USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 150:sc= 0.872 USER MOD Set 1.2: A 66 TYR OH : rot -39:sc= 0.617 USER MOD Set 2.1: A 37 ASN : amide:sc= 1.06 K(o=1.9,f=0.4) USER MOD Set 2.2: A 42 THR OG1 : rot -140:sc= 0.877 USER MOD Set 3.1: A 19 ASN : amide:sc= 1.93 K(o=3,f=-11!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ -127:sc= 1.06 (180deg=0) USER MOD Set 4.1: A 4 LYS NZ :NH3+ 178:sc= 1.72 (180deg=0.871) USER MOD Set 4.2: A 74 GLN : amide:sc= 0.461 K(o=2.2,f=-5.5) USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.0172 (180deg=-0.366) USER MOD Single : A 2 THR OG1 : rot -110:sc= 0 USER MOD Single : A 12 MET CE :methyl -146:sc=-0.00225 (180deg=-0.324) USER MOD Single : A 13 THR OG1 : rot 166:sc= 1.18 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.502 K(o=-0.5,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.911 K(o=0.91,f=-0.12) USER MOD Single : A 44 THR OG1 : rot -114:sc= 1.29 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0782 K(o=-0.078,f=-5.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00624 USER MOD Single : A 58 LYS NZ :NH3+ -109:sc= -0.756! (180deg=-4.85!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0671 (180deg=-0.468) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.885 12.673 9.373 1.00 10.00 N ATOM 2 CA VAL A 1 -9.617 11.399 10.062 1.00 10.00 C ATOM 3 C VAL A 1 -8.412 10.736 9.400 1.00 10.00 C ATOM 4 O VAL A 1 -7.308 10.817 9.925 1.00 10.00 O ATOM 5 CB VAL A 1 -10.858 10.483 10.073 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.553 9.153 10.770 1.00 10.00 C ATOM 7 CG2 VAL A 1 -12.032 11.154 10.793 1.00 10.00 C ATOM 0 H1 VAL A 1 -10.497 13.267 9.968 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.987 13.168 9.196 1.00 10.00 H new ATOM 0 H3 VAL A 1 -10.360 12.485 8.467 1.00 10.00 H new ATOM 0 HA VAL A 1 -9.386 11.590 11.110 1.00 10.00 H new ATOM 0 HB VAL A 1 -11.127 10.297 9.033 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.445 8.526 10.764 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.747 8.643 10.243 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.250 9.343 11.800 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -12.893 10.486 10.786 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -11.750 11.372 11.823 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -12.289 12.083 10.283 1.00 10.00 H new ATOM 19 N THR A 2 -8.633 10.142 8.227 1.00 10.00 N ATOM 20 CA THR A 2 -7.607 9.625 7.338 1.00 10.00 C ATOM 21 C THR A 2 -7.901 10.170 5.935 1.00 10.00 C ATOM 22 O THR A 2 -8.888 10.885 5.755 1.00 10.00 O ATOM 23 CB THR A 2 -7.605 8.089 7.398 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.928 7.596 7.398 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.896 7.591 8.661 1.00 10.00 C ATOM 0 H THR A 2 -9.575 10.005 7.860 1.00 10.00 H new ATOM 0 HA THR A 2 -6.608 9.946 7.632 1.00 10.00 H new ATOM 0 HB THR A 2 -7.073 7.725 6.519 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.136 7.218 8.278 1.00 10.00 H new ATOM 0 HG21 THR A 2 -6.908 6.501 8.679 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.864 7.942 8.661 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.410 7.975 9.542 1.00 10.00 H new ATOM 33 N GLU A 3 -7.013 9.876 4.986 1.00 10.00 N ATOM 34 CA GLU A 3 -6.913 10.454 3.662 1.00 10.00 C ATOM 35 C GLU A 3 -6.597 9.305 2.702 1.00 10.00 C ATOM 36 O GLU A 3 -5.941 8.342 3.099 1.00 10.00 O ATOM 37 CB GLU A 3 -5.761 11.469 3.700 1.00 10.00 C ATOM 38 CG GLU A 3 -6.095 12.792 3.015 1.00 10.00 C ATOM 39 CD GLU A 3 -5.007 13.806 3.336 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.919 13.681 2.736 1.00 10.00 O ATOM 41 OE2 GLU A 3 -5.261 14.642 4.231 1.00 10.00 O ATOM 0 H GLU A 3 -6.292 9.172 5.143 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.825 10.957 3.342 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.492 11.664 4.738 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.885 11.031 3.221 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.170 12.649 1.937 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.063 13.158 3.356 1.00 10.00 H new ATOM 48 N LYS A 4 -7.075 9.385 1.461 1.00 10.00 N ATOM 49 CA LYS A 4 -6.921 8.324 0.476 1.00 10.00 C ATOM 50 C LYS A 4 -5.656 8.563 -0.341 1.00 10.00 C ATOM 51 O LYS A 4 -5.419 9.681 -0.787 1.00 10.00 O ATOM 52 CB LYS A 4 -8.139 8.317 -0.450 1.00 10.00 C ATOM 53 CG LYS A 4 -9.418 7.844 0.252 1.00 10.00 C ATOM 54 CD LYS A 4 -9.432 6.329 0.479 1.00 10.00 C ATOM 55 CE LYS A 4 -10.880 5.864 0.696 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.966 4.403 0.876 1.00 10.00 N ATOM 0 H LYS A 4 -7.584 10.197 1.111 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.842 7.362 0.983 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.296 9.321 -0.843 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.937 7.669 -1.303 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.513 8.353 1.211 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.284 8.127 -0.346 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.998 5.817 -0.379 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.822 6.073 1.345 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -11.294 6.363 1.572 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.489 6.161 -0.158 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.954 4.133 1.053 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.626 3.927 0.016 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.379 4.118 1.685 1.00 10.00 H new ATOM 70 N ALA A 5 -4.873 7.506 -0.566 1.00 10.00 N ATOM 71 CA ALA A 5 -3.708 7.521 -1.432 1.00 10.00 C ATOM 72 C ALA A 5 -3.709 6.225 -2.243 1.00 10.00 C ATOM 73 O ALA A 5 -4.047 5.171 -1.698 1.00 10.00 O ATOM 74 CB ALA A 5 -2.455 7.632 -0.566 1.00 10.00 C ATOM 0 H ALA A 5 -5.042 6.596 -0.137 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.727 8.369 -2.116 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.572 7.644 -1.204 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.495 8.553 0.016 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.403 6.778 0.109 1.00 10.00 H new ATOM 80 N GLU A 6 -3.341 6.292 -3.528 1.00 10.00 N ATOM 81 CA GLU A 6 -3.205 5.131 -4.386 1.00 10.00 C ATOM 82 C GLU A 6 -1.802 5.054 -4.950 1.00 10.00 C ATOM 83 O GLU A 6 -1.143 6.080 -5.136 1.00 10.00 O ATOM 84 CB GLU A 6 -4.211 5.174 -5.531 1.00 10.00 C ATOM 85 CG GLU A 6 -5.569 4.694 -5.030 1.00 10.00 C ATOM 86 CD GLU A 6 -6.447 4.127 -6.134 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.256 4.532 -7.301 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.285 3.273 -5.772 1.00 10.00 O ATOM 0 H GLU A 6 -3.128 7.172 -3.999 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.402 4.246 -3.781 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.293 6.189 -5.920 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.871 4.544 -6.353 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.419 3.931 -4.266 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.088 5.525 -4.553 1.00 10.00 H new ATOM 95 N PHE A 7 -1.377 3.816 -5.208 1.00 10.00 N ATOM 96 CA PHE A 7 -0.013 3.472 -5.550 1.00 10.00 C ATOM 97 C PHE A 7 0.004 2.374 -6.613 1.00 10.00 C ATOM 98 O PHE A 7 -0.751 1.405 -6.517 1.00 10.00 O ATOM 99 CB PHE A 7 0.762 3.030 -4.295 1.00 10.00 C ATOM 100 CG PHE A 7 0.425 3.745 -3.011 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.744 3.385 -2.326 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.257 4.755 -2.502 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.125 4.076 -1.175 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.864 5.457 -1.351 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.300 5.081 -0.662 1.00 10.00 C ATOM 0 H PHE A 7 -1.998 3.007 -5.182 1.00 10.00 H new ATOM 0 HA PHE A 7 0.479 4.355 -5.959 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.592 1.964 -4.147 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.827 3.159 -4.488 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.352 2.570 -2.690 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.191 4.990 -2.991 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.055 3.835 -0.682 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.457 6.286 -0.996 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.558 5.569 0.266 1.00 10.00 H new ATOM 115 N ASP A 8 0.874 2.536 -7.609 1.00 10.00 N ATOM 116 CA ASP A 8 1.009 1.675 -8.772 1.00 10.00 C ATOM 117 C ASP A 8 2.130 0.657 -8.513 1.00 10.00 C ATOM 118 O ASP A 8 3.145 1.013 -7.905 1.00 10.00 O ATOM 119 CB ASP A 8 1.294 2.578 -9.978 1.00 10.00 C ATOM 120 CG ASP A 8 0.936 1.904 -11.290 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.286 0.716 -11.425 1.00 10.00 O ATOM 122 OD2 ASP A 8 0.307 2.597 -12.120 1.00 10.00 O ATOM 0 H ASP A 8 1.535 3.313 -7.622 1.00 10.00 H new ATOM 0 HA ASP A 8 0.103 1.104 -8.973 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.727 3.504 -9.880 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.350 2.850 -9.986 1.00 10.00 H new ATOM 127 N ILE A 9 1.896 -0.617 -8.854 1.00 10.00 N ATOM 128 CA ILE A 9 2.685 -1.770 -8.440 1.00 10.00 C ATOM 129 C ILE A 9 3.532 -2.311 -9.592 1.00 10.00 C ATOM 130 O ILE A 9 2.991 -2.847 -10.556 1.00 10.00 O ATOM 131 CB ILE A 9 1.740 -2.878 -7.917 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.568 -2.346 -7.081 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.535 -3.874 -7.074 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.060 -1.456 -5.952 1.00 10.00 C ATOM 0 H ILE A 9 1.113 -0.877 -9.454 1.00 10.00 H new ATOM 0 HA ILE A 9 3.363 -1.454 -7.647 1.00 10.00 H new ATOM 0 HB ILE A 9 1.313 -3.356 -8.799 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.113 -1.784 -7.720 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.002 -3.182 -6.669 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.868 -4.654 -6.706 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.318 -4.324 -7.685 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.987 -3.356 -6.229 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.208 -1.094 -5.377 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.721 -2.027 -5.300 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.604 -0.608 -6.368 1.00 10.00 H new ATOM 146 N GLU A 10 4.861 -2.257 -9.457 1.00 10.00 N ATOM 147 CA GLU A 10 5.770 -2.904 -10.380 1.00 10.00 C ATOM 148 C GLU A 10 6.263 -4.189 -9.718 1.00 10.00 C ATOM 149 O GLU A 10 7.189 -4.154 -8.902 1.00 10.00 O ATOM 150 CB GLU A 10 6.917 -1.949 -10.715 1.00 10.00 C ATOM 151 CG GLU A 10 6.451 -0.777 -11.589 1.00 10.00 C ATOM 152 CD GLU A 10 7.610 0.170 -11.867 1.00 10.00 C ATOM 153 OE1 GLU A 10 7.926 0.971 -10.956 1.00 10.00 O ATOM 154 OE2 GLU A 10 8.194 0.046 -12.964 1.00 10.00 O ATOM 0 H GLU A 10 5.328 -1.759 -8.699 1.00 10.00 H new ATOM 0 HA GLU A 10 5.279 -3.157 -11.320 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.349 -1.563 -9.792 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.705 -2.496 -11.232 1.00 10.00 H new ATOM 0 HG2 GLU A 10 6.047 -1.154 -12.529 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.646 -0.239 -11.089 1.00 10.00 H new ATOM 161 N GLY A 11 5.633 -5.316 -10.066 1.00 10.00 N ATOM 162 CA GLY A 11 6.104 -6.642 -9.703 1.00 10.00 C ATOM 163 C GLY A 11 4.959 -7.643 -9.557 1.00 10.00 C ATOM 164 O GLY A 11 4.461 -8.155 -10.557 1.00 10.00 O ATOM 0 H GLY A 11 4.773 -5.325 -10.614 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.801 -6.998 -10.462 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.656 -6.585 -8.765 1.00 10.00 H new ATOM 168 N MET A 12 4.574 -7.972 -8.320 1.00 10.00 N ATOM 169 CA MET A 12 3.612 -9.036 -8.064 1.00 10.00 C ATOM 170 C MET A 12 2.177 -8.565 -8.285 1.00 10.00 C ATOM 171 O MET A 12 1.831 -7.417 -8.017 1.00 10.00 O ATOM 172 CB MET A 12 3.786 -9.587 -6.647 1.00 10.00 C ATOM 173 CG MET A 12 5.088 -10.379 -6.463 1.00 10.00 C ATOM 174 SD MET A 12 5.173 -11.980 -7.314 1.00 10.00 S ATOM 175 CE MET A 12 6.152 -11.565 -8.776 1.00 10.00 C ATOM 0 H MET A 12 4.919 -7.510 -7.479 1.00 10.00 H new ATOM 0 HA MET A 12 3.808 -9.836 -8.778 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.768 -8.760 -5.937 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.940 -10.231 -6.408 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.917 -9.762 -6.809 1.00 10.00 H new ATOM 0 HG3 MET A 12 5.239 -10.548 -5.397 1.00 10.00 H new ATOM 0 HE1 MET A 12 5.813 -12.162 -9.622 1.00 10.00 H new ATOM 0 HE2 MET A 12 6.031 -10.507 -9.007 1.00 10.00 H new ATOM 0 HE3 MET A 12 7.204 -11.776 -8.581 1.00 10.00 H new ATOM 185 N THR A 13 1.345 -9.495 -8.759 1.00 10.00 N ATOM 186 CA THR A 13 -0.050 -9.289 -9.105 1.00 10.00 C ATOM 187 C THR A 13 -0.793 -10.579 -8.731 1.00 10.00 C ATOM 188 O THR A 13 -1.155 -11.378 -9.591 1.00 10.00 O ATOM 189 CB THR A 13 -0.129 -8.877 -10.590 1.00 10.00 C ATOM 190 OG1 THR A 13 -1.458 -8.736 -11.024 1.00 10.00 O ATOM 191 CG2 THR A 13 0.619 -9.806 -11.558 1.00 10.00 C ATOM 0 H THR A 13 1.647 -10.456 -8.917 1.00 10.00 H new ATOM 0 HA THR A 13 -0.533 -8.478 -8.560 1.00 10.00 H new ATOM 0 HB THR A 13 0.380 -7.914 -10.619 1.00 10.00 H new ATOM 0 HG1 THR A 13 -1.473 -8.264 -11.882 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.507 -9.436 -12.577 1.00 10.00 H new ATOM 0 HG22 THR A 13 1.677 -9.830 -11.295 1.00 10.00 H new ATOM 0 HG23 THR A 13 0.205 -10.812 -11.489 1.00 10.00 H new ATOM 199 N CYS A 14 -0.949 -10.855 -7.426 1.00 10.00 N ATOM 200 CA CYS A 14 -1.512 -12.127 -6.990 1.00 10.00 C ATOM 201 C CYS A 14 -2.033 -11.986 -5.567 1.00 10.00 C ATOM 202 O CYS A 14 -1.408 -11.319 -4.744 1.00 10.00 O ATOM 203 CB CYS A 14 -0.455 -13.239 -7.080 1.00 10.00 C ATOM 204 SG CYS A 14 -1.215 -14.754 -7.719 1.00 10.00 S ATOM 0 H CYS A 14 -0.695 -10.219 -6.670 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.340 -12.401 -7.644 1.00 10.00 H new ATOM 0 HB2 CYS A 14 0.361 -12.927 -7.732 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -0.023 -13.424 -6.096 1.00 10.00 H new ATOM 0 HG CYS A 14 -0.317 -15.691 -7.796 1.00 10.00 H new ATOM 210 N ALA A 15 -3.181 -12.605 -5.282 1.00 10.00 N ATOM 211 CA ALA A 15 -3.945 -12.382 -4.061 1.00 10.00 C ATOM 212 C ALA A 15 -3.144 -12.638 -2.790 1.00 10.00 C ATOM 213 O ALA A 15 -3.191 -11.829 -1.869 1.00 10.00 O ATOM 214 CB ALA A 15 -5.236 -13.204 -4.087 1.00 10.00 C ATOM 0 H ALA A 15 -3.610 -13.287 -5.907 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.200 -11.323 -4.035 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.798 -13.029 -3.169 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.840 -12.906 -4.944 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.991 -14.263 -4.166 1.00 10.00 H new ATOM 220 N ALA A 16 -2.394 -13.740 -2.734 1.00 10.00 N ATOM 221 CA ALA A 16 -1.625 -14.095 -1.554 1.00 10.00 C ATOM 222 C ALA A 16 -0.625 -12.982 -1.268 1.00 10.00 C ATOM 223 O ALA A 16 -0.436 -12.566 -0.126 1.00 10.00 O ATOM 224 CB ALA A 16 -0.902 -15.422 -1.802 1.00 10.00 C ATOM 0 H ALA A 16 -2.307 -14.404 -3.504 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.282 -14.214 -0.692 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.324 -15.692 -0.918 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.634 -16.202 -2.009 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -0.233 -15.318 -2.656 1.00 10.00 H new ATOM 230 N CYS A 17 0.010 -12.498 -2.336 1.00 10.00 N ATOM 231 CA CYS A 17 1.088 -11.545 -2.219 1.00 10.00 C ATOM 232 C CYS A 17 0.525 -10.181 -1.827 1.00 10.00 C ATOM 233 O CYS A 17 0.958 -9.562 -0.855 1.00 10.00 O ATOM 234 CB CYS A 17 1.898 -11.506 -3.519 1.00 10.00 C ATOM 235 SG CYS A 17 3.649 -11.431 -3.080 1.00 10.00 S ATOM 0 H CYS A 17 -0.215 -12.760 -3.296 1.00 10.00 H new ATOM 0 HA CYS A 17 1.776 -11.848 -1.430 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.694 -12.390 -4.123 1.00 10.00 H new ATOM 0 HB3 CYS A 17 1.617 -10.639 -4.118 1.00 10.00 H new ATOM 0 HG CYS A 17 4.354 -12.012 -4.005 1.00 10.00 H new ATOM 241 N ALA A 18 -0.505 -9.749 -2.559 1.00 10.00 N ATOM 242 CA ALA A 18 -1.315 -8.578 -2.255 1.00 10.00 C ATOM 243 C ALA A 18 -1.719 -8.559 -0.777 1.00 10.00 C ATOM 244 O ALA A 18 -1.470 -7.586 -0.070 1.00 10.00 O ATOM 245 CB ALA A 18 -2.545 -8.595 -3.158 1.00 10.00 C ATOM 0 H ALA A 18 -0.804 -10.226 -3.409 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.736 -7.673 -2.440 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.165 -7.724 -2.945 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.231 -8.570 -4.201 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.119 -9.503 -2.974 1.00 10.00 H new ATOM 251 N ASN A 19 -2.292 -9.659 -0.287 1.00 10.00 N ATOM 252 CA ASN A 19 -2.687 -9.784 1.119 1.00 10.00 C ATOM 253 C ASN A 19 -1.528 -9.489 2.087 1.00 10.00 C ATOM 254 O ASN A 19 -1.744 -9.073 3.226 1.00 10.00 O ATOM 255 CB ASN A 19 -3.333 -11.160 1.380 1.00 10.00 C ATOM 256 CG ASN A 19 -2.753 -11.895 2.584 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.369 -11.970 3.645 1.00 10.00 O ATOM 258 ND2 ASN A 19 -1.552 -12.448 2.436 1.00 10.00 N ATOM 0 H ASN A 19 -2.495 -10.485 -0.849 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.438 -9.019 1.319 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.404 -11.025 1.530 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.211 -11.782 0.493 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -1.122 -12.949 3.214 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -1.062 -12.371 1.545 1.00 10.00 H new ATOM 265 N ARG A 20 -0.285 -9.740 1.671 1.00 10.00 N ATOM 266 CA ARG A 20 0.866 -9.523 2.520 1.00 10.00 C ATOM 267 C ARG A 20 1.110 -8.019 2.644 1.00 10.00 C ATOM 268 O ARG A 20 1.458 -7.537 3.728 1.00 10.00 O ATOM 269 CB ARG A 20 2.086 -10.274 1.965 1.00 10.00 C ATOM 270 CG ARG A 20 2.878 -10.989 3.067 1.00 10.00 C ATOM 271 CD ARG A 20 3.312 -10.047 4.197 1.00 10.00 C ATOM 272 NE ARG A 20 4.163 -10.745 5.171 1.00 10.00 N ATOM 273 CZ ARG A 20 4.459 -10.276 6.394 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.014 -9.071 6.769 1.00 10.00 N ATOM 275 NH2 ARG A 20 5.190 -11.016 7.234 1.00 10.00 N ATOM 0 H ARG A 20 -0.059 -10.096 0.742 1.00 10.00 H new ATOM 0 HA ARG A 20 0.684 -9.920 3.519 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.756 -11.004 1.226 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.739 -9.571 1.449 1.00 10.00 H new ATOM 0 HG2 ARG A 20 2.269 -11.791 3.483 1.00 10.00 H new ATOM 0 HG3 ARG A 20 3.761 -11.454 2.629 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.853 -9.198 3.779 1.00 10.00 H new ATOM 0 HD3 ARG A 20 2.431 -9.647 4.700 1.00 10.00 H new ATOM 0 HE ARG A 20 4.555 -11.647 4.900 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.452 -8.512 6.127 1.00 10.00 H new ATOM 0 HH12 ARG A 20 4.237 -8.711 7.697 1.00 10.00 H new ATOM 0 HH21 ARG A 20 5.523 -11.936 6.946 1.00 10.00 H new ATOM 0 HH22 ARG A 20 5.415 -10.660 8.163 1.00 10.00 H new ATOM 289 N ILE A 21 0.884 -7.278 1.548 1.00 10.00 N ATOM 290 CA ILE A 21 0.837 -5.826 1.593 1.00 10.00 C ATOM 291 C ILE A 21 -0.122 -5.412 2.689 1.00 10.00 C ATOM 292 O ILE A 21 0.306 -4.737 3.616 1.00 10.00 O ATOM 293 CB ILE A 21 0.409 -5.189 0.260 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.166 -5.743 -0.944 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.537 -3.664 0.339 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.670 -5.837 -0.679 1.00 10.00 C ATOM 0 H ILE A 21 0.731 -7.672 0.620 1.00 10.00 H new ATOM 0 HA ILE A 21 1.847 -5.468 1.793 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.636 -5.455 0.102 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.779 -6.731 -1.193 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.989 -5.104 -1.809 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.231 -3.224 -0.610 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.102 -3.286 1.137 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.573 -3.396 0.546 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.171 -6.236 -1.561 1.00 10.00 H new ATOM 0 HD12 ILE A 21 3.063 -4.845 -0.456 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.849 -6.497 0.170 1.00 10.00 H new ATOM 308 N GLU A 22 -1.383 -5.844 2.610 1.00 10.00 N ATOM 309 CA GLU A 22 -2.404 -5.480 3.582 1.00 10.00 C ATOM 310 C GLU A 22 -1.879 -5.615 5.014 1.00 10.00 C ATOM 311 O GLU A 22 -2.110 -4.744 5.841 1.00 10.00 O ATOM 312 CB GLU A 22 -3.671 -6.317 3.383 1.00 10.00 C ATOM 313 CG GLU A 22 -4.233 -6.193 1.960 1.00 10.00 C ATOM 314 CD GLU A 22 -5.558 -6.927 1.819 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.641 -8.047 2.371 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.452 -6.361 1.156 1.00 10.00 O ATOM 0 H GLU A 22 -1.720 -6.457 1.867 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.661 -4.433 3.419 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.450 -7.363 3.594 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.429 -6.001 4.100 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.371 -5.140 1.712 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.514 -6.597 1.247 1.00 10.00 H new ATOM 323 N LYS A 23 -1.126 -6.678 5.308 1.00 10.00 N ATOM 324 CA LYS A 23 -0.553 -6.900 6.626 1.00 10.00 C ATOM 325 C LYS A 23 0.553 -5.885 6.943 1.00 10.00 C ATOM 326 O LYS A 23 0.504 -5.229 7.983 1.00 10.00 O ATOM 327 CB LYS A 23 -0.061 -8.354 6.762 1.00 10.00 C ATOM 328 CG LYS A 23 -0.719 -9.108 7.936 1.00 10.00 C ATOM 329 CD LYS A 23 -1.327 -10.448 7.503 1.00 10.00 C ATOM 330 CE LYS A 23 -2.567 -10.244 6.613 1.00 10.00 C ATOM 331 NZ LYS A 23 -3.132 -11.531 6.160 1.00 10.00 N ATOM 0 H LYS A 23 -0.899 -7.408 4.632 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.336 -6.743 7.367 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.265 -8.889 5.834 1.00 10.00 H new ATOM 0 HB3 LYS A 23 1.020 -8.354 6.898 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.024 -9.284 8.714 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.497 -8.484 8.375 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -0.581 -11.029 6.961 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.602 -11.026 8.385 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.324 -9.689 7.166 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.298 -9.640 5.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.228 -11.523 5.124 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -2.500 -12.307 6.443 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.067 -11.671 6.593 1.00 10.00 H new ATOM 345 N ARG A 24 1.576 -5.763 6.085 1.00 10.00 N ATOM 346 CA ARG A 24 2.657 -4.819 6.382 1.00 10.00 C ATOM 347 C ARG A 24 2.119 -3.385 6.472 1.00 10.00 C ATOM 348 O ARG A 24 2.563 -2.614 7.318 1.00 10.00 O ATOM 349 CB ARG A 24 3.815 -4.891 5.371 1.00 10.00 C ATOM 350 CG ARG A 24 5.011 -5.754 5.817 1.00 10.00 C ATOM 351 CD ARG A 24 6.374 -5.136 5.438 1.00 10.00 C ATOM 352 NE ARG A 24 6.672 -3.892 6.187 1.00 10.00 N ATOM 353 CZ ARG A 24 7.802 -3.161 6.068 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.856 -3.631 5.396 1.00 10.00 N ATOM 355 NH2 ARG A 24 7.880 -1.916 6.544 1.00 10.00 N ATOM 0 H ARG A 24 1.676 -6.284 5.214 1.00 10.00 H new ATOM 0 HA ARG A 24 3.063 -5.114 7.350 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.432 -5.285 4.429 1.00 10.00 H new ATOM 0 HB3 ARG A 24 4.169 -3.879 5.173 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.969 -5.893 6.897 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.928 -6.742 5.365 1.00 10.00 H new ATOM 0 HD2 ARG A 24 7.162 -5.865 5.626 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.386 -4.922 4.369 1.00 10.00 H new ATOM 0 HE ARG A 24 5.967 -3.561 6.846 1.00 10.00 H new ATOM 0 HH11 ARG A 24 8.815 -4.554 4.964 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.702 -3.067 5.315 1.00 10.00 H new ATOM 0 HH21 ARG A 24 7.075 -1.497 7.010 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.744 -1.384 6.442 1.00 10.00 H new ATOM 369 N LEU A 25 1.186 -3.028 5.594 1.00 10.00 N ATOM 370 CA LEU A 25 0.576 -1.715 5.559 1.00 10.00 C ATOM 371 C LEU A 25 -0.351 -1.516 6.760 1.00 10.00 C ATOM 372 O LEU A 25 -0.301 -0.468 7.396 1.00 10.00 O ATOM 373 CB LEU A 25 -0.113 -1.497 4.202 1.00 10.00 C ATOM 374 CG LEU A 25 0.569 -0.358 3.434 1.00 10.00 C ATOM 375 CD1 LEU A 25 0.251 -0.461 1.941 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.050 0.965 4.005 1.00 10.00 C ATOM 0 H LEU A 25 0.830 -3.660 4.876 1.00 10.00 H new ATOM 0 HA LEU A 25 1.343 -0.946 5.648 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.074 -2.415 3.615 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.166 -1.262 4.355 1.00 10.00 H new ATOM 0 HG LEU A 25 1.652 -0.417 3.546 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.741 0.353 1.408 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.612 -1.415 1.557 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.827 -0.395 1.793 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.517 1.797 3.478 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.031 1.017 3.878 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.294 1.024 5.066 1.00 10.00 H new ATOM 388 N ASN A 26 -1.142 -2.529 7.129 1.00 10.00 N ATOM 389 CA ASN A 26 -1.921 -2.499 8.366 1.00 10.00 C ATOM 390 C ASN A 26 -1.018 -2.222 9.562 1.00 10.00 C ATOM 391 O ASN A 26 -1.477 -1.635 10.538 1.00 10.00 O ATOM 392 CB ASN A 26 -2.688 -3.806 8.622 1.00 10.00 C ATOM 393 CG ASN A 26 -4.007 -3.919 7.860 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.389 -3.046 7.087 1.00 10.00 O ATOM 395 ND2 ASN A 26 -4.740 -5.005 8.098 1.00 10.00 N ATOM 0 H ASN A 26 -1.258 -3.383 6.584 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.649 -1.697 8.243 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.051 -4.647 8.349 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.890 -3.892 9.690 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.640 -5.125 7.633 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.401 -5.717 8.745 1.00 10.00 H new ATOM 402 N LYS A 27 0.250 -2.650 9.519 1.00 10.00 N ATOM 403 CA LYS A 27 1.159 -2.328 10.605 1.00 10.00 C ATOM 404 C LYS A 27 1.325 -0.814 10.813 1.00 10.00 C ATOM 405 O LYS A 27 1.580 -0.405 11.941 1.00 10.00 O ATOM 406 CB LYS A 27 2.524 -2.997 10.394 1.00 10.00 C ATOM 407 CG LYS A 27 2.938 -3.816 11.620 1.00 10.00 C ATOM 408 CD LYS A 27 4.459 -3.847 11.791 1.00 10.00 C ATOM 409 CE LYS A 27 5.166 -4.329 10.519 1.00 10.00 C ATOM 410 NZ LYS A 27 6.631 -4.370 10.716 1.00 10.00 N ATOM 0 H LYS A 27 0.653 -3.204 8.763 1.00 10.00 H new ATOM 0 HA LYS A 27 0.708 -2.725 11.515 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.482 -3.645 9.518 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.277 -2.236 10.192 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.480 -3.392 12.513 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.562 -4.834 11.522 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.816 -2.850 12.049 1.00 10.00 H new ATOM 0 HD3 LYS A 27 4.718 -4.504 12.622 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.803 -5.321 10.249 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.925 -3.665 9.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.090 -4.699 9.843 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.976 -3.418 10.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.859 -5.022 11.493 1.00 10.00 H new ATOM 424 N ILE A 28 1.235 0.000 9.752 1.00 10.00 N ATOM 425 CA ILE A 28 1.404 1.446 9.855 1.00 10.00 C ATOM 426 C ILE A 28 0.386 2.019 10.842 1.00 10.00 C ATOM 427 O ILE A 28 -0.819 1.896 10.643 1.00 10.00 O ATOM 428 CB ILE A 28 1.267 2.114 8.470 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.260 1.580 7.421 1.00 10.00 C ATOM 430 CG2 ILE A 28 1.396 3.637 8.583 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.690 1.443 7.930 1.00 10.00 C ATOM 0 H ILE A 28 1.044 -0.329 8.805 1.00 10.00 H new ATOM 0 HA ILE A 28 2.407 1.657 10.226 1.00 10.00 H new ATOM 0 HB ILE A 28 0.270 1.853 8.117 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.915 0.607 7.073 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.255 2.247 6.559 1.00 10.00 H new ATOM 0 HG21 ILE A 28 1.296 4.085 7.594 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.613 4.021 9.236 1.00 10.00 H new ATOM 0 HG23 ILE A 28 2.371 3.890 8.999 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.326 1.061 7.131 1.00 10.00 H new ATOM 0 HD12 ILE A 28 4.057 2.418 8.251 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.712 0.752 8.772 1.00 10.00 H new ATOM 443 N GLU A 29 0.864 2.677 11.893 1.00 10.00 N ATOM 444 CA GLU A 29 0.036 3.191 12.961 1.00 10.00 C ATOM 445 C GLU A 29 -1.040 4.154 12.444 1.00 10.00 C ATOM 446 O GLU A 29 -2.200 4.020 12.828 1.00 10.00 O ATOM 447 CB GLU A 29 0.921 3.819 14.048 1.00 10.00 C ATOM 448 CG GLU A 29 1.662 2.772 14.907 1.00 10.00 C ATOM 449 CD GLU A 29 2.909 2.141 14.283 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.195 2.423 13.098 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.562 1.372 15.021 1.00 10.00 O ATOM 0 H GLU A 29 1.858 2.868 12.022 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.509 2.361 13.410 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.652 4.477 13.578 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.303 4.441 14.696 1.00 10.00 H new ATOM 0 HG2 GLU A 29 1.951 3.243 15.846 1.00 10.00 H new ATOM 0 HG3 GLU A 29 0.962 1.974 15.153 1.00 10.00 H new ATOM 458 N GLY A 30 -0.722 5.116 11.566 1.00 10.00 N ATOM 459 CA GLY A 30 -1.709 6.096 11.156 1.00 10.00 C ATOM 460 C GLY A 30 -2.600 5.598 10.024 1.00 10.00 C ATOM 461 O GLY A 30 -3.009 6.401 9.192 1.00 10.00 O ATOM 0 H GLY A 30 0.197 5.227 11.138 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.330 6.360 12.012 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.201 7.006 10.839 1.00 10.00 H new ATOM 465 N VAL A 31 -2.901 4.303 9.956 1.00 10.00 N ATOM 466 CA VAL A 31 -3.671 3.724 8.875 1.00 10.00 C ATOM 467 C VAL A 31 -5.122 3.550 9.324 1.00 10.00 C ATOM 468 O VAL A 31 -5.394 3.365 10.508 1.00 10.00 O ATOM 469 CB VAL A 31 -2.996 2.414 8.448 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.403 1.219 9.319 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.232 2.125 6.971 1.00 10.00 C ATOM 0 H VAL A 31 -2.611 3.625 10.661 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.697 4.375 8.001 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.926 2.557 8.601 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.893 0.322 8.968 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.125 1.412 10.355 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.481 1.072 9.254 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.741 1.190 6.700 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.302 2.040 6.783 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.822 2.937 6.371 1.00 10.00 H new ATOM 481 N ALA A 32 -6.052 3.617 8.372 1.00 10.00 N ATOM 482 CA ALA A 32 -7.445 3.242 8.569 1.00 10.00 C ATOM 483 C ALA A 32 -7.706 1.945 7.816 1.00 10.00 C ATOM 484 O ALA A 32 -8.102 0.952 8.422 1.00 10.00 O ATOM 485 CB ALA A 32 -8.379 4.357 8.089 1.00 10.00 C ATOM 0 H ALA A 32 -5.851 3.940 7.426 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.642 3.092 9.630 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.415 4.056 8.245 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.177 5.268 8.652 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.211 4.541 7.028 1.00 10.00 H new ATOM 491 N ASN A 33 -7.490 1.955 6.497 1.00 10.00 N ATOM 492 CA ASN A 33 -7.800 0.825 5.627 1.00 10.00 C ATOM 493 C ASN A 33 -6.679 0.671 4.604 1.00 10.00 C ATOM 494 O ASN A 33 -6.037 1.656 4.246 1.00 10.00 O ATOM 495 CB ASN A 33 -9.130 1.047 4.888 1.00 10.00 C ATOM 496 CG ASN A 33 -10.309 1.387 5.796 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.633 0.641 6.712 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.981 2.505 5.538 1.00 10.00 N ATOM 0 H ASN A 33 -7.092 2.754 6.003 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.890 -0.074 6.237 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.000 1.853 4.166 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.371 0.147 4.322 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.787 2.759 6.109 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.690 3.109 4.769 1.00 10.00 H new ATOM 505 N ALA A 34 -6.471 -0.551 4.107 1.00 10.00 N ATOM 506 CA ALA A 34 -5.514 -0.853 3.046 1.00 10.00 C ATOM 507 C ALA A 34 -6.101 -1.827 2.012 1.00 10.00 C ATOM 508 O ALA A 34 -5.589 -2.934 1.869 1.00 10.00 O ATOM 509 CB ALA A 34 -4.228 -1.396 3.682 1.00 10.00 C ATOM 0 H ALA A 34 -6.975 -1.373 4.440 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.281 0.060 2.498 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.504 -1.626 2.900 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.810 -0.647 4.354 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.455 -2.302 4.244 1.00 10.00 H new ATOM 515 N PRO A 35 -7.171 -1.459 1.287 1.00 10.00 N ATOM 516 CA PRO A 35 -7.820 -2.340 0.323 1.00 10.00 C ATOM 517 C PRO A 35 -6.999 -2.462 -0.971 1.00 10.00 C ATOM 518 O PRO A 35 -7.329 -1.861 -1.988 1.00 10.00 O ATOM 519 CB PRO A 35 -9.201 -1.711 0.095 1.00 10.00 C ATOM 520 CG PRO A 35 -8.935 -0.217 0.286 1.00 10.00 C ATOM 521 CD PRO A 35 -7.908 -0.211 1.417 1.00 10.00 C ATOM 0 HA PRO A 35 -7.907 -3.365 0.684 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.584 -1.928 -0.902 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.937 -2.084 0.807 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.544 0.246 -0.620 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -9.841 0.326 0.556 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.241 0.648 1.336 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.397 -0.144 2.389 1.00 10.00 H new ATOM 529 N VAL A 36 -5.924 -3.249 -0.945 1.00 10.00 N ATOM 530 CA VAL A 36 -5.064 -3.547 -2.069 1.00 10.00 C ATOM 531 C VAL A 36 -5.834 -4.269 -3.189 1.00 10.00 C ATOM 532 O VAL A 36 -6.565 -5.219 -2.910 1.00 10.00 O ATOM 533 CB VAL A 36 -3.950 -4.428 -1.484 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.051 -4.948 -2.594 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.112 -3.685 -0.430 1.00 10.00 C ATOM 0 H VAL A 36 -5.621 -3.716 -0.090 1.00 10.00 H new ATOM 0 HA VAL A 36 -4.665 -2.645 -2.533 1.00 10.00 H new ATOM 0 HB VAL A 36 -4.433 -5.268 -0.984 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.266 -5.571 -2.165 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.642 -5.539 -3.294 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -2.600 -4.107 -3.121 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.338 -4.349 -0.046 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -2.647 -2.811 -0.885 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -3.757 -3.368 0.390 1.00 10.00 H new ATOM 545 N ASN A 37 -5.648 -3.881 -4.464 1.00 10.00 N ATOM 546 CA ASN A 37 -6.420 -4.475 -5.558 1.00 10.00 C ATOM 547 C ASN A 37 -5.663 -5.634 -6.217 1.00 10.00 C ATOM 548 O ASN A 37 -4.877 -5.436 -7.147 1.00 10.00 O ATOM 549 CB ASN A 37 -6.799 -3.425 -6.603 1.00 10.00 C ATOM 550 CG ASN A 37 -7.657 -2.285 -6.056 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.409 -2.467 -5.105 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.580 -1.106 -6.667 1.00 10.00 N ATOM 0 H ASN A 37 -4.978 -3.168 -4.754 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.337 -4.874 -5.123 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.887 -3.007 -7.030 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.337 -3.914 -7.415 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.155 -0.327 -6.346 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.946 -0.981 -7.456 1.00 10.00 H new ATOM 559 N PHE A 38 -5.949 -6.858 -5.769 1.00 10.00 N ATOM 560 CA PHE A 38 -5.278 -8.104 -6.137 1.00 10.00 C ATOM 561 C PHE A 38 -5.650 -8.627 -7.533 1.00 10.00 C ATOM 562 O PHE A 38 -5.945 -9.808 -7.704 1.00 10.00 O ATOM 563 CB PHE A 38 -5.563 -9.153 -5.051 1.00 10.00 C ATOM 564 CG PHE A 38 -6.998 -9.236 -4.559 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.932 -10.064 -5.210 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.398 -8.479 -3.440 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.267 -10.102 -4.770 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.737 -8.498 -3.017 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.672 -9.308 -3.682 1.00 10.00 C ATOM 0 H PHE A 38 -6.702 -7.014 -5.098 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.209 -7.898 -6.197 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.276 -10.131 -5.436 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -4.919 -8.945 -4.196 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.623 -10.671 -6.048 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.673 -7.883 -2.906 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.981 -10.741 -5.268 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.048 -7.890 -2.180 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.702 -9.321 -3.358 1.00 10.00 H new ATOM 579 N ALA A 39 -5.586 -7.756 -8.537 1.00 10.00 N ATOM 580 CA ALA A 39 -5.834 -8.078 -9.941 1.00 10.00 C ATOM 581 C ALA A 39 -5.595 -6.852 -10.820 1.00 10.00 C ATOM 582 O ALA A 39 -5.135 -6.973 -11.950 1.00 10.00 O ATOM 583 CB ALA A 39 -7.276 -8.555 -10.144 1.00 10.00 C ATOM 0 H ALA A 39 -5.352 -6.774 -8.391 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.146 -8.875 -10.224 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.437 -8.789 -11.196 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.452 -9.447 -9.543 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.966 -7.769 -9.837 1.00 10.00 H new ATOM 589 N LEU A 40 -5.967 -5.676 -10.308 1.00 10.00 N ATOM 590 CA LEU A 40 -5.954 -4.424 -11.049 1.00 10.00 C ATOM 591 C LEU A 40 -4.570 -3.773 -11.014 1.00 10.00 C ATOM 592 O LEU A 40 -4.311 -2.841 -11.769 1.00 10.00 O ATOM 593 CB LEU A 40 -7.007 -3.477 -10.461 1.00 10.00 C ATOM 594 CG LEU A 40 -8.330 -4.167 -10.079 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.306 -3.087 -9.618 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.927 -4.994 -11.220 1.00 10.00 C ATOM 0 H LEU A 40 -6.291 -5.572 -9.347 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.192 -4.632 -12.092 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.592 -2.995 -9.576 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.216 -2.689 -11.185 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.133 -4.879 -9.278 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.254 -3.548 -9.341 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.890 -2.565 -8.756 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.471 -2.376 -10.428 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.857 -5.454 -10.888 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.127 -4.346 -12.073 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.222 -5.772 -11.513 1.00 10.00 H new ATOM 608 N GLU A 41 -3.706 -4.268 -10.122 1.00 10.00 N ATOM 609 CA GLU A 41 -2.287 -3.933 -10.049 1.00 10.00 C ATOM 610 C GLU A 41 -2.104 -2.533 -9.471 1.00 10.00 C ATOM 611 O GLU A 41 -1.248 -1.763 -9.897 1.00 10.00 O ATOM 612 CB GLU A 41 -1.585 -4.159 -11.400 1.00 10.00 C ATOM 613 CG GLU A 41 -1.928 -5.564 -11.913 1.00 10.00 C ATOM 614 CD GLU A 41 -1.075 -6.026 -13.083 1.00 10.00 C ATOM 615 OE1 GLU A 41 -0.768 -5.184 -13.952 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.767 -7.238 -13.085 1.00 10.00 O ATOM 0 H GLU A 41 -3.990 -4.937 -9.406 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.789 -4.614 -9.359 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.905 -3.407 -12.121 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.506 -4.053 -11.286 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.817 -6.275 -11.094 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.976 -5.584 -12.212 1.00 10.00 H new ATOM 623 N THR A 42 -2.915 -2.236 -8.454 1.00 10.00 N ATOM 624 CA THR A 42 -2.916 -0.982 -7.731 1.00 10.00 C ATOM 625 C THR A 42 -3.117 -1.295 -6.256 1.00 10.00 C ATOM 626 O THR A 42 -4.049 -2.019 -5.901 1.00 10.00 O ATOM 627 CB THR A 42 -4.067 -0.104 -8.229 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.263 -0.852 -8.170 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.797 0.386 -9.648 1.00 10.00 C ATOM 0 H THR A 42 -3.612 -2.894 -8.105 1.00 10.00 H new ATOM 0 HA THR A 42 -1.976 -0.452 -7.885 1.00 10.00 H new ATOM 0 HB THR A 42 -4.159 0.777 -7.594 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.807 -0.662 -8.962 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.627 1.008 -9.982 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.877 0.970 -9.662 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.693 -0.470 -10.315 1.00 10.00 H new ATOM 637 N VAL A 43 -2.283 -0.722 -5.401 1.00 10.00 N ATOM 638 CA VAL A 43 -2.541 -0.681 -3.969 1.00 10.00 C ATOM 639 C VAL A 43 -3.281 0.625 -3.685 1.00 10.00 C ATOM 640 O VAL A 43 -2.986 1.652 -4.297 1.00 10.00 O ATOM 641 CB VAL A 43 -1.221 -0.780 -3.197 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.335 -0.380 -1.721 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.595 -2.177 -3.293 1.00 10.00 C ATOM 0 H VAL A 43 -1.410 -0.273 -5.679 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.153 -1.522 -3.644 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.569 -0.057 -3.687 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.361 -0.476 -1.242 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.674 0.653 -1.649 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.051 -1.033 -1.221 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.338 -2.197 -2.730 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.284 -2.914 -2.880 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.394 -2.415 -4.338 1.00 10.00 H new ATOM 653 N THR A 44 -4.212 0.575 -2.736 1.00 10.00 N ATOM 654 CA THR A 44 -5.033 1.686 -2.309 1.00 10.00 C ATOM 655 C THR A 44 -4.962 1.696 -0.784 1.00 10.00 C ATOM 656 O THR A 44 -5.233 0.664 -0.170 1.00 10.00 O ATOM 657 CB THR A 44 -6.454 1.422 -2.832 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.444 1.274 -4.242 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.447 2.490 -2.388 1.00 10.00 C ATOM 0 H THR A 44 -4.418 -0.284 -2.225 1.00 10.00 H new ATOM 0 HA THR A 44 -4.711 2.656 -2.687 1.00 10.00 H new ATOM 0 HB THR A 44 -6.795 0.486 -2.390 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.940 2.013 -4.652 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.435 2.256 -2.784 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.490 2.517 -1.299 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.127 3.462 -2.762 1.00 10.00 H new ATOM 667 N VAL A 45 -4.555 2.814 -0.169 1.00 10.00 N ATOM 668 CA VAL A 45 -4.495 2.953 1.280 1.00 10.00 C ATOM 669 C VAL A 45 -5.277 4.192 1.702 1.00 10.00 C ATOM 670 O VAL A 45 -5.292 5.203 1.002 1.00 10.00 O ATOM 671 CB VAL A 45 -3.039 3.020 1.773 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.955 3.059 3.303 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.245 1.802 1.292 1.00 10.00 C ATOM 0 H VAL A 45 -4.257 3.650 -0.672 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.948 2.074 1.739 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.618 3.938 1.363 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.910 3.106 3.609 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.482 3.938 3.674 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.414 2.160 3.716 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.219 1.871 1.653 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.705 0.892 1.678 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.246 1.774 0.202 1.00 10.00 H new ATOM 683 N GLU A 46 -5.915 4.092 2.863 1.00 10.00 N ATOM 684 CA GLU A 46 -6.582 5.155 3.574 1.00 10.00 C ATOM 685 C GLU A 46 -5.764 5.374 4.849 1.00 10.00 C ATOM 686 O GLU A 46 -5.823 4.535 5.753 1.00 10.00 O ATOM 687 CB GLU A 46 -8.013 4.671 3.825 1.00 10.00 C ATOM 688 CG GLU A 46 -9.010 5.780 4.181 1.00 10.00 C ATOM 689 CD GLU A 46 -10.444 5.337 3.924 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.617 4.186 3.451 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.351 6.171 4.101 1.00 10.00 O ATOM 0 H GLU A 46 -5.979 3.203 3.358 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.647 6.107 3.047 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.369 4.153 2.934 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -7.999 3.940 4.634 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.894 6.054 5.230 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.791 6.671 3.593 1.00 10.00 H new ATOM 698 N TYR A 47 -4.951 6.438 4.898 1.00 10.00 N ATOM 699 CA TYR A 47 -4.050 6.724 6.012 1.00 10.00 C ATOM 700 C TYR A 47 -4.095 8.203 6.377 1.00 10.00 C ATOM 701 O TYR A 47 -4.487 9.033 5.566 1.00 10.00 O ATOM 702 CB TYR A 47 -2.612 6.282 5.691 1.00 10.00 C ATOM 703 CG TYR A 47 -1.851 7.153 4.699 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.322 8.388 5.116 1.00 10.00 C ATOM 705 CD2 TYR A 47 -1.640 6.742 3.369 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.787 9.294 4.192 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.982 7.604 2.472 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.659 8.914 2.852 1.00 10.00 C ATOM 709 OH TYR A 47 -0.204 9.799 1.922 1.00 10.00 O ATOM 0 H TYR A 47 -4.904 7.132 4.152 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.390 6.150 6.874 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.047 6.248 6.623 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.644 5.265 5.301 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.329 8.641 6.166 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -1.981 5.772 3.039 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -0.476 10.278 4.511 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -0.724 7.254 1.484 1.00 10.00 H new ATOM 0 HH TYR A 47 -0.178 9.366 1.043 1.00 10.00 H new ATOM 719 N ASN A 48 -3.675 8.539 7.595 1.00 10.00 N ATOM 720 CA ASN A 48 -3.563 9.920 8.056 1.00 10.00 C ATOM 721 C ASN A 48 -2.138 10.424 7.849 1.00 10.00 C ATOM 722 O ASN A 48 -1.205 9.778 8.327 1.00 10.00 O ATOM 723 CB ASN A 48 -4.015 10.101 9.517 1.00 10.00 C ATOM 724 CG ASN A 48 -3.206 9.377 10.596 1.00 10.00 C ATOM 725 OD1 ASN A 48 -2.031 9.644 10.832 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.867 8.508 11.358 1.00 10.00 N ATOM 0 H ASN A 48 -3.400 7.852 8.297 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.245 10.522 7.455 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -4.003 11.167 9.744 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -5.051 9.771 9.593 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.397 8.059 12.144 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.843 8.291 11.156 1.00 10.00 H new ATOM 733 N PRO A 49 -1.926 11.555 7.158 1.00 10.00 N ATOM 734 CA PRO A 49 -0.612 12.166 7.077 1.00 10.00 C ATOM 735 C PRO A 49 -0.311 12.840 8.420 1.00 10.00 C ATOM 736 O PRO A 49 -0.227 14.063 8.507 1.00 10.00 O ATOM 737 CB PRO A 49 -0.711 13.159 5.912 1.00 10.00 C ATOM 738 CG PRO A 49 -2.173 13.601 5.958 1.00 10.00 C ATOM 739 CD PRO A 49 -2.903 12.333 6.407 1.00 10.00 C ATOM 0 HA PRO A 49 0.202 11.465 6.895 1.00 10.00 H new ATOM 0 HB2 PRO A 49 -0.031 14.001 6.041 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.461 12.690 4.960 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -2.324 14.423 6.658 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.522 13.944 4.984 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.766 12.578 7.026 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.274 11.771 5.550 1.00 10.00 H new ATOM 747 N LYS A 50 -0.180 12.037 9.480 1.00 10.00 N ATOM 748 CA LYS A 50 0.137 12.517 10.819 1.00 10.00 C ATOM 749 C LYS A 50 1.141 11.537 11.417 1.00 10.00 C ATOM 750 O LYS A 50 2.188 11.946 11.909 1.00 10.00 O ATOM 751 CB LYS A 50 -1.161 12.740 11.636 1.00 10.00 C ATOM 752 CG LYS A 50 -1.338 11.879 12.898 1.00 10.00 C ATOM 753 CD LYS A 50 -2.791 11.871 13.390 1.00 10.00 C ATOM 754 CE LYS A 50 -2.974 10.687 14.353 1.00 10.00 C ATOM 755 NZ LYS A 50 -4.379 10.507 14.768 1.00 10.00 N ATOM 0 H LYS A 50 -0.293 11.025 9.427 1.00 10.00 H new ATOM 0 HA LYS A 50 0.608 13.500 10.818 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -1.202 13.789 11.931 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -2.012 12.560 10.979 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -1.021 10.858 12.687 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.690 12.257 13.689 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -3.025 12.809 13.894 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.476 11.783 12.547 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.621 9.774 13.873 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.355 10.842 15.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -4.448 9.697 15.416 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -4.711 11.366 15.251 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -4.969 10.331 13.930 1.00 10.00 H new ATOM 769 N GLU A 51 0.812 10.244 11.334 1.00 10.00 N ATOM 770 CA GLU A 51 1.668 9.150 11.737 1.00 10.00 C ATOM 771 C GLU A 51 2.202 8.470 10.467 1.00 10.00 C ATOM 772 O GLU A 51 3.406 8.403 10.227 1.00 10.00 O ATOM 773 CB GLU A 51 0.834 8.210 12.630 1.00 10.00 C ATOM 774 CG GLU A 51 1.555 7.875 13.939 1.00 10.00 C ATOM 775 CD GLU A 51 2.871 7.157 13.678 1.00 10.00 C ATOM 776 OE1 GLU A 51 2.916 6.444 12.654 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.792 7.356 14.497 1.00 10.00 O ATOM 0 H GLU A 51 -0.089 9.932 10.971 1.00 10.00 H new ATOM 0 HA GLU A 51 2.532 9.476 12.316 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.125 8.678 12.853 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.620 7.289 12.087 1.00 10.00 H new ATOM 0 HG2 GLU A 51 1.743 8.792 14.498 1.00 10.00 H new ATOM 0 HG3 GLU A 51 0.914 7.249 14.560 1.00 10.00 H new ATOM 784 N ALA A 52 1.284 8.022 9.605 1.00 10.00 N ATOM 785 CA ALA A 52 1.613 7.298 8.396 1.00 10.00 C ATOM 786 C ALA A 52 2.247 8.244 7.387 1.00 10.00 C ATOM 787 O ALA A 52 1.796 9.375 7.210 1.00 10.00 O ATOM 788 CB ALA A 52 0.332 6.696 7.827 1.00 10.00 C ATOM 0 H ALA A 52 0.282 8.159 9.738 1.00 10.00 H new ATOM 0 HA ALA A 52 2.325 6.502 8.616 1.00 10.00 H new ATOM 0 HB1 ALA A 52 0.562 6.146 6.914 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -0.107 6.017 8.558 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -0.376 7.494 7.601 1.00 10.00 H new ATOM 794 N SER A 53 3.277 7.753 6.701 1.00 10.00 N ATOM 795 CA SER A 53 3.928 8.457 5.613 1.00 10.00 C ATOM 796 C SER A 53 4.071 7.549 4.400 1.00 10.00 C ATOM 797 O SER A 53 4.336 6.351 4.508 1.00 10.00 O ATOM 798 CB SER A 53 5.283 9.004 6.060 1.00 10.00 C ATOM 799 OG SER A 53 6.056 7.999 6.685 1.00 10.00 O ATOM 0 H SER A 53 3.685 6.838 6.894 1.00 10.00 H new ATOM 0 HA SER A 53 3.306 9.304 5.325 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.822 9.398 5.198 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.134 9.834 6.750 1.00 10.00 H new ATOM 0 HG SER A 53 6.919 8.374 6.960 1.00 10.00 H new ATOM 805 N VAL A 54 3.913 8.165 3.228 1.00 10.00 N ATOM 806 CA VAL A 54 4.067 7.539 1.927 1.00 10.00 C ATOM 807 C VAL A 54 5.330 6.674 1.863 1.00 10.00 C ATOM 808 O VAL A 54 5.288 5.565 1.324 1.00 10.00 O ATOM 809 CB VAL A 54 4.025 8.611 0.820 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.694 9.372 0.875 1.00 10.00 C ATOM 811 CG2 VAL A 54 5.175 9.626 0.890 1.00 10.00 C ATOM 0 H VAL A 54 3.665 9.152 3.163 1.00 10.00 H new ATOM 0 HA VAL A 54 3.231 6.859 1.762 1.00 10.00 H new ATOM 0 HB VAL A 54 4.132 8.069 -0.119 1.00 10.00 H new ATOM 0 HG11 VAL A 54 2.674 10.127 0.089 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.870 8.674 0.729 1.00 10.00 H new ATOM 0 HG13 VAL A 54 2.592 9.856 1.846 1.00 10.00 H new ATOM 0 HG21 VAL A 54 5.074 10.346 0.078 1.00 10.00 H new ATOM 0 HG22 VAL A 54 5.141 10.149 1.846 1.00 10.00 H new ATOM 0 HG23 VAL A 54 6.127 9.104 0.796 1.00 10.00 H new ATOM 821 N SER A 55 6.447 7.177 2.390 1.00 10.00 N ATOM 822 CA SER A 55 7.734 6.511 2.375 1.00 10.00 C ATOM 823 C SER A 55 7.693 5.143 3.055 1.00 10.00 C ATOM 824 O SER A 55 8.274 4.191 2.532 1.00 10.00 O ATOM 825 CB SER A 55 8.760 7.429 3.040 1.00 10.00 C ATOM 826 OG SER A 55 8.625 8.726 2.486 1.00 10.00 O ATOM 0 H SER A 55 6.474 8.087 2.851 1.00 10.00 H new ATOM 0 HA SER A 55 8.017 6.319 1.340 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.600 7.458 4.118 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.769 7.050 2.878 1.00 10.00 H new ATOM 0 HG SER A 55 9.275 9.329 2.903 1.00 10.00 H new ATOM 832 N ASP A 56 7.024 5.035 4.210 1.00 10.00 N ATOM 833 CA ASP A 56 7.058 3.797 4.974 1.00 10.00 C ATOM 834 C ASP A 56 6.424 2.687 4.143 1.00 10.00 C ATOM 835 O ASP A 56 7.030 1.663 3.856 1.00 10.00 O ATOM 836 CB ASP A 56 6.349 3.979 6.320 1.00 10.00 C ATOM 837 CG ASP A 56 6.652 2.822 7.271 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.725 1.668 6.792 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.804 3.116 8.473 1.00 10.00 O ATOM 0 H ASP A 56 6.464 5.780 4.624 1.00 10.00 H new ATOM 0 HA ASP A 56 8.089 3.521 5.193 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.664 4.918 6.775 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.273 4.048 6.160 1.00 10.00 H new ATOM 844 N LEU A 57 5.205 2.922 3.662 1.00 10.00 N ATOM 845 CA LEU A 57 4.493 1.903 2.909 1.00 10.00 C ATOM 846 C LEU A 57 5.179 1.569 1.565 1.00 10.00 C ATOM 847 O LEU A 57 5.230 0.402 1.181 1.00 10.00 O ATOM 848 CB LEU A 57 2.994 2.210 2.878 1.00 10.00 C ATOM 849 CG LEU A 57 2.643 3.600 2.339 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.023 3.462 0.957 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.696 4.397 3.246 1.00 10.00 C ATOM 0 H LEU A 57 4.698 3.799 3.780 1.00 10.00 H new ATOM 0 HA LEU A 57 4.557 0.946 3.428 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.495 1.460 2.265 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.595 2.114 3.888 1.00 10.00 H new ATOM 0 HG LEU A 57 3.576 4.162 2.299 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.772 4.450 0.571 1.00 10.00 H new ATOM 0 HD12 LEU A 57 2.734 2.980 0.286 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.118 2.858 1.023 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.495 5.370 2.797 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.760 3.851 3.364 1.00 10.00 H new ATOM 0 HD23 LEU A 57 2.160 4.537 4.222 1.00 10.00 H new ATOM 863 N LYS A 58 5.771 2.553 0.867 1.00 10.00 N ATOM 864 CA LYS A 58 6.838 2.309 -0.107 1.00 10.00 C ATOM 865 C LYS A 58 7.835 1.239 0.356 1.00 10.00 C ATOM 866 O LYS A 58 7.919 0.196 -0.284 1.00 10.00 O ATOM 867 CB LYS A 58 7.581 3.617 -0.423 1.00 10.00 C ATOM 868 CG LYS A 58 7.601 4.012 -1.892 1.00 10.00 C ATOM 869 CD LYS A 58 6.238 4.272 -2.533 1.00 10.00 C ATOM 870 CE LYS A 58 5.333 5.280 -1.820 1.00 10.00 C ATOM 871 NZ LYS A 58 4.390 4.604 -0.915 1.00 10.00 N ATOM 0 H LYS A 58 5.521 3.537 0.965 1.00 10.00 H new ATOM 0 HA LYS A 58 6.358 1.930 -1.009 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.121 4.424 0.148 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.610 3.525 -0.074 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.208 4.911 -1.998 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.100 3.222 -2.454 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.401 4.620 -3.553 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.706 3.323 -2.601 1.00 10.00 H new ATOM 0 HE2 LYS A 58 5.944 5.983 -1.254 1.00 10.00 H new ATOM 0 HE3 LYS A 58 4.780 5.861 -2.558 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 3.429 4.662 -1.308 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 4.662 3.605 -0.813 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 4.411 5.066 0.017 1.00 10.00 H new ATOM 885 N GLU A 59 8.582 1.491 1.440 1.00 10.00 N ATOM 886 CA GLU A 59 9.545 0.546 1.989 1.00 10.00 C ATOM 887 C GLU A 59 8.872 -0.796 2.208 1.00 10.00 C ATOM 888 O GLU A 59 9.448 -1.848 1.944 1.00 10.00 O ATOM 889 CB GLU A 59 10.085 1.092 3.316 1.00 10.00 C ATOM 890 CG GLU A 59 11.309 0.326 3.839 1.00 10.00 C ATOM 891 CD GLU A 59 11.040 -0.940 4.669 1.00 10.00 C ATOM 892 OE1 GLU A 59 9.866 -1.229 4.998 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.021 -1.645 4.982 1.00 10.00 O ATOM 0 H GLU A 59 8.529 2.367 1.960 1.00 10.00 H new ATOM 0 HA GLU A 59 10.373 0.414 1.293 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.350 2.141 3.187 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.294 1.053 4.065 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.924 0.046 2.984 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.902 1.010 4.447 1.00 10.00 H new ATOM 900 N ALA A 60 7.629 -0.749 2.680 1.00 10.00 N ATOM 901 CA ALA A 60 6.909 -1.937 3.051 1.00 10.00 C ATOM 902 C ALA A 60 6.769 -2.871 1.865 1.00 10.00 C ATOM 903 O ALA A 60 7.185 -4.030 1.924 1.00 10.00 O ATOM 904 CB ALA A 60 5.585 -1.576 3.719 1.00 10.00 C ATOM 0 H ALA A 60 7.105 0.116 2.811 1.00 10.00 H new ATOM 0 HA ALA A 60 7.478 -2.491 3.798 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.055 -2.488 3.992 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.778 -0.986 4.615 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.975 -0.995 3.027 1.00 10.00 H new ATOM 910 N VAL A 61 6.215 -2.343 0.779 1.00 10.00 N ATOM 911 CA VAL A 61 6.133 -3.084 -0.463 1.00 10.00 C ATOM 912 C VAL A 61 7.536 -3.417 -0.997 1.00 10.00 C ATOM 913 O VAL A 61 7.767 -4.549 -1.417 1.00 10.00 O ATOM 914 CB VAL A 61 5.260 -2.313 -1.457 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.170 -3.060 -2.792 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.842 -2.147 -0.898 1.00 10.00 C ATOM 0 H VAL A 61 5.818 -1.404 0.739 1.00 10.00 H new ATOM 0 HA VAL A 61 5.652 -4.047 -0.295 1.00 10.00 H new ATOM 0 HB VAL A 61 5.717 -1.336 -1.615 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.545 -2.495 -3.484 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.169 -3.172 -3.214 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.732 -4.045 -2.629 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.231 -1.597 -1.614 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.402 -3.129 -0.724 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.884 -1.596 0.042 1.00 10.00 H new ATOM 926 N ASP A 62 8.481 -2.469 -0.941 1.00 10.00 N ATOM 927 CA ASP A 62 9.823 -2.668 -1.487 1.00 10.00 C ATOM 928 C ASP A 62 10.466 -3.918 -0.876 1.00 10.00 C ATOM 929 O ASP A 62 10.884 -4.836 -1.579 1.00 10.00 O ATOM 930 CB ASP A 62 10.671 -1.408 -1.269 1.00 10.00 C ATOM 931 CG ASP A 62 11.889 -1.407 -2.180 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.908 -1.994 -1.761 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.774 -0.806 -3.273 1.00 10.00 O ATOM 0 H ASP A 62 8.335 -1.552 -0.519 1.00 10.00 H new ATOM 0 HA ASP A 62 9.759 -2.835 -2.562 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.067 -0.521 -1.462 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.991 -1.356 -0.228 1.00 10.00 H new ATOM 938 N LYS A 63 10.447 -3.984 0.456 1.00 10.00 N ATOM 939 CA LYS A 63 10.953 -5.084 1.259 1.00 10.00 C ATOM 940 C LYS A 63 10.283 -6.403 0.867 1.00 10.00 C ATOM 941 O LYS A 63 10.939 -7.441 0.836 1.00 10.00 O ATOM 942 CB LYS A 63 10.707 -4.755 2.739 1.00 10.00 C ATOM 943 CG LYS A 63 11.514 -5.640 3.701 1.00 10.00 C ATOM 944 CD LYS A 63 12.953 -5.126 3.840 1.00 10.00 C ATOM 945 CE LYS A 63 13.756 -6.017 4.799 1.00 10.00 C ATOM 946 NZ LYS A 63 15.128 -5.507 5.000 1.00 10.00 N ATOM 0 H LYS A 63 10.058 -3.233 1.026 1.00 10.00 H new ATOM 0 HA LYS A 63 12.022 -5.208 1.084 1.00 10.00 H new ATOM 0 HB2 LYS A 63 10.960 -3.710 2.919 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.645 -4.868 2.957 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.033 -5.654 4.679 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.524 -6.667 3.335 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.435 -5.109 2.862 1.00 10.00 H new ATOM 0 HD3 LYS A 63 12.944 -4.101 4.209 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.244 -6.072 5.760 1.00 10.00 H new ATOM 0 HE3 LYS A 63 13.799 -7.031 4.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 15.639 -6.134 5.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 15.625 -5.478 4.087 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 15.087 -4.549 5.402 1.00 10.00 H new ATOM 960 N LEU A 64 8.973 -6.373 0.591 1.00 10.00 N ATOM 961 CA LEU A 64 8.232 -7.515 0.087 1.00 10.00 C ATOM 962 C LEU A 64 8.814 -8.082 -1.218 1.00 10.00 C ATOM 963 O LEU A 64 8.569 -9.248 -1.521 1.00 10.00 O ATOM 964 CB LEU A 64 6.747 -7.140 -0.088 1.00 10.00 C ATOM 965 CG LEU A 64 5.774 -7.753 0.923 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.946 -9.264 1.028 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.886 -7.082 2.294 1.00 10.00 C ATOM 0 H LEU A 64 8.399 -5.539 0.716 1.00 10.00 H new ATOM 0 HA LEU A 64 8.321 -8.310 0.827 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.659 -6.055 -0.035 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.434 -7.437 -1.089 1.00 10.00 H new ATOM 0 HG LEU A 64 4.767 -7.566 0.550 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.238 -9.661 1.755 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.761 -9.720 0.055 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.962 -9.493 1.349 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.180 -7.544 2.984 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.899 -7.203 2.677 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.658 -6.020 2.199 1.00 10.00 H new ATOM 979 N GLY A 65 9.572 -7.289 -1.983 1.00 10.00 N ATOM 980 CA GLY A 65 10.334 -7.762 -3.134 1.00 10.00 C ATOM 981 C GLY A 65 9.753 -7.300 -4.471 1.00 10.00 C ATOM 982 O GLY A 65 10.114 -7.837 -5.515 1.00 10.00 O ATOM 0 H GLY A 65 9.672 -6.288 -1.814 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.362 -7.410 -3.051 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.368 -8.851 -3.117 1.00 10.00 H new ATOM 986 N TYR A 66 8.852 -6.315 -4.454 1.00 10.00 N ATOM 987 CA TYR A 66 8.324 -5.648 -5.636 1.00 10.00 C ATOM 988 C TYR A 66 8.141 -4.185 -5.264 1.00 10.00 C ATOM 989 O TYR A 66 8.139 -3.876 -4.079 1.00 10.00 O ATOM 990 CB TYR A 66 7.025 -6.308 -6.113 1.00 10.00 C ATOM 991 CG TYR A 66 6.057 -6.754 -5.036 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.313 -7.938 -4.322 1.00 10.00 C ATOM 993 CD2 TYR A 66 4.840 -6.074 -4.842 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.380 -8.416 -3.393 1.00 10.00 C ATOM 995 CE2 TYR A 66 3.864 -6.611 -3.988 1.00 10.00 C ATOM 996 CZ TYR A 66 4.138 -7.780 -3.256 1.00 10.00 C ATOM 997 OH TYR A 66 3.198 -8.320 -2.432 1.00 10.00 O ATOM 0 H TYR A 66 8.460 -5.951 -3.586 1.00 10.00 H new ATOM 0 HA TYR A 66 9.009 -5.731 -6.480 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.507 -5.607 -6.768 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.286 -7.176 -6.718 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.232 -8.480 -4.490 1.00 10.00 H new ATOM 0 HD2 TYR A 66 4.657 -5.139 -5.350 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.617 -9.274 -2.782 1.00 10.00 H new ATOM 0 HE2 TYR A 66 2.903 -6.127 -3.893 1.00 10.00 H new ATOM 0 HH TYR A 66 3.210 -9.296 -2.517 1.00 10.00 H new ATOM 1007 N LYS A 67 8.054 -3.275 -6.236 1.00 10.00 N ATOM 1008 CA LYS A 67 8.258 -1.857 -5.964 1.00 10.00 C ATOM 1009 C LYS A 67 6.958 -1.074 -6.121 1.00 10.00 C ATOM 1010 O LYS A 67 6.121 -1.401 -6.964 1.00 10.00 O ATOM 1011 CB LYS A 67 9.403 -1.361 -6.846 1.00 10.00 C ATOM 1012 CG LYS A 67 9.933 0.036 -6.503 1.00 10.00 C ATOM 1013 CD LYS A 67 9.422 1.082 -7.507 1.00 10.00 C ATOM 1014 CE LYS A 67 10.161 2.419 -7.367 1.00 10.00 C ATOM 1015 NZ LYS A 67 11.615 2.277 -7.600 1.00 10.00 N ATOM 0 H LYS A 67 7.845 -3.495 -7.210 1.00 10.00 H new ATOM 0 HA LYS A 67 8.549 -1.696 -4.926 1.00 10.00 H new ATOM 0 HB2 LYS A 67 10.227 -2.071 -6.778 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.067 -1.360 -7.883 1.00 10.00 H new ATOM 0 HG2 LYS A 67 9.620 0.310 -5.496 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.023 0.026 -6.506 1.00 10.00 H new ATOM 0 HD2 LYS A 67 9.547 0.703 -8.521 1.00 10.00 H new ATOM 0 HD3 LYS A 67 8.354 1.240 -7.355 1.00 10.00 H new ATOM 0 HE2 LYS A 67 9.749 3.137 -8.076 1.00 10.00 H new ATOM 0 HE3 LYS A 67 9.992 2.824 -6.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 12.022 3.206 -7.832 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.069 1.904 -6.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.777 1.621 -8.390 1.00 10.00 H new ATOM 1029 N LEU A 68 6.792 -0.055 -5.268 1.00 10.00 N ATOM 1030 CA LEU A 68 5.579 0.720 -5.124 1.00 10.00 C ATOM 1031 C LEU A 68 5.908 2.178 -5.405 1.00 10.00 C ATOM 1032 O LEU A 68 6.996 2.640 -5.057 1.00 10.00 O ATOM 1033 CB LEU A 68 5.117 0.575 -3.671 1.00 10.00 C ATOM 1034 CG LEU A 68 3.757 1.231 -3.409 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.657 0.381 -4.033 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.453 1.408 -1.928 1.00 10.00 C ATOM 0 H LEU A 68 7.535 0.254 -4.641 1.00 10.00 H new ATOM 0 HA LEU A 68 4.802 0.381 -5.809 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.059 -0.484 -3.418 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.862 1.020 -3.012 1.00 10.00 H new ATOM 0 HG LEU A 68 3.796 2.224 -3.857 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.689 0.846 -3.848 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.823 0.303 -5.108 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.672 -0.615 -3.591 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.476 1.878 -1.811 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.449 0.434 -1.439 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.216 2.039 -1.473 1.00 10.00 H new ATOM 1048 N LYS A 69 4.946 2.918 -5.954 1.00 10.00 N ATOM 1049 CA LYS A 69 4.978 4.353 -6.107 1.00 10.00 C ATOM 1050 C LYS A 69 3.575 4.921 -6.031 1.00 10.00 C ATOM 1051 O LYS A 69 2.657 4.313 -6.558 1.00 10.00 O ATOM 1052 CB LYS A 69 5.645 4.730 -7.427 1.00 10.00 C ATOM 1053 CG LYS A 69 7.171 4.788 -7.309 1.00 10.00 C ATOM 1054 CD LYS A 69 7.610 5.646 -6.106 1.00 10.00 C ATOM 1055 CE LYS A 69 8.911 6.391 -6.447 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.306 7.359 -5.402 1.00 10.00 N ATOM 0 H LYS A 69 4.088 2.504 -6.318 1.00 10.00 H new ATOM 0 HA LYS A 69 5.564 4.780 -5.294 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.369 4.004 -8.192 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.271 5.699 -7.757 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.568 3.778 -7.202 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.593 5.201 -8.225 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.827 6.360 -5.851 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.761 5.013 -5.231 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.713 5.667 -6.587 1.00 10.00 H new ATOM 0 HE3 LYS A 69 8.786 6.916 -7.394 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.188 7.832 -5.683 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.555 8.069 -5.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.453 6.858 -4.503 1.00 10.00 H new ATOM 1070 N LEU A 70 3.413 6.063 -5.355 1.00 10.00 N ATOM 1071 CA LEU A 70 2.139 6.749 -5.237 1.00 10.00 C ATOM 1072 C LEU A 70 1.799 7.376 -6.579 1.00 10.00 C ATOM 1073 O LEU A 70 2.685 7.650 -7.388 1.00 10.00 O ATOM 1074 CB LEU A 70 2.247 7.827 -4.154 1.00 10.00 C ATOM 1075 CG LEU A 70 0.966 8.187 -3.383 1.00 10.00 C ATOM 1076 CD1 LEU A 70 1.386 8.886 -2.092 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.037 9.138 -4.133 1.00 10.00 C ATOM 0 H LEU A 70 4.177 6.536 -4.872 1.00 10.00 H new ATOM 0 HA LEU A 70 1.352 6.049 -4.957 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.996 7.504 -3.431 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.626 8.736 -4.621 1.00 10.00 H new ATOM 0 HG LEU A 70 0.418 7.259 -3.222 1.00 10.00 H new ATOM 0 HD11 LEU A 70 0.499 9.156 -1.519 1.00 10.00 H new ATOM 0 HD12 LEU A 70 2.009 8.215 -1.501 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.950 9.787 -2.333 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.843 9.343 -3.523 1.00 10.00 H new ATOM 0 HD22 LEU A 70 0.561 10.071 -4.339 1.00 10.00 H new ATOM 0 HD23 LEU A 70 -0.271 8.680 -5.073 1.00 10.00 H new ATOM 1089 N LYS A 71 0.513 7.620 -6.776 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.052 8.253 -7.942 1.00 10.00 C ATOM 1091 C LYS A 71 -0.791 9.511 -7.490 1.00 10.00 C ATOM 1092 O LYS A 71 -0.392 10.621 -7.831 1.00 10.00 O ATOM 1093 CB LYS A 71 -0.952 7.229 -8.639 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.810 7.936 -9.682 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.325 6.950 -10.735 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.081 7.713 -11.832 1.00 10.00 C ATOM 1097 NZ LYS A 71 -3.516 6.816 -12.921 1.00 10.00 N ATOM 0 H LYS A 71 -0.195 7.366 -6.087 1.00 10.00 H new ATOM 0 HA LYS A 71 0.703 8.568 -8.663 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.345 6.458 -9.113 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.587 6.729 -7.908 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.653 8.424 -9.193 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.227 8.719 -10.167 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.491 6.399 -11.170 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.983 6.216 -10.269 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.950 8.207 -11.398 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -2.440 8.495 -12.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -4.023 7.367 -13.643 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.684 6.364 -13.351 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -4.148 6.085 -12.537 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.860 9.334 -6.715 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.571 10.442 -6.100 1.00 10.00 C ATOM 1113 C GLY A 72 -3.482 9.928 -4.994 1.00 10.00 C ATOM 1114 O GLY A 72 -3.170 10.079 -3.817 1.00 10.00 O ATOM 0 H GLY A 72 -2.253 8.418 -6.499 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.859 11.159 -5.692 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.159 10.969 -6.851 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.588 9.296 -5.383 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.728 8.990 -4.534 1.00 10.00 C ATOM 1120 C GLU A 73 -6.684 8.147 -5.376 1.00 10.00 C ATOM 1121 O GLU A 73 -6.485 8.052 -6.589 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.390 10.286 -4.036 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.755 11.253 -5.173 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.398 12.519 -4.627 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.532 12.401 -4.115 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.736 13.575 -4.723 1.00 10.00 O ATOM 0 H GLU A 73 -4.715 8.971 -6.341 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.429 8.439 -3.642 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -7.292 10.035 -3.478 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.715 10.788 -3.343 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.859 11.510 -5.738 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.439 10.763 -5.866 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.681 7.523 -4.742 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.637 6.690 -5.459 1.00 10.00 C ATOM 1135 C GLN A 74 -9.717 7.552 -6.107 1.00 10.00 C ATOM 1136 O GLN A 74 -10.044 8.624 -5.600 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.235 5.595 -4.556 1.00 10.00 C ATOM 1138 CG GLN A 74 -10.096 6.109 -3.395 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.864 4.969 -2.725 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -10.384 4.319 -1.795 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -12.099 4.736 -3.159 1.00 10.00 N ATOM 0 H GLN A 74 -7.843 7.582 -3.737 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.102 6.172 -6.255 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.841 4.929 -5.171 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -8.420 4.998 -4.147 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.461 6.604 -2.660 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.799 6.856 -3.764 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -12.480 5.284 -3.930 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -12.665 4.009 -2.721 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.297 7.040 -7.195 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.371 7.669 -7.940 1.00 10.00 C ATOM 1152 C ASP A 75 -10.829 8.934 -8.618 1.00 10.00 C ATOM 1153 O ASP A 75 -9.628 9.062 -8.848 1.00 10.00 O ATOM 1154 CB ASP A 75 -12.587 7.890 -7.018 1.00 10.00 C ATOM 1155 CG ASP A 75 -13.914 7.846 -7.760 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -14.097 8.717 -8.637 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -14.717 6.946 -7.439 1.00 10.00 O ATOM 0 H ASP A 75 -10.015 6.143 -7.589 1.00 10.00 H new ATOM 0 HA ASP A 75 -11.737 7.029 -8.743 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -12.588 7.128 -6.239 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.488 8.855 -6.520 1.00 10.00 H new ATOM 1162 N SER A 76 -11.714 9.857 -8.970 1.00 10.00 N ATOM 1163 CA SER A 76 -11.384 11.143 -9.558 1.00 10.00 C ATOM 1164 C SER A 76 -12.488 12.130 -9.175 1.00 10.00 C ATOM 1165 O SER A 76 -13.337 12.478 -9.994 1.00 10.00 O ATOM 1166 CB SER A 76 -11.202 10.983 -11.076 1.00 10.00 C ATOM 1167 OG SER A 76 -10.580 12.118 -11.648 1.00 10.00 O ATOM 0 H SER A 76 -12.718 9.723 -8.848 1.00 10.00 H new ATOM 0 HA SER A 76 -10.440 11.535 -9.180 1.00 10.00 H new ATOM 0 HB2 SER A 76 -10.601 10.097 -11.280 1.00 10.00 H new ATOM 0 HB3 SER A 76 -12.173 10.824 -11.545 1.00 10.00 H new ATOM 0 HG SER A 76 -10.478 11.983 -12.613 1.00 10.00 H new ATOM 1173 N ILE A 77 -12.489 12.544 -7.904 1.00 10.00 N ATOM 1174 CA ILE A 77 -13.442 13.495 -7.352 1.00 10.00 C ATOM 1175 C ILE A 77 -12.753 14.861 -7.208 1.00 10.00 C ATOM 1176 O ILE A 77 -11.912 15.204 -8.035 1.00 10.00 O ATOM 1177 CB ILE A 77 -14.038 12.917 -6.053 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -12.968 12.675 -4.970 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -14.786 11.609 -6.352 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -13.557 12.843 -3.567 1.00 10.00 C ATOM 0 H ILE A 77 -11.808 12.216 -7.219 1.00 10.00 H new ATOM 0 HA ILE A 77 -14.293 13.661 -8.013 1.00 10.00 H new ATOM 0 HB ILE A 77 -14.734 13.659 -5.661 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -12.557 11.671 -5.078 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -12.142 13.373 -5.107 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -15.203 11.209 -5.428 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -15.592 11.804 -7.059 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -14.094 10.884 -6.781 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -12.780 12.667 -2.823 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -13.945 13.855 -3.454 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -14.366 12.127 -3.424 1.00 10.00 H new ATOM 1192 N GLU A 78 -13.093 15.634 -6.169 1.00 10.00 N ATOM 1193 CA GLU A 78 -12.563 16.974 -5.934 1.00 10.00 C ATOM 1194 C GLU A 78 -12.555 17.261 -4.428 1.00 10.00 C ATOM 1195 O GLU A 78 -11.528 17.615 -3.855 1.00 10.00 O ATOM 1196 CB GLU A 78 -13.417 18.010 -6.695 1.00 10.00 C ATOM 1197 CG GLU A 78 -12.586 19.139 -7.333 1.00 10.00 C ATOM 1198 CD GLU A 78 -12.576 19.067 -8.858 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -13.688 19.019 -9.427 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -11.463 19.100 -9.425 1.00 10.00 O ATOM 0 H GLU A 78 -13.758 15.335 -5.456 1.00 10.00 H new ATOM 0 HA GLU A 78 -11.539 17.041 -6.303 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -13.983 17.501 -7.475 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -14.142 18.447 -6.008 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -12.988 20.103 -7.021 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -11.562 19.086 -6.963 1.00 10.00 H new ATOM 1207 N GLY A 79 -13.716 17.107 -3.781 1.00 10.00 N ATOM 1208 CA GLY A 79 -13.899 17.370 -2.364 1.00 10.00 C ATOM 1209 C GLY A 79 -15.250 16.813 -1.922 1.00 10.00 C ATOM 1210 O GLY A 79 -15.761 15.896 -2.565 1.00 10.00 O ATOM 0 H GLY A 79 -14.567 16.789 -4.245 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -13.096 16.908 -1.789 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -13.853 18.442 -2.172 1.00 10.00 H new ATOM 1214 N ARG A 80 -15.812 17.349 -0.832 1.00 10.00 N ATOM 1215 CA ARG A 80 -17.011 16.840 -0.182 1.00 10.00 C ATOM 1216 C ARG A 80 -18.047 17.955 -0.042 1.00 10.00 C ATOM 1217 O ARG A 80 -17.619 19.128 -0.051 1.00 10.00 O ATOM 1218 CB ARG A 80 -16.618 16.280 1.195 1.00 10.00 C ATOM 1219 CG ARG A 80 -17.802 15.801 2.045 1.00 10.00 C ATOM 1220 CD ARG A 80 -18.649 14.747 1.318 1.00 10.00 C ATOM 1221 NE ARG A 80 -19.835 14.381 2.100 1.00 10.00 N ATOM 1222 CZ ARG A 80 -20.962 15.111 2.169 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -21.063 16.287 1.537 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -21.994 14.646 2.885 1.00 10.00 N ATOM 1225 OXT ARG A 80 -19.241 17.604 0.119 1.00 10.00 O ATOM 0 H ARG A 80 -15.428 18.173 -0.369 1.00 10.00 H new ATOM 0 HA ARG A 80 -17.457 16.047 -0.782 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -15.929 15.448 1.052 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -16.078 17.050 1.746 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -17.430 15.383 2.981 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -18.430 16.654 2.304 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -18.957 15.133 0.346 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -18.046 13.858 1.132 1.00 10.00 H new ATOM 0 HE ARG A 80 -19.802 13.510 2.630 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -20.277 16.642 0.992 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -21.926 16.828 1.600 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -21.918 13.751 3.368 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -22.856 15.187 2.948 1.00 10.00 H new TER 1239 ARG A 80