 C ATOM 237 O VAL X 18 27.107 4.036 17.213 1.00 0.00 O ATOM 238 CB VAL X 18 28.893 1.274 17.351 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.665 2.426 17.993 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.028 0.023 18.219 1.00 0.00 C ATOM 0 H VAL X 18 27.283 -0.102 16.093 1.00 0.00 H new ATOM 0 HA VAL X 18 26.980 1.720 18.227 1.00 0.00 H new ATOM 0 HB VAL X 18 29.298 1.072 16.359 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.717 2.155 18.079 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.569 3.318 17.374 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.260 2.628 18.985 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.080 -0.249 18.304 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.623 0.223 19.211 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.477 -0.799 17.761 1.00 0.00 H new ATOM 250 N CYS X 19 27.393 3.016 15.227 1.00 0.00 N ATOM 251 CA CYS X 19 27.291 4.253 14.467 1.00 0.00 C ATOM 252 C CYS X 19 25.831 4.579 14.160 1.00 0.00 C ATOM 253 O CYS X 19 25.540 5.533 13.438 1.00 0.00 O ATOM 254 CB CYS X 19 28.070 4.126 13.161 1.00 0.00 C ATOM 255 SG CYS X 19 29.812 3.795 13.529 1.00 0.00 S ATOM 0 H CYS X 19 27.544 2.181 14.662 1.00 0.00 H new ATOM 0 HA CYS X 19 27.712 5.060 15.067 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.656 3.321 12.555 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.978 5.043 12.579 1.00 0.00 H new ATOM 260 N GLY X 20 24.914 3.789 14.718 1.00 0.00 N ATOM 261 CA GLY X 20 23.495 4.015 14.505 1.00 0.00 C ATOM 262 C GLY X 20 23.178 4.199 13.030 1.00 0.00 C ATOM 263 O GLY X 20 23.597 3.401 12.189 1.00 0.00 O ATOM 0 H GLY X 20 25.132 2.993 15.317 1.00 0.00 H new ATOM 0 HA2 GLY X 20 22.928 3.171 14.898 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.178 4.898 15.060 1.00 0.00 H new ATOM 267 N ASP X 21 22.447 5.264 12.717 1.00 0.00 N ATOM 268 CA ASP X 21 22.093 5.554 11.335 1.00 0.00 C ATOM 269 C ASP X 21 23.113 6.497 10.694 1.00 0.00 C ATOM 270 O ASP X 21 23.025 6.799 9.502 1.00 0.00 O ATOM 271 CB ASP X 21 20.703 6.193 11.284 1.00 0.00 C ATOM 272 CG ASP X 21 20.704 7.512 12.055 1.00 0.00 C ATOM 273 OD1 ASP X 21 21.733 7.848 12.618 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.674 8.166 12.070 1.00 0.00 O ATOM 0 H ASP X 21 22.091 5.935 13.397 1.00 0.00 H new ATOM 0 HA ASP X 21 22.091 4.617 10.777 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.412 6.368 10.248 1.00 0.00 H new ATOM 0 HB3 ASP X 21 19.966 5.513 11.711 1.00 0.00 H new ATOM 279 N ARG X 22 24.080 6.955 11.487 1.00 0.00 N ATOM 280 CA ARG X 22 25.104 7.855 10.983 1.00 0.00 C ATOM 281 C ARG X 22 25.972 7.150 9.950 1.00 0.00 C ATOM 282 O ARG X 22 26.364 7.743 8.944 1.00 0.00 O ATOM 283 CB ARG X 22 25.976 8.350 12.138 1.00 0.00 C ATOM 284 CG ARG X 22 25.147 9.256 13.050 1.00 0.00 C ATOM 285 CD ARG X 22 25.963 9.614 14.287 1.00 0.00 C ATOM 286 NE ARG X 22 26.188 8.434 15.113 1.00 0.00 N ATOM 287 CZ ARG X 22 26.951 8.489 16.203 1.00 0.00 C ATOM 288 NH1 ARG X 22 27.519 9.614 16.557 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.132 7.416 16.923 1.00 0.00 N ATOM 0 H ARG X 22 24.172 6.717 12.475 1.00 0.00 H new ATOM 0 HA ARG X 22 24.615 8.706 10.508 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.364 7.503 12.704 1.00 0.00 H new ATOM 0 HB3 ARG X 22 26.837 8.895 11.750 1.00 0.00 H new ATOM 0 HG2 ARG X 22 24.859 10.162 12.516 1.00 0.00 H new ATOM 0 HG3 ARG X 22 24.226 8.752 13.342 1.00 0.00 H new ATOM 0 HD2 ARG X 22 26.919 10.042 13.987 1.00 0.00 H new ATOM 0 HD3 ARG X 22 25.441 10.376 14.866 1.00 0.00 H new ATOM 0 HE ARG X 22 25.753 7.550 14.851 1.00 0.00 H new ATOM 0 HH11 ARG X 22 27.378 10.455 15.997 1.00 0.00 H new ATOM 0 HH12 ARG X 22 28.102 9.650 17.393 1.00 0.00 H new ATOM 0 HH21 ARG X 22 26.690 6.538 16.650 1.00 0.00 H new ATOM 0 HH22 ARG X 22 27.716 7.455 17.758 1.00 0.00 H new ATOM 303 N GLY X 23 26.279 5.883 10.213 1.00 0.00 N ATOM 304 CA GLY X 23 27.114 5.107 9.299 1.00 0.00 C ATOM 305 C GLY X 23 28.586 5.190 9.699 1.00 0.00 C ATOM 306 O GLY X 23 28.936 5.820 10.693 1.00 0.00 O ATOM 0 H GLY X 23 25.967 5.376 11.041 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.791 4.066 9.301 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.988 5.478 8.282 1.00 0.00 H new ATOM 310 N PHE X 24 29.439 4.539 8.923 1.00 0.00 N ATOM 311 CA PHE X 24 30.872 4.530 9.205 1.00 0.00 C ATOM 312 C PHE X 24 31.679 4.460 7.919 1.00 0.00 C ATOM 313 O PHE X 24 31.138 4.192 6.847 1.00 0.00 O ATOM 314 CB PHE X 24 31.214 3.337 10.101 1.00 0.00 C ATOM 315 CG PHE X 24 30.655 2.075 9.491 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.429 1.319 8.606 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.356 1.664 9.815 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.902 0.153 8.042 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.830 0.497 9.252 1.00 0.00 C ATOM 320 CZ PHE X 24 29.605 -0.259 8.366 1.00 0.00 C ATOM 0 H PHE X 24 29.168 4.010 8.094 1.00 0.00 H new ATOM 0 HA PHE X 24 31.128 5.457 9.718 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.295 3.251 10.214 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.800 3.486 11.098 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.432 1.635 8.358 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.760 2.249 10.500 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.497 -0.430 7.355 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.828 0.180 9.501 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.202 -1.162 7.932 1.00 0.00 H new ATOM 330 N TYR X 25 32.979 4.722 8.030 1.00 0.00 N ATOM 331 CA TYR X 25 33.849 4.701 6.862 1.00 0.00 C ATOM 332 C TYR X 25 35.104 3.882 7.142 1.00 0.00 C ATOM 333 O TYR X 25 35.397 3.550 8.290 1.00 0.00 O ATOM 334 CB TYR X 25 34.253 6.132 6.481 1.00 0.00 C ATOM 335 CG TYR X 25 35.106 6.725 7.579 1.00 0.00 C ATOM 336 CD1 TYR X 25 36.491 6.539 7.566 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.508 7.459 8.608 1.00 0.00 C ATOM 338 CE1 TYR X 25 37.283 7.085 8.578 1.00 0.00 C ATOM 339 CE2 TYR X 25 35.300 8.010 9.626 1.00 0.00 C ATOM 340 CZ TYR X 25 36.687 7.822 9.611 1.00 0.00 C ATOM 341 OH TYR X 25 37.467 8.363 10.613 1.00 0.00 O ATOM 0 H TYR X 25 33.447 4.949 8.907 1.00 0.00 H new ATOM 0 HA TYR X 25 33.302 4.243 6.038 1.00 0.00 H new ATOM 0 HB2 TYR X 25 34.804 6.127 5.540 1.00 0.00 H new ATOM 0 HB3 TYR X 25 33.364 6.743 6.327 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.950 5.971 6.770 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.437 7.601 8.619 1.00 0.00 H new ATOM 0 HE1 TYR X 25 38.353 6.940 8.565 1.00 0.00 H new ATOM 0 HE2 TYR X 25 34.840 8.579 10.421 1.00 0.00 H new ATOM 0 HH TYR X 25 36.896 8.844 11.248 1.00 0.00 H new ATOM 351 N PHE X 26 35.845 3.565 6.087 1.00 0.00 N ATOM 352 CA PHE X 26 37.074 2.792 6.233 1.00 0.00 C ATOM 353 C PHE X 26 38.291 3.641 5.872 1.00 0.00 C ATOM 354 O PHE X 26 39.420 3.294 6.216 1.00 0.00 O ATOM 355 CB PHE X 26 37.024 1.563 5.324 1.00 0.00 C ATOM 356 CG PHE X 26 35.873 0.677 5.736 1.00 0.00 C ATOM 357 CD1 PHE X 26 34.618 0.834 5.136 1.00 0.00 C ATOM 358 CD2 PHE X 26 36.061 -0.300 6.719 1.00 0.00 C ATOM 359 CE1 PHE X 26 33.552 0.013 5.519 1.00 0.00 C ATOM 360 CE2 PHE X 26 34.995 -1.122 7.103 1.00 0.00 C ATOM 361 CZ PHE X 26 33.741 -0.965 6.504 1.00 0.00 C ATOM 0 H PHE X 26 35.619 3.828 5.128 1.00 0.00 H new ATOM 0 HA PHE X 26 37.161 2.477 7.273 1.00 0.00 H new ATOM 0 HB2 PHE X 26 36.906 1.871 4.285 1.00 0.00 H new ATOM 0 HB3 PHE X 26 37.962 1.012 5.388 1.00 0.00 H new ATOM 0 HD1 PHE X 26 34.473 1.589 4.377 1.00 0.00 H new ATOM 0 HD2 PHE X 26 37.029 -0.420 7.182 1.00 0.00 H new ATOM 0 HE1 PHE X 26 32.584 0.133 5.056 1.00 0.00 H new ATOM 0 HE2 PHE X 26 35.141 -1.877 7.861 1.00 0.00 H new ATOM 0 HZ PHE X 26 32.918 -1.598 6.801 1.00 0.00 H new ATOM 371 N ASN X 27 38.055 4.751 5.176 1.00 0.00 N ATOM 372 CA ASN X 27 39.141 5.636 4.776 1.00 0.00 C ATOM 373 C ASN X 27 39.169 6.880 5.655 1.00 0.00 C ATOM 374 O ASN X 27 38.230 7.676 5.656 1.00 0.00 O ATOM 375 CB ASN X 27 38.961 6.044 3.313 1.00 0.00 C ATOM 376 CG ASN X 27 39.209 4.846 2.403 1.00 0.00 C ATOM 377 OD1 ASN X 27 39.910 3.909 2.785 1.00 0.00 O ATOM 378 ND2 ASN X 27 38.666 4.816 1.217 1.00 0.00 N ATOM 0 H ASN X 27 37.128 5.056 4.880 1.00 0.00 H new ATOM 0 HA ASN X 27 40.085 5.104 4.893 1.00 0.00 H new ATOM 0 HB2 ASN X 27 37.953 6.428 3.155 1.00 0.00 H new ATOM 0 HB3 ASN X 27 39.652 6.849 3.064 1.00 0.00 H new ATOM 0 HD21 ASN X 27 38.822 4.015 0.605 1.00 0.00 H new ATOM 0 HD22 ASN X 27 38.085 5.593 0.902 1.00 0.00 H new ATOM 385 N LYS X 28 40.257 7.043 6.400 1.00 0.00 N ATOM 386 CA LYS X 28 40.402 8.189 7.279 1.00 0.00 C ATOM 387 C LYS X 28 40.732 9.450 6.479 1.00 0.00 C ATOM 388 O LYS X 28 41.229 9.367 5.355 1.00 0.00 O ATOM 389 CB LYS X 28 41.505 7.933 8.308 1.00 0.00 C ATOM 390 CG LYS X 28 41.056 6.835 9.271 1.00 0.00 C ATOM 391 CD LYS X 28 42.172 6.553 10.277 1.00 0.00 C ATOM 392 CE LYS X 28 41.722 5.459 11.246 1.00 0.00 C ATOM 393 NZ LYS X 28 42.817 5.170 12.215 1.00 0.00 N ATOM 0 H LYS X 28 41.046 6.397 6.410 1.00 0.00 H new ATOM 0 HA LYS X 28 39.454 8.339 7.796 1.00 0.00 H new ATOM 0 HB2 LYS X 28 42.425 7.637 7.805 1.00 0.00 H new ATOM 0 HB3 LYS X 28 41.723 8.848 8.859 1.00 0.00 H new ATOM 0 HG2 LYS X 28 40.150 7.142 9.793 1.00 0.00 H new ATOM 0 HG3 LYS X 28 40.813 5.928 8.718 1.00 0.00 H new ATOM 0 HD2 LYS X 28 43.076 6.241 9.755 1.00 0.00 H new ATOM 0 HD3 LYS X 28 42.418 7.461 10.827 1.00 0.00 H new ATOM 0 HE2 LYS X 28 40.826 5.777 11.779 1.00 0.00 H new ATOM 0 HE3 LYS X 28 41.462 4.555 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 42.510 4.426 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 43.661 4.849 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 43.045 6.033 12.749 1.00 0.00 H new ATOM 407 N PRO X 29 40.479 10.604 7.040 1.00 0.00 N ATOM 408 CA PRO X 29 40.763 11.908 6.371 1.00 0.00 C ATOM 409 C PRO X 29 42.212 11.999 5.892 1.00 0.00 C ATOM 410 O PRO X 29 42.491 12.564 4.835 1.00 0.00 O ATOM 411 CB PRO X 29 40.495 12.941 7.470 1.00 0.00 C ATOM 412 CG PRO X 29 39.545 12.277 8.406 1.00 0.00 C ATOM 413 CD PRO X 29 39.885 10.795 8.375 1.00 0.00 C ATOM 0 HA PRO X 29 40.153 12.054 5.479 1.00 0.00 H new ATOM 0 HB2 PRO X 29 41.417 13.223 7.979 1.00 0.00 H new ATOM 0 HB3 PRO X 29 40.067 13.854 7.056 1.00 0.00 H new ATOM 0 HG2 PRO X 29 39.647 12.679 9.414 1.00 0.00 H new ATOM 0 HG3 PRO X 29 38.513 12.446 8.098 1.00 0.00 H new ATOM 0 HD2 PRO X 29 40.584 10.527 9.167 1.00 0.00 H new ATOM 0 HD3 PRO X 29 38.997 10.177 8.511 1.00 0.00 H new ATOM 421 N THR X 30 43.129 11.432 6.673 1.00 0.00 N ATOM 422 CA THR X 30 44.541 11.452 6.311 1.00 0.00 C ATOM 423 C THR X 30 45.240 10.195 6.823 1.00 0.00 C ATOM 424 O THR X 30 44.919 9.688 7.899 1.00 0.00 O ATOM 425 CB THR X 30 45.213 12.693 6.904 1.00 0.00 C ATOM 426 OG1 THR X 30 46.559 12.765 6.450 1.00 0.00 O ATOM 427 CG2 THR X 30 45.192 12.610 8.431 1.00 0.00 C ATOM 0 H THR X 30 42.921 10.958 7.552 1.00 0.00 H new ATOM 0 HA THR X 30 44.621 11.482 5.224 1.00 0.00 H new ATOM 0 HB THR X 30 44.673 13.584 6.585 1.00 0.00 H new ATOM 0 HG1 THR X 30 46.990 13.560 6.828 1.00 0.00 H new ATOM 0 HG21 THR X 30 45.671 13.495 8.850 1.00 0.00 H new ATOM 0 HG22 THR X 30 44.160 12.557 8.778 1.00 0.00 H new ATOM 0 HG23 THR X 30 45.730 11.719 8.754 1.00 0.00 H new ATOM 435 N GLY X 31 46.197 9.700 6.047 1.00 0.00 N ATOM 436 CA GLY X 31 46.940 8.504 6.431 1.00 0.00 C ATOM 437 C GLY X 31 48.417 8.818 6.645 1.00 0.00 C ATOM 438 O GLY X 31 49.250 7.912 6.688 1.00 0.00 O ATOM 0 H GLY X 31 46.476 10.105 5.153 1.00 0.00 H new ATOM 0 HA2 GLY X 31 46.518 8.088 7.346 1.00 0.00 H new ATOM 0 HA3 GLY X 31 46.835 7.743 5.657 1.00 0.00 H new ATOM 442 N TYR X 32 48.739 10.105 6.768 1.00 0.00 N ATOM 443 CA TYR X 32 50.120 10.518 6.968 1.00 0.00 C ATOM 444 C TYR X 32 50.679 9.923 8.255 1.00 0.00 C ATOM 445 O TYR X 32 51.763 9.340 8.262 1.00 0.00 O ATOM 446 CB TYR X 32 50.200 12.044 7.028 1.00 0.00 C ATOM 447 CG TYR X 32 51.613 12.463 7.347 1.00 0.00 C ATOM 448 CD1 TYR X 32 52.597 12.428 6.350 1.00 0.00 C ATOM 449 CD2 TYR X 32 51.943 12.883 8.640 1.00 0.00 C ATOM 450 CE1 TYR X 32 53.908 12.815 6.648 1.00 0.00 C ATOM 451 CE2 TYR X 32 53.255 13.271 8.937 1.00 0.00 C ATOM 452 CZ TYR X 32 54.238 13.237 7.942 1.00 0.00 C ATOM 453 OH TYR X 32 55.531 13.619 8.236 1.00 0.00 O ATOM 0 H TYR X 32 48.066 10.871 6.733 1.00 0.00 H new ATOM 0 HA TYR X 32 50.715 10.155 6.130 1.00 0.00 H new ATOM 0 HB2 TYR X 32 49.889 12.473 6.075 1.00 0.00 H new ATOM 0 HB3 TYR X 32 49.517 12.425 7.787 1.00 0.00 H new ATOM 0 HD1 TYR X 32 52.343 12.102 5.352 1.00 0.00 H new ATOM 0 HD2 TYR X 32 51.185 12.908 9.409 1.00 0.00 H new ATOM 0 HE1 TYR X 32 54.666 12.788 5.879 1.00 0.00 H new ATOM 0 HE2 TYR X 32 53.508 13.597 9.935 1.00 0.00 H new ATOM 0 HH TYR X 32 55.588 13.884 9.178 1.00 0.00 H new ATOM 463 N GLY X 33 49.933 10.074 9.338 1.00 0.00 N ATOM 464 CA GLY X 33 50.361 9.545 10.629 1.00 0.00 C ATOM 465 C GLY X 33 51.722 10.110 11.022 1.00 0.00 C ATOM 466 O GLY X 33 51.938 11.321 10.985 1.00 0.00 O ATOM 0 H GLY X 33 49.034 10.555 9.352 1.00 0.00 H new ATOM 0 HA2 GLY X 33 49.624 9.796 11.392 1.00 0.00 H new ATOM 0 HA3 GLY X 33 50.414 8.457 10.582 1.00 0.00 H new ATOM 470 N SER X 34 52.640 9.223 11.390 1.00 0.00 N ATOM 471 CA SER X 34 53.982 9.642 11.778 1.00 0.00 C ATOM 472 C SER X 34 55.018 9.108 10.788 1.00 0.00 C ATOM 473 O SER X 34 56.208 9.060 11.094 1.00 0.00 O ATOM 474 CB SER X 34 54.304 9.129 13.182 1.00 0.00 C ATOM 475 OG SER X 34 54.244 7.709 13.188 1.00 0.00 O ATOM 0 H SER X 34 52.481 8.216 11.428 1.00 0.00 H new ATOM 0 HA SER X 34 54.018 10.731 11.773 1.00 0.00 H new ATOM 0 HB2 SER X 34 55.296 9.464 13.485 1.00 0.00 H new ATOM 0 HB3 SER X 34 53.595 9.538 13.902 1.00 0.00 H new ATOM 0 HG SER X 34 54.452 7.377 14.086 1.00 0.00 H new ATOM 481 N SER X 35 54.559 8.706 9.603 1.00 0.00 N ATOM 482 CA SER X 35 55.448 8.174 8.590 1.00 0.00 C ATOM 483 C SER X 35 54.868 8.407 7.199 1.00 0.00 C ATOM 484 O SER X 35 53.675 8.209 6.968 1.00 0.00 O ATOM 485 CB SER X 35 55.650 6.675 8.816 1.00 0.00 C ATOM 486 OG SER X 35 56.472 6.151 7.781 1.00 0.00 O ATOM 0 H SER X 35 53.577 8.742 9.328 1.00 0.00 H new ATOM 0 HA SER X 35 56.407 8.686 8.663 1.00 0.00 H new ATOM 0 HB2 SER X 35 56.113 6.501 9.787 1.00 0.00 H new ATOM 0 HB3 SER X 35 54.687 6.164 8.826 1.00 0.00 H new ATOM 0 HG SER X 35 56.605 5.191 7.924 1.00 0.00 H new ATOM 492 N SER X 36 55.721 8.821 6.280 1.00 0.00 N ATOM 493 CA SER X 36 55.295 9.073 4.906 1.00 0.00 C ATOM 494 C SER X 36 54.747 7.804 4.267 1.00 0.00 C ATOM 495 O SER X 36 53.728 7.831 3.578 1.00 0.00 O ATOM 496 CB SER X 36 56.466 9.605 4.075 1.00 0.00 C ATOM 497 OG SER X 36 56.026 9.845 2.744 1.00 0.00 O ATOM 0 H SER X 36 56.711 8.991 6.454 1.00 0.00 H new ATOM 0 HA SER X 36 54.503 9.822 4.930 1.00 0.00 H new ATOM 0 HB2 SER X 36 56.851 10.525 4.515 1.00 0.00 H new ATOM 0 HB3 SER X 36 57.284 8.885 4.076 1.00 0.00 H new ATOM 0 HG SER X 36 56.773 10.187 2.209 1.00 0.00 H new ATOM 503 N ARG X 37 55.431 6.701 4.503 1.00 0.00 N ATOM 504 CA ARG X 37 55.010 5.415 3.949 1.00 0.00 C ATOM 505 C ARG X 37 53.653 5.007 4.514 1.00 0.00 C ATOM 506 O ARG X 37 53.432 5.068 5.723 1.00 0.00 O ATOM 507 CB ARG X 37 56.045 4.334 4.274 1.00 0.00 C ATOM 508 CG ARG X 37 55.625 3.014 3.624 1.00 0.00 C ATOM 509 CD ARG X 37 56.736 1.985 3.803 1.00 0.00 C ATOM 510 NE ARG X 37 57.924 2.384 3.059 1.00 0.00 N ATOM 511 CZ ARG X 37 59.060 1.697 3.150 1.00 0.00 C ATOM 512 NH1 ARG X 37 59.133 0.638 3.918 1.00 0.00 N ATOM 513 NH2 ARG X 37 60.108 2.079 2.472 1.00 0.00 N ATOM 0 H ARG X 37 56.277 6.662 5.071 1.00 0.00 H new ATOM 0 HA ARG X 37 54.927 5.521 2.867 1.00 0.00 H new ATOM 0 HB2 ARG X 37 57.027 4.635 3.910 1.00 0.00 H new ATOM 0 HB3 ARG X 37 56.130 4.209 5.354 1.00 0.00 H new ATOM 0 HG2 ARG X 37 54.702 2.651 4.076 1.00 0.00 H new ATOM 0 HG3 ARG X 37 55.423 3.166 2.564 1.00 0.00 H new ATOM 0 HD2 ARG X 37 56.979 1.883 4.861 1.00 0.00 H new ATOM 0 HD3 ARG X 37 56.395 1.009 3.459 1.00 0.00 H new ATOM 0 HE ARG X 37 57.884 3.206 2.457 1.00 0.00 H new ATOM 0 HH11 ARG X 37 58.317 0.336 4.450 1.00 0.00 H new ATOM 0 HH12 ARG X 37 60.006 0.115 3.984 1.00 0.00 H new ATOM 0 HH21 ARG X 37 60.056 2.903 1.873 1.00 0.00 H new ATOM 0 HH22 ARG X 37 60.979 1.553 2.541 1.00 0.00 H new ATOM 527 N ARG X 38 52.749 4.594 3.631 1.00 0.00 N ATOM 528 CA ARG X 38 51.415 4.185 4.057 1.00 0.00 C ATOM 529 C ARG X 38 51.161 2.727 3.688 1.00 0.00 C ATOM 530 O ARG X 38 51.499 2.285 2.590 1.00 0.00 O ATOM 531 CB ARG X 38 50.361 5.072 3.389 1.00 0.00 C ATOM 532 CG ARG X 38 50.494 6.504 3.908 1.00 0.00 C ATOM 533 CD ARG X 38 49.478 7.401 3.200 1.00 0.00 C ATOM 534 NE ARG X 38 49.588 8.769 3.693 1.00 0.00 N ATOM 535 CZ ARG X 38 50.547 9.586 3.261 1.00 0.00 C ATOM 536 NH1 ARG X 38 51.424 9.172 2.380 1.00 0.00 N ATOM 537 NH2 ARG X 38 50.619 10.806 3.722 1.00 0.00 N ATOM 0 H ARG X 38 52.913 4.534 2.626 1.00 0.00 H new ATOM 0 HA ARG X 38 51.349 4.292 5.140 1.00 0.00 H new ATOM 0 HB2 ARG X 38 50.488 5.053 2.307 1.00 0.00 H new ATOM 0 HB3 ARG X 38 49.362 4.689 3.599 1.00 0.00 H new ATOM 0 HG2 ARG X 38 50.328 6.528 4.985 1.00 0.00 H new ATOM 0 HG3 ARG X 38 51.505 6.873 3.733 1.00 0.00 H new ATOM 0 HD2 ARG X 38 49.650 7.379 2.124 1.00 0.00 H new ATOM 0 HD3 ARG X 38 48.469 7.025 3.370 1.00 0.00 H new ATOM 0 HE ARG X 38 48.917 9.107 4.383 1.00 0.00 H new ATOM 0 HH11 ARG X 38 51.375 8.219 2.021 1.00 0.00 H new ATOM 0 HH12 ARG X 38 52.156 9.803 2.053 1.00 0.00 H new ATOM 0 HH21 ARG X 38 49.942 11.131 4.412 1.00 0.00 H new ATOM 0 HH22 ARG X 38 51.353 11.433 3.392 1.00 0.00 H new ATOM 551 N ALA X 39 50.562 1.984 4.613 1.00 0.00 N ATOM 552 CA ALA X 39 50.265 0.576 4.376 1.00 0.00 C ATOM 553 C ALA X 39 48.824 0.259 4.765 1.00 0.00 C ATOM 554 O ALA X 39 48.577 -0.437 5.749 1.00 0.00 O ATOM 555 CB ALA X 39 51.222 -0.300 5.186 1.00 0.00 C ATOM 0 H ALA X 39 50.274 2.331 5.528 1.00 0.00 H new ATOM 0 HA ALA X 39 50.394 0.369 3.314 1.00 0.00 H new ATOM 0 HB1 ALA X 39 50.995 -1.351 5.005 1.00 0.00 H new ATOM 0 HB2 ALA X 39 52.249 -0.093 4.884 1.00 0.00 H new ATOM 0 HB3 ALA X 39 51.105 -0.081 6.247 1.00 0.00 H new ATOM 561 N PRO X 40 47.881 0.756 4.011 1.00 0.00 N ATOM 562 CA PRO X 40 46.433 0.527 4.274 1.00 0.00 C ATOM 563 C PRO X 40 45.976 -0.854 3.806 1.00 0.00 C ATOM 564 O PRO X 40 45.082 -0.977 2.969 1.00 0.00 O ATOM 565 CB PRO X 40 45.746 1.636 3.475 1.00 0.00 C ATOM 566 CG PRO X 40 46.683 1.963 2.358 1.00 0.00 C ATOM 567 CD PRO X 40 48.097 1.593 2.823 1.00 0.00 C ATOM 0 HA PRO X 40 46.196 0.554 5.338 1.00 0.00 H new ATOM 0 HB2 PRO X 40 44.781 1.304 3.093 1.00 0.00 H new ATOM 0 HB3 PRO X 40 45.558 2.510 4.098 1.00 0.00 H new ATOM 0 HG2 PRO X 40 46.417 1.408 1.459 1.00 0.00 H new ATOM 0 HG3 PRO X 40 46.626 3.022 2.107 1.00 0.00 H new ATOM 0 HD2 PRO X 40 48.641 1.052 2.049 1.00 0.00 H new ATOM 0 HD3 PRO X 40 48.682 2.481 3.063 1.00 0.00 H new ATOM 575 N GLN X 41 46.594 -1.891 4.356 1.00 0.00 N ATOM 576 CA GLN X 41 46.242 -3.259 3.995 1.00 0.00 C ATOM 577 C GLN X 41 45.619 -3.988 5.183 1.00 0.00 C ATOM 578 O GLN X 41 45.548 -5.216 5.199 1.00 0.00 O ATOM 579 CB GLN X 41 47.485 -4.010 3.522 1.00 0.00 C ATOM 580 CG GLN X 41 47.942 -3.442 2.177 1.00 0.00 C ATOM 581 CD GLN X 41 49.293 -4.038 1.793 1.00 0.00 C ATOM 582 OE1 GLN X 41 50.106 -4.348 2.662 1.00 0.00 O ATOM 583 NE2 GLN X 41 49.577 -4.225 0.533 1.00 0.00 N ATOM 0 H GLN X 41 47.337 -1.813 5.050 1.00 0.00 H new ATOM 0 HA GLN X 41 45.511 -3.224 3.187 1.00 0.00 H new ATOM 0 HB2 GLN X 41 48.283 -3.915 4.259 1.00 0.00 H new ATOM 0 HB3 GLN X 41 47.266 -5.073 3.424 1.00 0.00 H new ATOM 0 HG2 GLN X 41 47.204 -3.667 1.408 1.00 0.00 H new ATOM 0 HG3 GLN X 41 48.018 -2.356 2.238 1.00 0.00 H new ATOM 0 HE21 GLN X 41 48.901 -3.967 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN X 41 50.475 -4.629 0.267 1.00 0.00 H new ATOM 592 N THR X 42 45.173 -3.223 6.180 1.00 0.00 N ATOM 593 CA THR X 42 44.567 -3.810 7.366 1.00 0.00 C ATOM 594 C THR X 42 43.072 -3.513 7.407 1.00 0.00 C ATOM 595 O THR X 42 42.249 -4.365 7.076 1.00 0.00 O ATOM 596 CB THR X 42 45.237 -3.254 8.623 1.00 0.00 C ATOM 597 OG1 THR X 42 45.256 -1.835 8.557 1.00 0.00 O ATOM 598 CG2 THR X 42 46.670 -3.782 8.718 1.00 0.00 C ATOM 0 H THR X 42 45.221 -2.204 6.187 1.00 0.00 H new ATOM 0 HA THR X 42 44.708 -4.890 7.328 1.00 0.00 H new ATOM 0 HB THR X 42 44.678 -3.571 9.504 1.00 0.00 H new ATOM 0 HG1 THR X 42 45.683 -1.476 9.362 1.00 0.00 H new ATOM 0 HG21 THR X 42 47.146 -3.384 9.615 1.00 0.00 H new ATOM 0 HG22 THR X 42 46.654 -4.871 8.768 1.00 0.00 H new ATOM 0 HG23 THR X 42 47.233 -3.467 7.839 1.00 0.00 H new ATOM 606 N GLY X 43 42.729 -2.299 7.818 1.00 0.00 N ATOM 607 CA GLY X 43 41.332 -1.895 7.903 1.00 0.00 C ATOM 608 C GLY X 43 40.776 -2.148 9.301 1.00 0.00 C ATOM 609 O GLY X 43 41.349 -2.908 10.080 1.00 0.00 O ATOM 0 H GLY X 43 43.396 -1.580 8.097 1.00 0.00 H new ATOM 0 HA2 GLY X 43 41.240 -0.837 7.657 1.00 0.00 H new ATOM 0 HA3 GLY X 43 40.745 -2.446 7.168 1.00 0.00 H new ATOM 613 N ILE X 44 39.656 -1.507 9.610 1.00 0.00 N ATOM 614 CA ILE X 44 39.029 -1.673 10.918 1.00 0.00 C ATOM 615 C ILE X 44 38.531 -3.102 11.093 1.00 0.00 C ATOM 616 O ILE X 44 38.484 -3.620 12.210 1.00 0.00 O ATOM 617 CB ILE X 44 37.857 -0.700 11.059 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.782 -1.030 10.022 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.350 0.731 10.837 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.592 -0.091 10.202 1.00 0.00 C ATOM 0 H ILE X 44 39.165 -0.872 8.980 1.00 0.00 H new ATOM 0 HA ILE X 44 39.771 -1.462 11.688 1.00 0.00 H new ATOM 0 HB ILE X 44 37.435 -0.792 12.060 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.189 -0.929 9.016 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.461 -2.066 10.133 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.514 1.423 10.938 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.112 0.972 11.578 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.775 0.818 9.837 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.827 -0.327 9.462 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.179 -0.214 11.203 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.919 0.940 10.069 1.00 0.00 H new ATOM 632 N VAL X 45 38.153 -3.730 9.982 1.00 0.00 N ATOM 633 CA VAL X 45 37.654 -5.098 10.026 1.00 0.00 C ATOM 634 C VAL X 45 38.720 -6.050 10.546 1.00 0.00 C ATOM 635 O VAL X 45 38.459 -6.863 11.428 1.00 0.00 O ATOM 636 CB VAL X 45 37.222 -5.542 8.625 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.947 -7.049 8.627 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.946 -4.792 8.226 1.00 0.00 C ATOM 0 H VAL X 45 38.183 -3.317 9.050 1.00 0.00 H new ATOM 0 HA VAL X 45 36.800 -5.124 10.702 1.00 0.00 H new ATOM 0 HB VAL X 45 38.016 -5.319 7.912 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.640 -7.364 7.630 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.853 -7.584 8.914 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.153 -7.273 9.339 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.636 -5.106 7.229 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.154 -5.017 8.940 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.140 -3.719 8.225 1.00 0.00 H new ATOM 648 N ASP X 46 39.919 -5.941 9.989 1.00 0.00 N ATOM 649 CA ASP X 46 41.019 -6.797 10.403 1.00 0.00 C ATOM 650 C ASP X 46 41.401 -6.525 11.852 1.00 0.00 C ATOM 651 O ASP X 46 41.771 -7.435 12.585 1.00 0.00 O ATOM 652 CB ASP X 46 42.237 -6.563 9.501 1.00 0.00 C ATOM 653 CG ASP X 46 41.979 -7.146 8.116 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.025 -7.893 7.977 1.00 0.00 O ATOM 655 OD2 ASP X 46 42.742 -6.838 7.216 1.00 0.00 O ATOM 0 H ASP X 46 40.152 -5.273 9.255 1.00 0.00 H new ATOM 0 HA ASP X 46 40.694 -7.834 10.315 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.442 -5.495 9.423 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.120 -7.026 9.941 1.00 0.00 H new ATOM 660 N GLU X 47 41.351 -5.257 12.249 1.00 0.00 N ATOM 661 CA GLU X 47 41.745 -4.897 13.604 1.00 0.00 C ATOM 662 C GLU X 47 40.855 -5.581 14.631 1.00 0.00 C ATOM 663 O GLU X 47 41.353 -6.222 15.556 1.00 0.00 O ATOM 664 CB GLU X 47 41.621 -3.376 13.774 1.00 0.00 C ATOM 665 CG GLU X 47 42.712 -2.680 12.959 1.00 0.00 C ATOM 666 CD GLU X 47 42.478 -1.172 12.950 1.00 0.00 C ATOM 667 OE1 GLU X 47 41.397 -0.756 13.334 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.385 -0.454 12.555 1.00 0.00 O ATOM 0 H GLU X 47 41.048 -4.477 11.665 1.00 0.00 H new ATOM 0 HA GLU X 47 42.774 -5.220 13.763 1.00 0.00 H new ATOM 0 HB2 GLU X 47 40.637 -3.042 13.444 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.712 -3.109 14.827 1.00 0.00 H new ATOM 0 HG2 GLU X 47 43.691 -2.901 13.384 1.00 0.00 H new ATOM 0 HG3 GLU X 47 42.714 -3.062 11.938 1.00 0.00 H new ATOM 675 N CYS X 48 39.541 -5.454 14.457 1.00 0.00 N ATOM 676 CA CYS X 48 38.596 -6.074 15.379 1.00 0.00 C ATOM 677 C CYS X 48 38.567 -7.587 15.190 1.00 0.00 C ATOM 678 O CYS X 48 38.494 -8.345 16.155 1.00 0.00 O ATOM 679 CB CYS X 48 37.195 -5.505 15.148 1.00 0.00 C ATOM 680 SG CYS X 48 37.159 -3.772 15.654 1.00 0.00 S ATOM 0 H CYS X 48 39.111 -4.932 13.693 1.00 0.00 H new ATOM 0 HA CYS X 48 38.918 -5.855 16.397 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.924 -5.594 14.096 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.461 -6.076 15.716 1.00 0.00 H new ATOM 685 N CYS X 49 38.604 -8.018 13.929 1.00 0.00 N ATOM 686 CA CYS X 49 38.555 -9.441 13.619 1.00 0.00 C ATOM 687 C CYS X 49 39.724 -10.174 14.260 1.00 0.00 C ATOM 688 O CYS X 49 39.540 -11.204 14.909 1.00 0.00 O ATOM 689 CB CYS X 49 38.591 -9.643 12.100 1.00 0.00 C ATOM 690 SG CYS X 49 38.491 -11.409 11.722 1.00 0.00 S ATOM 0 H CYS X 49 38.667 -7.407 13.115 1.00 0.00 H new ATOM 0 HA CYS X 49 37.627 -9.849 14.020 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.761 -9.113 11.632 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.509 -9.224 11.689 1.00 0.00 H new ATOM 695 N PHE X 50 40.927 -9.643 14.071 1.00 0.00 N ATOM 696 CA PHE X 50 42.118 -10.262 14.632 1.00 0.00 C ATOM 697 C PHE X 50 42.310 -9.827 16.084 1.00 0.00 C ATOM 698 O PHE X 50 42.123 -10.615 17.013 1.00 0.00 O ATOM 699 CB PHE X 50 43.346 -9.867 13.806 1.00 0.00 C ATOM 700 CG PHE X 50 43.330 -10.619 12.497 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.521 -10.168 11.442 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.122 -11.759 12.333 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.506 -10.855 10.224 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.108 -12.449 11.114 1.00 0.00 C ATOM 705 CZ PHE X 50 43.300 -11.999 10.059 1.00 0.00 C ATOM 0 H PHE X 50 41.101 -8.791 13.537 1.00 0.00 H new ATOM 0 HA PHE X 50 41.996 -11.345 14.604 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.344 -8.793 13.621 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.258 -10.094 14.358 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.908 -9.288 11.571 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.744 -12.107 13.145 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.885 -10.505 9.413 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.721 -13.329 10.986 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.290 -12.533 9.120 1.00 0.00 H new ATOM 715 N ARG X 51 42.688 -8.565 16.271 1.00 0.00 N ATOM 716 CA ARG X 51 42.903 -8.031 17.609 1.00 0.00 C ATOM 717 C ARG X 51 41.575 -7.638 18.248 1.00 0.00 C ATOM 718 O ARG X 51 40.569 -7.467 17.560 1.00 0.00 O ATOM 719 CB ARG X 51 43.826 -6.815 17.547 1.00 0.00 C ATOM 720 CG ARG X 51 45.241 -7.268 17.180 1.00 0.00 C ATOM 721 CD ARG X 51 46.120 -6.044 16.944 1.00 0.00 C ATOM 722 NE ARG X 51 45.737 -5.369 15.709 1.00 0.00 N ATOM 723 CZ ARG X 51 46.302 -4.221 15.346 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.218 -3.665 16.099 1.00 0.00 N ATOM 725 NH2 ARG X 51 45.941 -3.643 14.231 1.00 0.00 N ATOM 0 H ARG X 51 42.850 -7.898 15.517 1.00 0.00 H new ATOM 0 HA ARG X 51 43.370 -8.805 18.218 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.458 -6.103 16.809 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.835 -6.302 18.509 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.658 -7.880 17.980 1.00 0.00 H new ATOM 0 HG3 ARG X 51 45.215 -7.889 16.284 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.029 -5.356 17.785 1.00 0.00 H new ATOM 0 HD3 ARG X 51 47.166 -6.345 16.891 1.00 0.00 H new ATOM 0 HE ARG X 51 45.022 -5.785 15.112 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.503 -4.113 16.970 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.647 -2.784 15.814 1.00 0.00 H new ATOM 0 HH21 ARG X 51 45.228 -4.072 13.642 1.00 0.00 H new ATOM 0 HH22 ARG X 51 46.373 -2.763 13.950 1.00 0.00 H new ATOM 739 N SER X 52 41.573 -7.500 19.567 1.00 0.00 N ATOM 740 CA SER X 52 40.358 -7.125 20.278 1.00 0.00 C ATOM 741 C SER X 52 40.244 -5.607 20.377 1.00 0.00 C ATOM 742 O SER X 52 40.821 -4.987 21.271 1.00 0.00 O ATOM 743 CB SER X 52 40.373 -7.729 21.682 1.00 0.00 C ATOM 744 OG SER X 52 39.215 -7.304 22.390 1.00 0.00 O ATOM 0 H SER X 52 42.390 -7.640 20.161 1.00 0.00 H new ATOM 0 HA SER X 52 39.500 -7.507 19.725 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.397 -8.817 21.622 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.272 -7.419 22.214 1.00 0.00 H new ATOM 0 HG SER X 52 39.221 -7.691 23.290 1.00 0.00 H new ATOM 750 N CYS X 53 39.491 -5.013 19.455 1.00 0.00 N ATOM 751 CA CYS X 53 39.305 -3.567 19.451 1.00 0.00 C ATOM 752 C CYS X 53 38.279 -3.156 20.503 1.00 0.00 C ATOM 753 O CYS X 53 37.304 -3.867 20.743 1.00 0.00 O ATOM 754 CB CYS X 53 38.844 -3.109 18.068 1.00 0.00 C ATOM 755 SG CYS X 53 37.249 -3.861 17.676 1.00 0.00 S ATOM 0 H CYS X 53 39.004 -5.507 18.707 1.00 0.00 H new ATOM 0 HA CYS X 53 40.256 -3.092 19.690 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.760 -2.023 18.044 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.583 -3.389 17.317 1.00 0.00 H new ATOM 760 N ASP X 54 38.507 -2.005 21.124 1.00 0.00 N ATOM 761 CA ASP X 54 37.597 -1.506 22.147 1.00 0.00 C ATOM 762 C ASP X 54 36.380 -0.843 21.511 1.00 0.00 C ATOM 763 O ASP X 54 36.458 -0.300 20.409 1.00 0.00 O ATOM 764 CB ASP X 54 38.319 -0.500 23.044 1.00 0.00 C ATOM 765 CG ASP X 54 37.536 -0.300 24.340 1.00 0.00 C ATOM 766 OD1 ASP X 54 36.744 -1.166 24.670 1.00 0.00 O ATOM 767 OD2 ASP X 54 37.743 0.716 24.982 1.00 0.00 O ATOM 0 H ASP X 54 39.309 -1.403 20.939 1.00 0.00 H new ATOM 0 HA ASP X 54 37.261 -2.352 22.747 1.00 0.00 H new ATOM 0 HB2 ASP X 54 39.324 -0.856 23.268 1.00 0.00 H new ATOM 0 HB3 ASP X 54 38.427 0.452 22.524 1.00 0.00 H new ATOM 772 N LEU X 55 35.253 -0.887 22.213 1.00 0.00 N ATOM 773 CA LEU X 55 34.026 -0.282 21.708 1.00 0.00 C ATOM 774 C LEU X 55 34.187 1.228 21.578 1.00 0.00 C ATOM 775 O LEU X 55 33.693 1.835 20.626 1.00 0.00 O ATOM 776 CB LEU X 55 32.864 -0.597 22.653 1.00 0.00 C ATOM 777 CG LEU X 55 32.529 -2.087 22.576 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.554 -2.450 23.698 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.883 -2.399 21.222 1.00 0.00 C ATOM 0 H LEU X 55 35.163 -1.332 23.127 1.00 0.00 H new ATOM 0 HA LEU X 55 33.815 -0.697 20.722 1.00 0.00 H new ATOM 0 HB2 LEU X 55 33.129 -0.326 23.675 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.991 -0.003 22.382 1.00 0.00 H new ATOM 0 HG LEU X 55 33.444 -2.669 22.685 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.315 -3.512 23.643 1.00 0.00 H new ATOM 0 HD12 LEU X 55 32.011 -2.230 24.663 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.640 -1.866 23.589 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.645 -3.461 21.169 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.968 -1.816 21.112 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.576 -2.142 20.421 1.00 0.00 H new ATOM 791 N ARG X 56 34.873 1.832 22.544 1.00 0.00 N ATOM 792 CA ARG X 56 35.084 3.274 22.527 1.00 0.00 C ATOM 793 C ARG X 56 35.813 3.697 21.252 1.00 0.00 C ATOM 794 O ARG X 56 35.396 4.643 20.582 1.00 0.00 O ATOM 795 CB ARG X 56 35.906 3.694 23.746 1.00 0.00 C ATOM 796 CG ARG X 56 36.111 5.209 23.726 1.00 0.00 C ATOM 797 CD ARG X 56 36.785 5.648 25.022 1.00 0.00 C ATOM 798 NE ARG X 56 35.884 5.466 26.153 1.00 0.00 N ATOM 799 CZ ARG X 56 36.281 5.709 27.400 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.503 6.117 27.637 1.00 0.00 N ATOM 801 NH2 ARG X 56 35.450 5.538 28.392 1.00 0.00 N ATOM 0 H ARG X 56 35.288 1.350 23.341 1.00 0.00 H new ATOM 0 HA ARG X 56 34.111 3.764 22.555 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.395 3.398 24.662 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.870 3.186 23.740 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.724 5.492 22.871 1.00 0.00 H new ATOM 0 HG3 ARG X 56 35.152 5.715 23.613 1.00 0.00 H new ATOM 0 HD2 ARG X 56 37.696 5.071 25.179 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.080 6.695 24.949 1.00 0.00 H new ATOM 0 HE ARG X 56 34.930 5.146 25.986 1.00 0.00 H new ATOM 0 HH11 ARG X 56 38.155 6.250 26.864 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.802 6.302 28.594 1.00 0.00 H new ATOM 0 HH21 ARG X 56 34.498 5.219 28.211 1.00 0.00 H new ATOM 0 HH22 ARG X 56 35.752 5.724 29.348 1.00 0.00 H new ATOM 815 N ARG X 57 36.888 2.982 20.904 1.00 0.00 N ATOM 816 CA ARG X 57 37.636 3.281 19.707 1.00 0.00 C ATOM 817 C ARG X 57 36.779 3.045 18.470 1.00 0.00 C ATOM 818 O ARG X 57 36.850 3.801 17.503 1.00 0.00 O ATOM 819 CB ARG X 57 38.888 2.410 19.657 1.00 0.00 C ATOM 820 CG ARG X 57 39.643 2.696 18.367 1.00 0.00 C ATOM 821 CD ARG X 57 40.971 1.952 18.382 1.00 0.00 C ATOM 822 NE ARG X 57 41.897 2.565 19.325 1.00 0.00 N ATOM 823 CZ ARG X 57 43.117 2.067 19.524 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.514 1.003 18.871 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.923 2.644 20.373 1.00 0.00 N ATOM 0 H ARG X 57 37.249 2.195 21.443 1.00 0.00 H new ATOM 0 HA ARG X 57 37.929 4.331 19.724 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.524 2.616 20.518 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.615 1.356 19.707 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.049 2.384 17.508 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.815 3.767 18.263 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.806 0.909 18.653 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.407 1.956 17.383 1.00 0.00 H new ATOM 0 HE ARG X 57 41.605 3.393 19.844 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.888 0.550 18.205 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.449 0.627 19.028 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.619 3.474 20.882 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.857 2.265 20.527 1.00 0.00 H new ATOM 839 N LEU X 58 35.981 1.982 18.504 1.00 0.00 N ATOM 840 CA LEU X 58 35.123 1.646 17.373 1.00 0.00 C ATOM 841 C LEU X 58 34.170 2.799 17.076 1.00 0.00 C ATOM 842 O LEU X 58 33.753 2.996 15.945 1.00 0.00 O ATOM 843 CB LEU X 58 34.320 0.382 17.682 1.00 0.00 C ATOM 844 CG LEU X 58 34.084 -0.404 16.392 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.369 -1.140 16.003 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.967 -1.423 16.611 1.00 0.00 C ATOM 0 H LEU X 58 35.911 1.343 19.296 1.00 0.00 H new ATOM 0 HA LEU X 58 35.750 1.468 16.500 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.857 -0.235 18.403 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.366 0.647 18.138 1.00 0.00 H new ATOM 0 HG LEU X 58 33.799 0.284 15.596 1.00 0.00 H new ATOM 0 HD11 LEU X 58 35.203 -1.701 15.083 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.170 -0.417 15.847 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.651 -1.827 16.801 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.800 -1.983 15.691 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.253 -2.111 17.407 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.051 -0.904 16.892 1.00 0.00 H new ATOM 858 N ASP X 59 33.833 3.562 18.101 1.00 0.00 N ATOM 859 CA ASP X 59 32.934 4.700 17.934 1.00 0.00 C ATOM 860 C ASP X 59 33.539 5.724 16.975 1.00 0.00 C ATOM 861 O ASP X 59 32.823 6.399 16.235 1.00 0.00 O ATOM 862 CB ASP X 59 32.670 5.364 19.285 1.00 0.00 C ATOM 863 CG ASP X 59 31.552 6.392 19.153 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.096 6.605 18.042 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.170 6.955 20.167 1.00 0.00 O ATOM 0 H ASP X 59 34.164 3.419 19.055 1.00 0.00 H new ATOM 0 HA ASP X 59 31.994 4.336 17.519 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.396 4.610 20.023 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.578 5.847 19.645 1.00 0.00 H new ATOM 870 N MET X 60 34.863 5.846 17.006 1.00 0.00 N ATOM 871 CA MET X 60 35.551 6.802 16.147 1.00 0.00 C ATOM 872 C MET X 60 35.481 6.371 14.682 1.00 0.00 C ATOM 873 O MET X 60 35.770 7.160 13.782 1.00 0.00 O ATOM 874 CB MET X 60 37.014 6.929 16.576 1.00 0.00 C ATOM 875 CG MET X 60 37.085 7.617 17.942 1.00 0.00 C ATOM 876 SD MET X 60 38.808 8.001 18.338 1.00 0.00 S ATOM 877 CE MET X 60 39.333 6.318 18.758 1.00 0.00 C ATOM 0 H MET X 60 35.476 5.300 17.611 1.00 0.00 H new ATOM 0 HA MET X 60 35.056 7.768 16.247 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.476 5.943 16.628 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.573 7.504 15.837 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.491 8.531 17.932 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.660 6.970 18.709 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.302 6.115 18.302 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.414 6.222 19.841 1.00 0.00 H new ATOM 0 HE3 MET X 60 38.599 5.604 18.384 1.00 0.00 H new ATOM 887 N TYR X 61 35.092 5.121 14.448 1.00 0.00 N ATOM 888 CA TYR X 61 34.988 4.603 13.085 1.00 0.00 C ATOM 889 C TYR X 61 33.741 5.135 12.403 1.00 0.00 C ATOM 890 O TYR X 61 33.587 4.997 11.189 1.00 0.00 O ATOM 891 CB TYR X 61 34.961 3.067 13.121 1.00 0.00 C ATOM 892 CG TYR X 61 36.307 2.535 13.578 1.00 0.00 C ATOM 893 CD1 TYR X 61 37.382 3.407 13.840 1.00 0.00 C ATOM 894 CD2 TYR X 61 36.483 1.157 13.749 1.00 0.00 C ATOM 895 CE1 TYR X 61 38.602 2.913 14.263 1.00 0.00 C ATOM 896 CE2 TYR X 61 37.718 0.660 14.181 1.00 0.00 C ATOM 897 CZ TYR X 61 38.780 1.540 14.431 1.00 0.00 C ATOM 898 OH TYR X 61 40.001 1.055 14.845 1.00 0.00 O ATOM 0 H TYR X 61 34.845 4.452 15.177 1.00 0.00 H new ATOM 0 HA TYR X 61 35.855 4.935 12.514 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.177 2.725 13.796 1.00 0.00 H new ATOM 0 HB3 TYR X 61 34.723 2.676 12.132 1.00 0.00 H new ATOM 0 HD1 TYR X 61 37.252 4.471 13.709 1.00 0.00 H new ATOM 0 HD2 TYR X 61 35.667 0.478 13.548 1.00 0.00 H new ATOM 0 HE1 TYR X 61 39.418 3.591 14.464 1.00 0.00 H new ATOM 0 HE2 TYR X 61 37.853 -0.402 14.322 1.00 0.00 H new ATOM 0 HH TYR X 61 40.367 0.460 14.158 1.00 0.00 H new ATOM 908 N CYS X 62 32.853 5.741 13.186 1.00 0.00 N ATOM 909 CA CYS X 62 31.625 6.286 12.643 1.00 0.00 C ATOM 910 C CYS X 62 31.924 7.505 11.773 1.00 0.00 C ATOM 911 O CYS X 62 32.917 8.198 11.982 1.00 0.00 O ATOM 912 CB CYS X 62 30.692 6.689 13.784 1.00 0.00 C ATOM 913 SG CYS X 62 30.341 5.249 14.825 1.00 0.00 S ATOM 0 H CYS X 62 32.965 5.864 14.192 1.00 0.00 H new ATOM 0 HA CYS X 62 31.144 5.524 12.030 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.151 7.477 14.380 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.763 7.094 13.381 1.00 0.00 H new ATOM 918 N ALA X 63 31.060 7.755 10.792 1.00 0.00 N ATOM 919 CA ALA X 63 31.236 8.879 9.896 1.00 0.00 C ATOM 920 C ALA X 63 30.966 10.194 10.624 1.00 0.00 C ATOM 921 O ALA X 63 30.266 10.220 11.638 1.00 0.00 O ATOM 922 CB ALA X 63 30.289 8.751 8.701 1.00 0.00 C ATOM 0 H ALA X 63 30.232 7.190 10.603 1.00 0.00 H new ATOM 0 HA ALA X 63 32.267 8.878 9.543 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.429 9.601 8.033 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.504 7.828 8.163 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.258 8.733 9.054 1.00 0.00 H new ATOM 928 N PRO X 64 31.509 11.271 10.129 1.00 0.00 N ATOM 929 CA PRO X 64 31.333 12.622 10.734 1.00 0.00 C ATOM 930 C PRO X 64 29.942 13.191 10.480 1.00 0.00 C ATOM 931 O PRO X 64 29.266 12.801 9.529 1.00 0.00 O ATOM 932 CB PRO X 64 32.412 13.465 10.055 1.00 0.00 C ATOM 933 CG PRO X 64 32.653 12.808 8.736 1.00 0.00 C ATOM 934 CD PRO X 64 32.349 11.318 8.925 1.00 0.00 C ATOM 0 HA PRO X 64 31.428 12.602 11.820 1.00 0.00 H new ATOM 0 HB2 PRO X 64 32.083 14.496 9.927 1.00 0.00 H new ATOM 0 HB3 PRO X 64 33.323 13.493 10.653 1.00 0.00 H new ATOM 0 HG2 PRO X 64 32.013 13.239 7.966 1.00 0.00 H new ATOM 0 HG3 PRO X 64 33.684 12.955 8.413 1.00 0.00 H new ATOM 0 HD2 PRO X 64 31.829 10.905 8.061 1.00 0.00 H new ATOM 0 HD3 PRO X 64 33.263 10.738 9.054 1.00 0.00 H new ATOM 942 N LEU X 65 29.519 14.110 11.340 1.00 0.00 N ATOM 943 CA LEU X 65 28.204 14.727 11.197 1.00 0.00 C ATOM 944 C LEU X 65 28.199 15.720 10.042 1.00 0.00 C ATOM 945 O LEU X 65 29.209 16.370 9.766 1.00 0.00 O ATOM 946 CB LEU X 65 27.830 15.449 12.494 1.00 0.00 C ATOM 947 CG LEU X 65 27.818 14.450 13.651 1.00 0.00 C ATOM 948 CD1 LEU X 65 27.600 15.195 14.967 1.00 0.00 C ATOM 949 CD2 LEU X 65 26.681 13.446 13.449 1.00 0.00 C ATOM 0 H LEU X 65 30.061 14.443 12.137 1.00 0.00 H new ATOM 0 HA LEU X 65 27.475 13.944 10.988 1.00 0.00 H new ATOM 0 HB2 LEU X 65 28.544 16.247 12.697 1.00 0.00 H new ATOM 0 HB3 LEU X 65 26.850 15.916 12.393 1.00 0.00 H new ATOM 0 HG LEU X 65 28.772 13.923 13.681 1.00 0.00 H new ATOM 0 HD11 LEU X 65 27.592 14.482 15.792 1.00 0.00 H new ATOM 0 HD12 LEU X 65 28.406 15.913 15.116 1.00 0.00 H new ATOM 0 HD13 LEU X 65 26.646 15.722 14.933 1.00 0.00 H new ATOM 0 HD21 LEU X 65 26.673 12.734 14.274 1.00 0.00 H new ATOM 0 HD22 LEU X 65 25.729 13.976 13.418 1.00 0.00 H new ATOM 0 HD23 LEU X 65 26.830 12.912 12.511 1.00 0.00 H new ATOM 961 N LYS X 66 27.057 15.832 9.372 1.00 0.00 N ATOM 962 CA LYS X 66 26.932 16.747 8.250 1.00 0.00 C ATOM 963 C LYS X 66 26.927 18.199 8.733 1.00 0.00 C ATOM 964 O LYS X 66 26.541 18.480 9.868 1.00 0.00 O ATOM 965 CB LYS X 66 25.644 16.464 7.475 1.00 0.00 C ATOM 966 CG LYS X 66 25.771 15.121 6.755 1.00 0.00 C ATOM 967 CD LYS X 66 24.479 14.830 5.990 1.00 0.00 C ATOM 968 CE LYS X 66 24.602 13.484 5.275 1.00 0.00 C ATOM 969 NZ LYS X 66 23.338 13.195 4.539 1.00 0.00 N ATOM 0 H LYS X 66 26.212 15.303 9.587 1.00 0.00 H new ATOM 0 HA LYS X 66 27.789 16.595 7.594 1.00 0.00 H new ATOM 0 HB2 LYS X 66 24.793 16.445 8.156 1.00 0.00 H new ATOM 0 HB3 LYS X 66 25.458 17.260 6.754 1.00 0.00 H new ATOM 0 HG2 LYS X 66 26.616 15.143 6.067 1.00 0.00 H new ATOM 0 HG3 LYS X 66 25.967 14.327 7.475 1.00 0.00 H new ATOM 0 HD2 LYS X 66 23.633 14.813 6.677 1.00 0.00 H new ATOM 0 HD3 LYS X 66 24.286 15.622 5.266 1.00 0.00 H new ATOM 0 HE2 LYS X 66 25.443 13.504 4.582 1.00 0.00 H new ATOM 0 HE3 LYS X 66 24.804 12.693 5.998 1.00 0.00 H new ATOM 0 HZ1 LYS X 66 23.421 12.280 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS X 66 22.545 13.159 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS X 66 23.165 13.944 3.839 1.00 0.00 H new ATOM 983 N PRO X 67 27.350 19.112 7.898 1.00 0.00 N ATOM 984 CA PRO X 67 27.399 20.562 8.247 1.00 0.00 C ATOM 985 C PRO X 67 26.009 21.175 8.369 1.00 0.00 C ATOM 986 O PRO X 67 25.074 20.761 7.682 1.00 0.00 O ATOM 987 CB PRO X 67 28.176 21.185 7.084 1.00 0.00 C ATOM 988 CG PRO X 67 27.970 20.259 5.933 1.00 0.00 C ATOM 989 CD PRO X 67 27.821 18.865 6.526 1.00 0.00 C ATOM 0 HA PRO X 67 27.864 20.735 9.218 1.00 0.00 H new ATOM 0 HB2 PRO X 67 27.807 22.185 6.855 1.00 0.00 H new ATOM 0 HB3 PRO X 67 29.234 21.283 7.326 1.00 0.00 H new ATOM 0 HG2 PRO X 67 27.082 20.537 5.365 1.00 0.00 H new ATOM 0 HG3 PRO X 67 28.814 20.300 5.245 1.00 0.00 H new ATOM 0 HD2 PRO X 67 27.108 18.265 5.961 1.00 0.00 H new ATOM 0 HD3 PRO X 67 28.768 18.325 6.520 1.00 0.00 H new ATOM 997 N ALA X 68 25.878 22.161 9.250 1.00 0.00 N ATOM 998 CA ALA X 68 24.595 22.823 9.457 1.00 0.00 C ATOM 999 C ALA X 68 24.162 23.560 8.193 1.00 0.00 C ATOM 1000 O ALA X 68 24.982 24.166 7.504 1.00 0.00 O ATOM 1001 CB ALA X 68 24.700 23.815 10.616 1.00 0.00 C ATOM 0 H ALA X 68 26.639 22.518 9.829 1.00 0.00 H new ATOM 0 HA ALA X 68 23.850 22.063 9.695 1.00 0.00 H new ATOM 0 HB1 ALA X 68 23.738 24.305 10.764 1.00 0.00 H new ATOM 0 HB2 ALA X 68 24.980 23.284 11.526 1.00 0.00 H new ATOM 0 HB3 ALA X 68 25.457 24.565 10.386 1.00 0.00 H new ATOM 1007 N LYS X 69 22.868 23.504 7.895 1.00 0.00 N ATOM 1008 CA LYS X 69 22.339 24.172 6.712 1.00 0.00 C ATOM 1009 C LYS X 69 22.255 25.676 6.941 1.00 0.00 C ATOM 1010 O LYS X 69 21.972 26.130 8.049 1.00 0.00 O ATOM 1011 CB LYS X 69 20.946 23.627 6.390 1.00 0.00 C ATOM 1012 CG LYS X 69 21.014 22.108 6.211 1.00 0.00 C ATOM 1013 CD LYS X 69 21.902 21.769 5.012 1.00 0.00 C ATOM 1014 CE LYS X 69 21.808 20.273 4.715 1.00 0.00 C ATOM 1015 NZ LYS X 69 22.304 19.501 5.889 1.00 0.00 N ATOM 0 H LYS X 69 22.172 23.007 8.451 1.00 0.00 H new ATOM 0 HA LYS X 69 23.010 23.980 5.875 1.00 0.00 H new ATOM 0 HB2 LYS X 69 20.253 23.877 7.193 1.00 0.00 H new ATOM 0 HB3 LYS X 69 20.564 24.093 5.482 1.00 0.00 H new ATOM 0 HG2 LYS X 69 21.412 21.643 7.113 1.00 0.00 H new ATOM 0 HG3 LYS X 69 20.013 21.705 6.060 1.00 0.00 H new ATOM 0 HD2 LYS X 69 21.589 22.344 4.140 1.00 0.00 H new ATOM 0 HD3 LYS X 69 22.935 22.045 5.222 1.00 0.00 H new ATOM 0 HE2 LYS X 69 20.776 19.999 4.496 1.00 0.00 H new ATOM 0 HE3 LYS X 69 22.397 20.029 3.831 1.00 0.00 H new ATOM 0 HZ1 LYS X 69 22.465 18.512 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS X 69 23.196 19.916 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS X 69 21.597 19.536 6.651 1.00 0.00 H new ATOM 1029 N SER X 70 22.507 26.445 5.886 1.00 0.00 N ATOM 1030 CA SER X 70 22.459 27.899 5.985 1.00 0.00 C ATOM 1031 C SER X 70 21.060 28.365 6.374 1.00 0.00 C ATOM 1032 O SER X 70 20.901 29.276 7.185 1.00 0.00 O ATOM 1033 CB SER X 70 22.852 28.525 4.646 1.00 0.00 C ATOM 1034 OG SER X 70 24.216 28.234 4.375 1.00 0.00 O ATOM 0 H SER X 70 22.745 26.089 4.960 1.00 0.00 H new ATOM 0 HA SER X 70 23.162 28.215 6.756 1.00 0.00 H new ATOM 0 HB2 SER X 70 22.219 28.134 3.849 1.00 0.00 H new ATOM 0 HB3 SER X 70 22.697 29.604 4.676 1.00 0.00 H new ATOM 0 HG SER X 70 24.471 28.632 3.517 1.00 0.00 H new ATOM 1040 N ALA X 71 20.048 27.729 5.792 1.00 0.00 N ATOM 1041 CA ALA X 71 18.665 28.084 6.088 1.00 0.00 C ATOM 1042 C ALA X 71 18.453 29.587 5.934 1.00 0.00 C ATOM 1043 CB ALA X 71 18.310 27.661 7.514 1.00 0.00 C ATOM 0 H ALA X 71 20.158 26.971 5.118 1.00 0.00 H new ATOM 0 HA ALA X 71 18.018 27.562 5.383 1.00 0.00 H new ATOM 0 HB1 ALA X 71 17.275 27.930 7.726 1.00 0.00 H new ATOM 0 HB2 ALA X 71 18.433 26.583 7.615 1.00 0.00 H new ATOM 0 HB3 ALA X 71 18.969 28.168 8.219 1.00 0.00 H new TER 1049 ALA X 71