USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 667 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 53 HIS : no HE2:sc= 1.02 K(o=3.1,f=-4.6!) USER MOD Set 1.2: A 86 THR OG1 : rot -41:sc= 2.05 USER MOD Set 2.1: A 14 THR OG1 : rot 170:sc= -0.101 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc=-0.000573 K(o=-0.00057,f=-0.96) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 32 ASN : amide:sc= -1.59! C(o=-1.6!,f=-4.5!) USER MOD Single : A 36 CYS SG : rot -20:sc= 0.00996 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.6! C(o=-2.6!,f=-13!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -159:sc= -2.47! USER MOD Single : A 68 HIS : no HD1:sc= -0.464 X(o=-0.46,f=-0.031) USER MOD Single : A 70 LYS NZ :NH3+ 134:sc= 1.3 (180deg=0.972) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.018) USER MOD Single : A 84 MET CE :methyl -162:sc= -1.62 (180deg=-2.82!) USER MOD Single : A 87 MET CE :methyl 162:sc= -0.0709 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 19.697 -1.073 11.844 1.00 0.00 N ATOM 2 CA GLU A 7 18.644 -2.060 12.044 1.00 0.00 C ATOM 3 C GLU A 7 17.676 -1.968 10.897 1.00 0.00 C ATOM 4 O GLU A 7 17.705 -0.975 10.157 1.00 0.00 O ATOM 5 CB GLU A 7 17.908 -1.875 13.407 1.00 0.00 C ATOM 6 CG GLU A 7 17.135 -0.558 13.589 1.00 0.00 C ATOM 7 CD GLU A 7 18.023 0.651 13.558 1.00 0.00 C ATOM 8 OE1 GLU A 7 18.617 0.993 14.588 1.00 0.00 O ATOM 9 OE2 GLU A 7 18.193 1.249 12.467 1.00 0.00 O ATOM 0 HA GLU A 7 19.098 -3.051 12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.210 -2.702 13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.644 -1.953 14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.385 -0.472 12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 7 16.600 -0.585 14.538 1.00 0.00 H new ATOM 16 N THR A 8 16.840 -2.990 10.746 1.00 0.00 N ATOM 17 CA THR A 8 15.864 -3.074 9.686 1.00 0.00 C ATOM 18 C THR A 8 16.568 -3.075 8.314 1.00 0.00 C ATOM 19 O THR A 8 16.678 -2.042 7.626 1.00 0.00 O ATOM 20 CB THR A 8 14.830 -1.936 9.812 1.00 0.00 C ATOM 21 OG1 THR A 8 14.346 -1.909 11.176 1.00 0.00 O ATOM 22 CG2 THR A 8 13.658 -2.172 8.891 1.00 0.00 C ATOM 0 H THR A 8 16.828 -3.794 11.373 1.00 0.00 H new ATOM 0 HA THR A 8 15.318 -4.013 9.773 1.00 0.00 H new ATOM 0 HB THR A 8 15.305 -0.993 9.542 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.688 -1.190 11.275 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.942 -1.357 8.997 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.009 -2.215 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.176 -3.115 9.150 1.00 0.00 H new ATOM 30 N MET A 9 17.119 -4.216 7.976 1.00 0.00 N ATOM 31 CA MET A 9 17.915 -4.365 6.772 1.00 0.00 C ATOM 32 C MET A 9 17.295 -5.392 5.841 1.00 0.00 C ATOM 33 O MET A 9 16.749 -6.403 6.295 1.00 0.00 O ATOM 34 CB MET A 9 19.318 -4.883 7.134 1.00 0.00 C ATOM 35 CG MET A 9 20.066 -4.091 8.193 1.00 0.00 C ATOM 36 SD MET A 9 21.640 -4.867 8.630 1.00 0.00 S ATOM 37 CE MET A 9 22.179 -3.820 9.977 1.00 0.00 C ATOM 0 H MET A 9 17.031 -5.071 8.526 1.00 0.00 H new ATOM 0 HA MET A 9 17.963 -3.390 6.288 1.00 0.00 H new ATOM 0 HB2 MET A 9 19.226 -5.914 7.476 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.922 -4.901 6.227 1.00 0.00 H new ATOM 0 HG2 MET A 9 20.249 -3.080 7.829 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.446 -4.001 9.085 1.00 0.00 H new ATOM 0 HE1 MET A 9 23.139 -4.175 10.352 1.00 0.00 H new ATOM 0 HE2 MET A 9 22.284 -2.795 9.621 1.00 0.00 H new ATOM 0 HE3 MET A 9 21.442 -3.852 10.780 1.00 0.00 H new ATOM 47 N GLY A 10 17.352 -5.123 4.563 1.00 0.00 N ATOM 48 CA GLY A 10 17.012 -6.115 3.588 1.00 0.00 C ATOM 49 C GLY A 10 15.608 -6.039 3.103 1.00 0.00 C ATOM 50 O GLY A 10 15.151 -4.995 2.628 1.00 0.00 O ATOM 0 H GLY A 10 17.632 -4.222 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 10 17.684 -6.016 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.183 -7.103 4.016 1.00 0.00 H new ATOM 54 N ASN A 11 14.919 -7.132 3.205 1.00 0.00 N ATOM 55 CA ASN A 11 13.574 -7.209 2.716 1.00 0.00 C ATOM 56 C ASN A 11 12.600 -6.975 3.821 1.00 0.00 C ATOM 57 O ASN A 11 12.214 -7.891 4.536 1.00 0.00 O ATOM 58 CB ASN A 11 13.289 -8.528 1.983 1.00 0.00 C ATOM 59 CG ASN A 11 14.086 -8.676 0.698 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.443 -7.689 0.049 1.00 0.00 O ATOM 61 ND2 ASN A 11 14.360 -9.886 0.309 1.00 0.00 N ATOM 0 H ASN A 11 15.268 -7.993 3.627 1.00 0.00 H new ATOM 0 HA ASN A 11 13.452 -6.417 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 11 13.519 -9.363 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 11 12.225 -8.587 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.883 -10.038 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.052 -10.683 0.866 1.00 0.00 H new ATOM 68 N VAL A 12 12.236 -5.742 3.971 1.00 0.00 N ATOM 69 CA VAL A 12 11.342 -5.314 4.976 1.00 0.00 C ATOM 70 C VAL A 12 10.259 -4.506 4.334 1.00 0.00 C ATOM 71 O VAL A 12 10.507 -3.570 3.565 1.00 0.00 O ATOM 72 CB VAL A 12 12.026 -4.495 6.108 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.986 -3.862 7.019 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.923 -5.377 6.952 1.00 0.00 C ATOM 0 H VAL A 12 12.569 -4.986 3.372 1.00 0.00 H new ATOM 0 HA VAL A 12 10.935 -6.203 5.458 1.00 0.00 H new ATOM 0 HB VAL A 12 12.622 -3.719 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.487 -3.294 7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.351 -3.195 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.374 -4.643 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.388 -4.779 7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.330 -6.171 7.406 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.697 -5.817 6.323 1.00 0.00 H new ATOM 84 N THR A 13 9.106 -4.901 4.614 1.00 0.00 N ATOM 85 CA THR A 13 7.932 -4.336 4.133 1.00 0.00 C ATOM 86 C THR A 13 7.155 -3.816 5.318 1.00 0.00 C ATOM 87 O THR A 13 6.625 -4.593 6.135 1.00 0.00 O ATOM 88 CB THR A 13 7.154 -5.433 3.424 1.00 0.00 C ATOM 89 OG1 THR A 13 7.864 -5.907 2.269 1.00 0.00 O ATOM 90 CG2 THR A 13 5.750 -5.024 3.079 1.00 0.00 C ATOM 0 H THR A 13 8.938 -5.692 5.236 1.00 0.00 H new ATOM 0 HA THR A 13 8.121 -3.517 3.439 1.00 0.00 H new ATOM 0 HB THR A 13 7.065 -6.259 4.130 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.343 -6.613 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.245 -5.848 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.210 -4.771 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.775 -4.156 2.420 1.00 0.00 H new ATOM 98 N THR A 14 7.132 -2.549 5.445 1.00 0.00 N ATOM 99 CA THR A 14 6.464 -1.931 6.510 1.00 0.00 C ATOM 100 C THR A 14 4.962 -1.891 6.226 1.00 0.00 C ATOM 101 O THR A 14 4.525 -1.682 5.076 1.00 0.00 O ATOM 102 CB THR A 14 7.017 -0.534 6.701 1.00 0.00 C ATOM 103 OG1 THR A 14 8.457 -0.615 6.793 1.00 0.00 O ATOM 104 CG2 THR A 14 6.468 0.111 7.964 1.00 0.00 C ATOM 0 H THR A 14 7.586 -1.903 4.799 1.00 0.00 H new ATOM 0 HA THR A 14 6.621 -2.499 7.427 1.00 0.00 H new ATOM 0 HB THR A 14 6.718 0.079 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.838 0.287 6.755 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.885 1.113 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.382 0.175 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.744 -0.491 8.830 1.00 0.00 H new ATOM 112 N VAL A 15 4.200 -2.117 7.244 1.00 0.00 N ATOM 113 CA VAL A 15 2.786 -2.153 7.165 1.00 0.00 C ATOM 114 C VAL A 15 2.218 -1.154 8.097 1.00 0.00 C ATOM 115 O VAL A 15 2.707 -0.996 9.220 1.00 0.00 O ATOM 116 CB VAL A 15 2.251 -3.550 7.535 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.743 -3.526 7.738 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.600 -4.541 6.453 1.00 0.00 C ATOM 0 H VAL A 15 4.561 -2.287 8.183 1.00 0.00 H new ATOM 0 HA VAL A 15 2.491 -1.925 6.141 1.00 0.00 H new ATOM 0 HB VAL A 15 2.720 -3.851 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.395 -4.526 7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.495 -2.835 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.257 -3.200 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.218 -5.525 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.152 -4.224 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.683 -4.591 6.341 1.00 0.00 H new ATOM 128 N LEU A 16 1.242 -0.447 7.643 1.00 0.00 N ATOM 129 CA LEU A 16 0.552 0.423 8.489 1.00 0.00 C ATOM 130 C LEU A 16 -0.865 -0.032 8.622 1.00 0.00 C ATOM 131 O LEU A 16 -1.625 -0.045 7.654 1.00 0.00 O ATOM 132 CB LEU A 16 0.562 1.846 8.013 1.00 0.00 C ATOM 133 CG LEU A 16 -0.102 2.791 8.991 1.00 0.00 C ATOM 134 CD1 LEU A 16 0.742 2.986 10.223 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.420 4.079 8.359 1.00 0.00 C ATOM 0 H LEU A 16 0.912 -0.465 6.678 1.00 0.00 H new ATOM 0 HA LEU A 16 1.067 0.399 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.592 2.163 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.053 1.907 7.051 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.041 2.333 9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.237 3.670 10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.892 2.026 10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.708 3.403 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.896 4.735 9.088 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.498 4.543 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.098 3.916 7.521 1.00 0.00 H new ATOM 147 N ILE A 17 -1.207 -0.390 9.787 1.00 0.00 N ATOM 148 CA ILE A 17 -2.533 -0.763 10.110 1.00 0.00 C ATOM 149 C ILE A 17 -3.175 0.422 10.732 1.00 0.00 C ATOM 150 O ILE A 17 -2.558 1.095 11.537 1.00 0.00 O ATOM 151 CB ILE A 17 -2.546 -1.985 11.106 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.755 -3.281 10.356 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.633 -1.854 12.174 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.153 -3.372 9.808 1.00 0.00 C ATOM 0 H ILE A 17 -0.560 -0.437 10.574 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.073 -1.075 9.216 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.575 -1.989 11.602 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.036 -3.352 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.566 -4.124 11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.600 -2.720 12.835 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.464 -0.948 12.755 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.610 -1.801 11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.274 -4.314 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.869 -3.326 10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.330 -2.542 9.124 1.00 0.00 H new ATOM 166 N ARG A 18 -4.335 0.763 10.275 1.00 0.00 N ATOM 167 CA ARG A 18 -5.070 1.767 10.933 1.00 0.00 C ATOM 168 C ARG A 18 -6.311 1.170 11.481 1.00 0.00 C ATOM 169 O ARG A 18 -7.286 0.903 10.773 1.00 0.00 O ATOM 170 CB ARG A 18 -5.290 2.968 10.050 1.00 0.00 C ATOM 171 CG ARG A 18 -3.987 3.696 9.807 1.00 0.00 C ATOM 172 CD ARG A 18 -4.152 4.871 8.912 1.00 0.00 C ATOM 173 NE ARG A 18 -5.101 5.847 9.429 1.00 0.00 N ATOM 174 CZ ARG A 18 -6.033 6.464 8.687 1.00 0.00 C ATOM 175 NH1 ARG A 18 -6.128 6.208 7.382 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.852 7.339 9.236 1.00 0.00 N ATOM 0 H ARG A 18 -4.784 0.358 9.453 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.502 2.160 11.776 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.720 2.653 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.008 3.642 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.574 4.025 10.761 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.266 3.007 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.184 5.352 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.486 4.531 7.932 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.054 6.077 10.422 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.491 5.542 6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.838 6.679 6.820 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.780 7.551 10.231 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.558 7.804 8.666 1.00 0.00 H new ATOM 190 N ARG A 19 -6.239 0.935 12.732 1.00 0.00 N ATOM 191 CA ARG A 19 -7.260 0.265 13.474 1.00 0.00 C ATOM 192 C ARG A 19 -8.134 1.247 14.257 1.00 0.00 C ATOM 193 O ARG A 19 -7.638 1.981 15.105 1.00 0.00 O ATOM 194 CB ARG A 19 -6.588 -0.720 14.413 1.00 0.00 C ATOM 195 CG ARG A 19 -7.527 -1.506 15.281 1.00 0.00 C ATOM 196 CD ARG A 19 -6.773 -2.541 16.072 1.00 0.00 C ATOM 197 NE ARG A 19 -7.661 -3.410 16.814 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.267 -4.485 17.483 1.00 0.00 C ATOM 199 NH1 ARG A 19 -5.997 -4.609 17.810 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.158 -5.392 17.891 1.00 0.00 N ATOM 0 H ARG A 19 -5.439 1.211 13.302 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.922 -0.257 12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.994 -1.417 13.821 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.895 -0.174 15.053 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.053 -0.834 15.959 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.282 -1.991 14.663 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.162 -3.139 15.396 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.092 -2.044 16.763 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.655 -3.181 16.823 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.330 -3.883 17.549 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.681 -5.431 18.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.149 -5.260 17.689 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.848 -6.216 18.405 1.00 0.00 H new ATOM 214 N PRO A 20 -9.439 1.277 13.974 1.00 0.00 N ATOM 215 CA PRO A 20 -10.395 2.143 14.690 1.00 0.00 C ATOM 216 C PRO A 20 -10.453 1.853 16.206 1.00 0.00 C ATOM 217 O PRO A 20 -10.362 2.769 17.022 1.00 0.00 O ATOM 218 CB PRO A 20 -11.735 1.795 14.044 1.00 0.00 C ATOM 219 CG PRO A 20 -11.385 1.264 12.703 1.00 0.00 C ATOM 220 CD PRO A 20 -10.097 0.527 12.883 1.00 0.00 C ATOM 0 HA PRO A 20 -10.116 3.194 14.613 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.277 1.055 14.633 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.376 2.673 13.966 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.166 0.602 12.328 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.276 2.071 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.262 -0.516 13.152 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.499 0.530 11.972 1.00 0.00 H new ATOM 228 N ASP A 21 -10.578 0.582 16.564 1.00 0.00 N ATOM 229 CA ASP A 21 -10.701 0.159 17.961 1.00 0.00 C ATOM 230 C ASP A 21 -10.477 -1.346 18.061 1.00 0.00 C ATOM 231 O ASP A 21 -10.178 -2.000 17.044 1.00 0.00 O ATOM 232 CB ASP A 21 -12.065 0.561 18.594 1.00 0.00 C ATOM 233 CG ASP A 21 -13.278 -0.100 17.977 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.478 -1.313 18.183 1.00 0.00 O ATOM 235 OD2 ASP A 21 -14.092 0.603 17.336 1.00 0.00 O ATOM 0 H ASP A 21 -10.597 -0.189 15.897 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.934 0.682 18.533 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.040 0.320 19.657 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.180 1.642 18.515 1.00 0.00 H new ATOM 240 N LEU A 22 -10.653 -1.904 19.253 1.00 0.00 N ATOM 241 CA LEU A 22 -10.333 -3.297 19.530 1.00 0.00 C ATOM 242 C LEU A 22 -11.290 -4.297 18.949 1.00 0.00 C ATOM 243 O LEU A 22 -10.991 -5.495 18.917 1.00 0.00 O ATOM 244 CB LEU A 22 -10.137 -3.528 21.011 1.00 0.00 C ATOM 245 CG LEU A 22 -8.965 -2.778 21.609 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.770 -3.167 23.039 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.721 -3.039 20.794 1.00 0.00 C ATOM 0 H LEU A 22 -11.024 -1.399 20.058 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.392 -3.475 19.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.046 -3.236 21.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.998 -4.595 21.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.173 -1.708 21.584 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.924 -2.619 23.453 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.670 -2.929 23.607 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.574 -4.237 23.101 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.881 -2.497 21.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.503 -4.107 20.794 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.880 -2.702 19.770 1.00 0.00 H new ATOM 259 N ARG A 23 -12.404 -3.845 18.475 1.00 0.00 N ATOM 260 CA ARG A 23 -13.356 -4.744 17.857 1.00 0.00 C ATOM 261 C ARG A 23 -13.048 -4.935 16.399 1.00 0.00 C ATOM 262 O ARG A 23 -13.555 -5.853 15.741 1.00 0.00 O ATOM 263 CB ARG A 23 -14.802 -4.356 18.135 1.00 0.00 C ATOM 264 CG ARG A 23 -15.154 -4.614 19.576 1.00 0.00 C ATOM 265 CD ARG A 23 -16.605 -4.374 19.903 1.00 0.00 C ATOM 266 NE ARG A 23 -16.890 -4.848 21.265 1.00 0.00 N ATOM 267 CZ ARG A 23 -18.104 -5.014 21.798 1.00 0.00 C ATOM 268 NH1 ARG A 23 -19.186 -4.551 21.172 1.00 0.00 N ATOM 269 NH2 ARG A 23 -18.219 -5.606 22.986 1.00 0.00 N ATOM 0 H ARG A 23 -12.688 -2.866 18.497 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.242 -5.720 18.328 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.952 -3.302 17.902 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.468 -4.924 17.485 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.902 -5.646 19.822 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.539 -3.976 20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.835 -3.312 19.821 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.240 -4.894 19.186 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.089 -5.070 21.856 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -19.091 -4.066 20.280 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.109 -4.682 21.585 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.386 -5.927 23.479 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.140 -5.738 23.403 1.00 0.00 H new ATOM 283 N TYR A 24 -12.180 -4.095 15.906 1.00 0.00 N ATOM 284 CA TYR A 24 -11.692 -4.230 14.572 1.00 0.00 C ATOM 285 C TYR A 24 -10.402 -4.933 14.670 1.00 0.00 C ATOM 286 O TYR A 24 -9.380 -4.313 14.887 1.00 0.00 O ATOM 287 CB TYR A 24 -11.480 -2.886 13.886 1.00 0.00 C ATOM 288 CG TYR A 24 -12.731 -2.154 13.529 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.443 -1.450 14.480 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.195 -2.158 12.223 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.579 -0.767 14.144 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.331 -1.471 11.875 1.00 0.00 C ATOM 293 CZ TYR A 24 -15.024 -0.779 12.846 1.00 0.00 C ATOM 294 OH TYR A 24 -16.159 -0.071 12.516 1.00 0.00 O ATOM 0 H TYR A 24 -11.796 -3.302 16.420 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.424 -4.772 13.973 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.880 -2.252 14.540 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.899 -3.047 12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.098 -1.439 15.503 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.655 -2.710 11.468 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.125 -0.220 14.898 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.678 -1.472 10.852 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.344 -0.177 11.560 1.00 0.00 H new ATOM 304 N GLN A 25 -10.444 -6.217 14.613 1.00 0.00 N ATOM 305 CA GLN A 25 -9.257 -6.975 14.746 1.00 0.00 C ATOM 306 C GLN A 25 -8.476 -6.939 13.465 1.00 0.00 C ATOM 307 O GLN A 25 -9.037 -6.625 12.408 1.00 0.00 O ATOM 308 CB GLN A 25 -9.545 -8.381 15.242 1.00 0.00 C ATOM 309 CG GLN A 25 -10.139 -8.378 16.644 1.00 0.00 C ATOM 310 CD GLN A 25 -10.345 -9.755 17.206 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.403 -10.355 17.039 1.00 0.00 O ATOM 312 NE2 GLN A 25 -9.357 -10.257 17.887 1.00 0.00 N ATOM 0 H GLN A 25 -11.293 -6.764 14.474 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.629 -6.523 15.513 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.235 -8.874 14.557 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.623 -8.963 15.239 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.482 -7.817 17.308 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.095 -7.854 16.625 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.494 -9.725 18.002 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.445 -11.183 18.306 1.00 0.00 H new ATOM 321 N LEU A 26 -7.209 -7.278 13.577 1.00 0.00 N ATOM 322 CA LEU A 26 -6.199 -7.151 12.523 1.00 0.00 C ATOM 323 C LEU A 26 -6.717 -7.668 11.186 1.00 0.00 C ATOM 324 O LEU A 26 -6.619 -6.988 10.168 1.00 0.00 O ATOM 325 CB LEU A 26 -4.899 -7.916 12.908 1.00 0.00 C ATOM 326 CG LEU A 26 -4.206 -7.612 14.279 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.005 -6.125 14.525 1.00 0.00 C ATOM 328 CD2 LEU A 26 -4.900 -8.292 15.468 1.00 0.00 C ATOM 0 H LEU A 26 -6.828 -7.668 14.439 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.974 -6.089 12.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.128 -8.981 12.886 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.166 -7.731 12.123 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.214 -8.056 14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.521 -5.978 15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.378 -5.707 13.737 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.972 -5.622 14.524 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.372 -8.042 16.389 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.931 -7.944 15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.890 -9.373 15.326 1.00 0.00 H new ATOM 340 N GLY A 27 -7.286 -8.844 11.195 1.00 0.00 N ATOM 341 CA GLY A 27 -7.822 -9.382 9.982 1.00 0.00 C ATOM 342 C GLY A 27 -6.861 -10.320 9.325 1.00 0.00 C ATOM 343 O GLY A 27 -7.014 -10.655 8.159 1.00 0.00 O ATOM 0 H GLY A 27 -7.388 -9.438 12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.754 -9.905 10.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.063 -8.569 9.298 1.00 0.00 H new ATOM 347 N PHE A 28 -5.851 -10.717 10.049 1.00 0.00 N ATOM 348 CA PHE A 28 -4.934 -11.686 9.545 1.00 0.00 C ATOM 349 C PHE A 28 -4.623 -12.672 10.639 1.00 0.00 C ATOM 350 O PHE A 28 -4.661 -12.331 11.830 1.00 0.00 O ATOM 351 CB PHE A 28 -3.639 -11.054 8.939 1.00 0.00 C ATOM 352 CG PHE A 28 -2.682 -10.385 9.915 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.809 -9.051 10.234 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.635 -11.095 10.479 1.00 0.00 C ATOM 355 CE1 PHE A 28 -1.924 -8.436 11.099 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.747 -10.484 11.342 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.891 -9.154 11.650 1.00 0.00 C ATOM 0 H PHE A 28 -5.647 -10.381 10.990 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.407 -12.203 8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.094 -11.836 8.411 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.937 -10.315 8.195 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.614 -8.476 9.801 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.511 -12.141 10.240 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.045 -7.391 11.342 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.062 -11.053 11.775 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.195 -8.674 12.323 1.00 0.00 H new ATOM 367 N SER A 29 -4.369 -13.869 10.255 1.00 0.00 N ATOM 368 CA SER A 29 -4.058 -14.917 11.173 1.00 0.00 C ATOM 369 C SER A 29 -2.556 -15.034 11.249 1.00 0.00 C ATOM 370 O SER A 29 -1.899 -15.241 10.218 1.00 0.00 O ATOM 371 CB SER A 29 -4.663 -16.219 10.658 1.00 0.00 C ATOM 372 OG SER A 29 -6.050 -16.047 10.370 1.00 0.00 O ATOM 0 H SER A 29 -4.370 -14.160 9.277 1.00 0.00 H new ATOM 0 HA SER A 29 -4.464 -14.707 12.163 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.136 -16.541 9.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.535 -17.005 11.402 1.00 0.00 H new ATOM 0 HG SER A 29 -6.422 -16.891 10.039 1.00 0.00 H new ATOM 378 N VAL A 30 -2.007 -14.900 12.419 1.00 0.00 N ATOM 379 CA VAL A 30 -0.586 -14.959 12.559 1.00 0.00 C ATOM 380 C VAL A 30 -0.236 -16.100 13.499 1.00 0.00 C ATOM 381 O VAL A 30 -0.982 -16.392 14.439 1.00 0.00 O ATOM 382 CB VAL A 30 0.005 -13.591 13.089 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.176 -13.543 14.603 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.297 -13.248 12.404 1.00 0.00 C ATOM 0 H VAL A 30 -2.521 -14.750 13.287 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.140 -15.136 11.580 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.741 -12.837 12.837 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.586 -12.575 14.892 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.792 -13.686 15.083 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.857 -14.334 14.917 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.675 -12.302 12.792 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.028 -14.035 12.591 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.127 -13.158 11.331 1.00 0.00 H new ATOM 394 N GLN A 31 0.831 -16.775 13.224 1.00 0.00 N ATOM 395 CA GLN A 31 1.316 -17.777 14.117 1.00 0.00 C ATOM 396 C GLN A 31 2.786 -17.541 14.335 1.00 0.00 C ATOM 397 O GLN A 31 3.561 -17.526 13.390 1.00 0.00 O ATOM 398 CB GLN A 31 1.010 -19.213 13.623 1.00 0.00 C ATOM 399 CG GLN A 31 1.668 -19.634 12.310 1.00 0.00 C ATOM 400 CD GLN A 31 1.246 -21.028 11.890 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.120 -21.463 12.169 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.130 -21.760 11.264 1.00 0.00 N ATOM 0 H GLN A 31 1.389 -16.649 12.379 1.00 0.00 H new ATOM 0 HA GLN A 31 0.792 -17.696 15.070 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.317 -19.914 14.399 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.070 -19.313 13.512 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.404 -18.923 11.527 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.752 -19.600 12.419 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.049 -21.375 11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.900 -22.716 10.992 1.00 0.00 H new ATOM 411 N ASN A 32 3.137 -17.202 15.574 1.00 0.00 N ATOM 412 CA ASN A 32 4.547 -16.972 15.989 1.00 0.00 C ATOM 413 C ASN A 32 5.170 -15.777 15.295 1.00 0.00 C ATOM 414 O ASN A 32 6.371 -15.590 15.338 1.00 0.00 O ATOM 415 CB ASN A 32 5.403 -18.227 15.757 1.00 0.00 C ATOM 416 CG ASN A 32 5.006 -19.365 16.655 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.583 -19.149 17.782 1.00 0.00 O ATOM 418 ND2 ASN A 32 5.087 -20.560 16.160 1.00 0.00 N ATOM 0 H ASN A 32 2.463 -17.075 16.329 1.00 0.00 H new ATOM 0 HA ASN A 32 4.523 -16.752 17.056 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.311 -18.539 14.717 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.452 -17.984 15.925 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.792 -21.363 16.715 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.446 -20.697 15.215 1.00 0.00 H new ATOM 425 N GLY A 33 4.339 -14.962 14.685 1.00 0.00 N ATOM 426 CA GLY A 33 4.829 -13.804 13.996 1.00 0.00 C ATOM 427 C GLY A 33 4.744 -13.967 12.500 1.00 0.00 C ATOM 428 O GLY A 33 5.041 -13.056 11.760 1.00 0.00 O ATOM 0 H GLY A 33 3.327 -15.084 14.655 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.254 -12.929 14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.864 -13.620 14.284 1.00 0.00 H new ATOM 432 N ILE A 34 4.316 -15.119 12.045 1.00 0.00 N ATOM 433 CA ILE A 34 4.211 -15.353 10.613 1.00 0.00 C ATOM 434 C ILE A 34 2.754 -15.420 10.183 1.00 0.00 C ATOM 435 O ILE A 34 1.948 -16.175 10.746 1.00 0.00 O ATOM 436 CB ILE A 34 5.020 -16.597 10.073 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.548 -16.437 10.256 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.749 -16.767 8.589 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.082 -16.525 11.666 1.00 0.00 C ATOM 0 H ILE A 34 4.036 -15.905 12.632 1.00 0.00 H new ATOM 0 HA ILE A 34 4.691 -14.491 10.151 1.00 0.00 H new ATOM 0 HB ILE A 34 4.690 -17.463 10.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.043 -17.202 9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.840 -15.471 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.306 -17.625 8.213 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.683 -16.929 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.063 -15.869 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.164 -16.397 11.654 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.630 -15.742 12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.837 -17.500 12.088 1.00 0.00 H new ATOM 451 N ILE A 35 2.430 -14.583 9.235 1.00 0.00 N ATOM 452 CA ILE A 35 1.103 -14.443 8.684 1.00 0.00 C ATOM 453 C ILE A 35 0.723 -15.682 7.880 1.00 0.00 C ATOM 454 O ILE A 35 1.367 -16.002 6.863 1.00 0.00 O ATOM 455 CB ILE A 35 1.069 -13.199 7.783 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.463 -11.985 8.622 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.328 -13.002 7.172 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.844 -10.795 7.814 1.00 0.00 C ATOM 0 H ILE A 35 3.108 -13.953 8.806 1.00 0.00 H new ATOM 0 HA ILE A 35 0.384 -14.332 9.496 1.00 0.00 H new ATOM 0 HB ILE A 35 1.771 -13.325 6.959 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.630 -11.719 9.273 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.298 -12.257 9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.326 -12.115 6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.590 -13.875 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.060 -12.876 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.111 -9.974 8.479 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.697 -11.042 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.003 -10.496 7.188 1.00 0.00 H new ATOM 470 N CYS A 36 -0.297 -16.363 8.340 1.00 0.00 N ATOM 471 CA CYS A 36 -0.771 -17.591 7.738 1.00 0.00 C ATOM 472 C CYS A 36 -1.960 -17.339 6.805 1.00 0.00 C ATOM 473 O CYS A 36 -2.118 -18.014 5.797 1.00 0.00 O ATOM 474 CB CYS A 36 -1.163 -18.594 8.845 1.00 0.00 C ATOM 475 SG CYS A 36 -1.870 -20.151 8.253 1.00 0.00 S ATOM 0 H CYS A 36 -0.833 -16.076 9.159 1.00 0.00 H new ATOM 0 HA CYS A 36 0.036 -18.009 7.136 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.278 -18.818 9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.882 -18.115 9.510 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.320 -19.991 7.044 1.00 0.00 H new ATOM 481 N SER A 37 -2.776 -16.354 7.121 1.00 0.00 N ATOM 482 CA SER A 37 -3.966 -16.102 6.343 1.00 0.00 C ATOM 483 C SER A 37 -4.369 -14.642 6.492 1.00 0.00 C ATOM 484 O SER A 37 -4.042 -14.017 7.505 1.00 0.00 O ATOM 485 CB SER A 37 -5.091 -17.043 6.816 1.00 0.00 C ATOM 486 OG SER A 37 -6.272 -16.915 6.034 1.00 0.00 O ATOM 0 H SER A 37 -2.636 -15.719 7.907 1.00 0.00 H new ATOM 0 HA SER A 37 -3.775 -16.297 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.740 -18.074 6.773 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.325 -16.829 7.859 1.00 0.00 H new ATOM 0 HG SER A 37 -6.955 -17.532 6.370 1.00 0.00 H new ATOM 492 N LEU A 38 -5.052 -14.111 5.493 1.00 0.00 N ATOM 493 CA LEU A 38 -5.488 -12.729 5.476 1.00 0.00 C ATOM 494 C LEU A 38 -6.963 -12.638 5.081 1.00 0.00 C ATOM 495 O LEU A 38 -7.393 -13.244 4.085 1.00 0.00 O ATOM 496 CB LEU A 38 -4.649 -11.931 4.465 1.00 0.00 C ATOM 497 CG LEU A 38 -5.017 -10.451 4.298 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.785 -9.697 5.573 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.224 -9.817 3.189 1.00 0.00 C ATOM 0 H LEU A 38 -5.322 -14.636 4.661 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.358 -12.314 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.603 -11.992 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.731 -12.416 3.493 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.076 -10.405 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.053 -8.650 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.400 -10.124 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.734 -9.768 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.506 -8.768 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.160 -9.888 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.430 -10.335 2.252 1.00 0.00 H new ATOM 511 N MET A 39 -7.729 -11.906 5.843 1.00 0.00 N ATOM 512 CA MET A 39 -9.111 -11.678 5.520 1.00 0.00 C ATOM 513 C MET A 39 -9.195 -10.506 4.550 1.00 0.00 C ATOM 514 O MET A 39 -8.819 -9.371 4.888 1.00 0.00 O ATOM 515 CB MET A 39 -9.929 -11.394 6.788 1.00 0.00 C ATOM 516 CG MET A 39 -11.422 -11.207 6.542 1.00 0.00 C ATOM 517 SD MET A 39 -12.185 -12.655 5.769 1.00 0.00 S ATOM 518 CE MET A 39 -13.900 -12.141 5.732 1.00 0.00 C ATOM 0 H MET A 39 -7.415 -11.453 6.701 1.00 0.00 H new ATOM 0 HA MET A 39 -9.530 -12.571 5.056 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.788 -12.217 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.536 -10.497 7.266 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.920 -11.001 7.489 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.576 -10.336 5.905 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.506 -12.927 5.282 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.246 -11.953 6.749 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.994 -11.229 5.143 1.00 0.00 H new ATOM 528 N ARG A 40 -9.652 -10.780 3.351 1.00 0.00 N ATOM 529 CA ARG A 40 -9.744 -9.779 2.320 1.00 0.00 C ATOM 530 C ARG A 40 -10.866 -8.823 2.701 1.00 0.00 C ATOM 531 O ARG A 40 -11.937 -9.259 3.130 1.00 0.00 O ATOM 532 CB ARG A 40 -10.039 -10.445 0.968 1.00 0.00 C ATOM 533 CG ARG A 40 -9.489 -9.692 -0.237 1.00 0.00 C ATOM 534 CD ARG A 40 -7.964 -9.726 -0.230 1.00 0.00 C ATOM 535 NE ARG A 40 -7.364 -9.041 -1.381 1.00 0.00 N ATOM 536 CZ ARG A 40 -6.147 -9.322 -1.883 1.00 0.00 C ATOM 537 NH1 ARG A 40 -5.375 -10.268 -1.329 1.00 0.00 N ATOM 538 NH2 ARG A 40 -5.697 -8.659 -2.934 1.00 0.00 N ATOM 0 H ARG A 40 -9.971 -11.706 3.064 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.804 -9.235 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.621 -11.452 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.118 -10.548 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.866 -10.139 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.837 -8.659 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.601 -9.265 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.630 -10.764 -0.219 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.905 -8.303 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.708 -10.786 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.455 -10.470 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.272 -7.935 -3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.775 -8.872 -3.315 1.00 0.00 H new ATOM 552 N GLY A 41 -10.623 -7.550 2.573 1.00 0.00 N ATOM 553 CA GLY A 41 -11.582 -6.562 2.993 1.00 0.00 C ATOM 554 C GLY A 41 -11.345 -6.120 4.421 1.00 0.00 C ATOM 555 O GLY A 41 -12.038 -5.236 4.933 1.00 0.00 O ATOM 0 H GLY A 41 -9.764 -7.167 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.527 -5.698 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.588 -6.970 2.901 1.00 0.00 H new ATOM 559 N GLY A 42 -10.369 -6.723 5.064 1.00 0.00 N ATOM 560 CA GLY A 42 -10.058 -6.382 6.427 1.00 0.00 C ATOM 561 C GLY A 42 -9.003 -5.309 6.498 1.00 0.00 C ATOM 562 O GLY A 42 -8.358 -4.998 5.479 1.00 0.00 O ATOM 0 H GLY A 42 -9.779 -7.451 4.661 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.961 -6.041 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.712 -7.270 6.956 1.00 0.00 H new ATOM 566 N ILE A 43 -8.801 -4.748 7.684 1.00 0.00 N ATOM 567 CA ILE A 43 -7.806 -3.694 7.879 1.00 0.00 C ATOM 568 C ILE A 43 -6.408 -4.116 7.470 1.00 0.00 C ATOM 569 O ILE A 43 -5.666 -3.321 6.922 1.00 0.00 O ATOM 570 CB ILE A 43 -7.784 -3.087 9.311 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.019 -4.143 10.400 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.738 -1.918 9.438 1.00 0.00 C ATOM 573 CD1 ILE A 43 -7.930 -3.592 11.814 1.00 0.00 C ATOM 0 H ILE A 43 -9.313 -5.004 8.528 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.138 -2.903 7.207 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.778 -2.701 9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.003 -4.589 10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.286 -4.941 10.284 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.694 -1.521 10.452 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.455 -1.139 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.753 -2.252 9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.107 -4.395 12.529 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.938 -3.171 11.979 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.681 -2.814 11.949 1.00 0.00 H new ATOM 585 N ALA A 44 -6.060 -5.366 7.717 1.00 0.00 N ATOM 586 CA ALA A 44 -4.745 -5.886 7.376 1.00 0.00 C ATOM 587 C ALA A 44 -4.474 -5.833 5.881 1.00 0.00 C ATOM 588 O ALA A 44 -3.348 -5.546 5.458 1.00 0.00 O ATOM 589 CB ALA A 44 -4.591 -7.279 7.901 1.00 0.00 C ATOM 0 H ALA A 44 -6.677 -6.048 8.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.003 -5.244 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.603 -7.659 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.703 -7.274 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.354 -7.920 7.460 1.00 0.00 H new ATOM 595 N GLU A 45 -5.503 -6.055 5.081 1.00 0.00 N ATOM 596 CA GLU A 45 -5.357 -6.002 3.638 1.00 0.00 C ATOM 597 C GLU A 45 -5.037 -4.565 3.246 1.00 0.00 C ATOM 598 O GLU A 45 -4.162 -4.299 2.413 1.00 0.00 O ATOM 599 CB GLU A 45 -6.645 -6.414 2.958 1.00 0.00 C ATOM 600 CG GLU A 45 -6.502 -6.559 1.465 1.00 0.00 C ATOM 601 CD GLU A 45 -7.709 -6.084 0.727 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.789 -6.655 0.885 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.589 -5.127 -0.042 1.00 0.00 O ATOM 0 H GLU A 45 -6.445 -6.273 5.406 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.563 -6.682 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.985 -7.360 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.416 -5.674 3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.631 -5.996 1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.319 -7.605 1.221 1.00 0.00 H new ATOM 610 N ARG A 46 -5.735 -3.656 3.901 1.00 0.00 N ATOM 611 CA ARG A 46 -5.569 -2.216 3.699 1.00 0.00 C ATOM 612 C ARG A 46 -4.192 -1.779 4.187 1.00 0.00 C ATOM 613 O ARG A 46 -3.579 -0.849 3.645 1.00 0.00 O ATOM 614 CB ARG A 46 -6.644 -1.434 4.463 1.00 0.00 C ATOM 615 CG ARG A 46 -8.070 -1.795 4.091 1.00 0.00 C ATOM 616 CD ARG A 46 -9.074 -0.899 4.805 1.00 0.00 C ATOM 617 NE ARG A 46 -10.449 -1.192 4.394 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.000 -0.790 3.235 1.00 0.00 C ATOM 619 NH1 ARG A 46 -10.343 0.065 2.432 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.220 -1.208 2.903 1.00 0.00 N ATOM 0 H ARG A 46 -6.442 -3.892 4.597 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.668 -2.007 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.507 -1.602 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.495 -0.369 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.201 -1.704 3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.262 -2.837 4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.980 -1.033 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.845 0.145 4.593 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.029 -1.739 5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.422 0.412 2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.765 0.367 1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.733 -1.831 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.641 -0.905 2.025 1.00 0.00 H new ATOM 634 N GLY A 47 -3.714 -2.466 5.203 1.00 0.00 N ATOM 635 CA GLY A 47 -2.424 -2.194 5.781 1.00 0.00 C ATOM 636 C GLY A 47 -1.280 -2.599 4.879 1.00 0.00 C ATOM 637 O GLY A 47 -0.183 -2.016 4.943 1.00 0.00 O ATOM 0 H GLY A 47 -4.216 -3.233 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.347 -1.129 6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.337 -2.723 6.730 1.00 0.00 H new ATOM 641 N GLY A 48 -1.527 -3.581 4.038 1.00 0.00 N ATOM 642 CA GLY A 48 -0.501 -4.057 3.141 1.00 0.00 C ATOM 643 C GLY A 48 0.086 -5.347 3.636 1.00 0.00 C ATOM 644 O GLY A 48 1.208 -5.722 3.283 1.00 0.00 O ATOM 0 H GLY A 48 -2.423 -4.061 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.921 -4.202 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.284 -3.307 3.049 1.00 0.00 H new ATOM 648 N VAL A 49 -0.670 -6.021 4.470 1.00 0.00 N ATOM 649 CA VAL A 49 -0.281 -7.276 5.020 1.00 0.00 C ATOM 650 C VAL A 49 -0.492 -8.354 3.963 1.00 0.00 C ATOM 651 O VAL A 49 -1.483 -8.321 3.221 1.00 0.00 O ATOM 652 CB VAL A 49 -1.127 -7.578 6.290 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.891 -8.960 6.832 1.00 0.00 C ATOM 654 CG2 VAL A 49 -0.845 -6.562 7.375 1.00 0.00 C ATOM 0 H VAL A 49 -1.585 -5.698 4.784 1.00 0.00 H new ATOM 0 HA VAL A 49 0.770 -7.254 5.309 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.171 -7.515 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.508 -9.114 7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.154 -9.698 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.160 -9.072 7.098 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.447 -6.792 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.212 -6.596 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.096 -5.565 7.014 1.00 0.00 H new ATOM 664 N ARG A 50 0.458 -9.248 3.850 1.00 0.00 N ATOM 665 CA ARG A 50 0.386 -10.363 2.933 1.00 0.00 C ATOM 666 C ARG A 50 0.843 -11.598 3.623 1.00 0.00 C ATOM 667 O ARG A 50 1.725 -11.556 4.496 1.00 0.00 O ATOM 668 CB ARG A 50 1.215 -10.136 1.657 1.00 0.00 C ATOM 669 CG ARG A 50 0.675 -9.066 0.721 1.00 0.00 C ATOM 670 CD ARG A 50 -0.739 -9.392 0.256 1.00 0.00 C ATOM 671 NE ARG A 50 -1.248 -8.430 -0.736 1.00 0.00 N ATOM 672 CZ ARG A 50 -2.308 -7.627 -0.551 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.818 -7.459 0.675 1.00 0.00 N ATOM 674 NH2 ARG A 50 -2.832 -6.955 -1.579 1.00 0.00 N ATOM 0 H ARG A 50 1.317 -9.223 4.400 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.653 -10.465 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.231 -9.866 1.945 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.278 -11.077 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.679 -8.101 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.331 -8.973 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.753 -10.393 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.406 -9.406 1.118 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.759 -8.369 -1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.401 -7.942 1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.623 -6.848 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.427 -7.050 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.637 -6.346 -1.433 1.00 0.00 H new ATOM 688 N VAL A 51 0.248 -12.669 3.238 1.00 0.00 N ATOM 689 CA VAL A 51 0.519 -13.973 3.775 1.00 0.00 C ATOM 690 C VAL A 51 1.909 -14.410 3.375 1.00 0.00 C ATOM 691 O VAL A 51 2.358 -14.131 2.248 1.00 0.00 O ATOM 692 CB VAL A 51 -0.542 -14.955 3.259 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.191 -16.413 3.538 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.878 -14.619 3.873 1.00 0.00 C ATOM 0 H VAL A 51 -0.470 -12.672 2.513 1.00 0.00 H new ATOM 0 HA VAL A 51 0.474 -13.950 4.864 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.584 -14.846 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.979 -17.058 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.752 -16.660 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.095 -16.565 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.632 -15.316 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.809 -14.695 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.159 -13.602 3.598 1.00 0.00 H new ATOM 704 N GLY A 52 2.601 -15.047 4.292 1.00 0.00 N ATOM 705 CA GLY A 52 3.941 -15.469 4.018 1.00 0.00 C ATOM 706 C GLY A 52 4.898 -14.388 4.408 1.00 0.00 C ATOM 707 O GLY A 52 5.979 -14.248 3.839 1.00 0.00 O ATOM 0 H GLY A 52 2.256 -15.279 5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.165 -16.383 4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.050 -15.700 2.959 1.00 0.00 H new ATOM 711 N HIS A 53 4.461 -13.573 5.332 1.00 0.00 N ATOM 712 CA HIS A 53 5.264 -12.519 5.877 1.00 0.00 C ATOM 713 C HIS A 53 5.448 -12.717 7.350 1.00 0.00 C ATOM 714 O HIS A 53 4.556 -13.210 8.036 1.00 0.00 O ATOM 715 CB HIS A 53 4.683 -11.122 5.592 1.00 0.00 C ATOM 716 CG HIS A 53 5.031 -10.548 4.256 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.413 -9.233 4.072 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.040 -11.107 3.038 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.639 -9.025 2.789 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.418 -10.146 2.146 1.00 0.00 N ATOM 0 H HIS A 53 3.524 -13.627 5.730 1.00 0.00 H new ATOM 0 HA HIS A 53 6.233 -12.566 5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.597 -11.174 5.676 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.030 -10.437 6.365 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.505 -8.535 4.810 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.793 -12.132 2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.952 -8.092 2.345 1.00 0.00 H new ATOM 729 N ARG A 54 6.604 -12.351 7.813 1.00 0.00 N ATOM 730 CA ARG A 54 6.961 -12.449 9.204 1.00 0.00 C ATOM 731 C ARG A 54 6.976 -11.064 9.787 1.00 0.00 C ATOM 732 O ARG A 54 7.644 -10.177 9.248 1.00 0.00 O ATOM 733 CB ARG A 54 8.347 -13.094 9.349 1.00 0.00 C ATOM 734 CG ARG A 54 8.881 -13.172 10.778 1.00 0.00 C ATOM 735 CD ARG A 54 10.276 -13.784 10.802 1.00 0.00 C ATOM 736 NE ARG A 54 11.234 -13.010 9.979 1.00 0.00 N ATOM 737 CZ ARG A 54 12.135 -13.551 9.130 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.306 -14.871 9.081 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.907 -12.765 8.380 1.00 0.00 N ATOM 0 H ARG A 54 7.344 -11.967 7.226 1.00 0.00 H new ATOM 0 HA ARG A 54 6.237 -13.070 9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.306 -14.103 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.057 -12.532 8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.909 -12.174 11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.206 -13.770 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.635 -13.829 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.229 -14.809 10.436 1.00 0.00 H new ATOM 0 HE ARG A 54 11.212 -11.993 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.755 -15.479 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.988 -15.273 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.819 -11.751 8.446 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.586 -13.178 7.740 1.00 0.00 H new ATOM 753 N ILE A 55 6.217 -10.876 10.821 1.00 0.00 N ATOM 754 CA ILE A 55 6.158 -9.611 11.544 1.00 0.00 C ATOM 755 C ILE A 55 7.454 -9.471 12.338 1.00 0.00 C ATOM 756 O ILE A 55 7.732 -10.279 13.219 1.00 0.00 O ATOM 757 CB ILE A 55 4.978 -9.581 12.558 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.631 -9.958 11.910 1.00 0.00 C ATOM 759 CG2 ILE A 55 4.877 -8.202 13.202 1.00 0.00 C ATOM 760 CD1 ILE A 55 3.126 -8.990 10.884 1.00 0.00 C ATOM 0 H ILE A 55 5.606 -11.597 11.205 1.00 0.00 H new ATOM 0 HA ILE A 55 6.018 -8.805 10.824 1.00 0.00 H new ATOM 0 HB ILE A 55 5.191 -10.331 13.319 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.732 -10.938 11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.882 -10.054 12.696 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.048 -8.191 13.910 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.806 -7.977 13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.705 -7.452 12.430 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.174 -9.344 10.488 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.987 -8.012 11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.849 -8.909 10.073 1.00 0.00 H new ATOM 772 N ILE A 56 8.258 -8.495 12.009 1.00 0.00 N ATOM 773 CA ILE A 56 9.499 -8.323 12.693 1.00 0.00 C ATOM 774 C ILE A 56 9.471 -7.175 13.699 1.00 0.00 C ATOM 775 O ILE A 56 10.278 -7.142 14.632 1.00 0.00 O ATOM 776 CB ILE A 56 10.756 -8.328 11.733 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.845 -7.103 10.808 1.00 0.00 C ATOM 778 CG2 ILE A 56 10.751 -9.579 10.873 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.547 -5.902 11.400 1.00 0.00 C ATOM 0 H ILE A 56 8.072 -7.813 11.274 1.00 0.00 H new ATOM 0 HA ILE A 56 9.631 -9.218 13.301 1.00 0.00 H new ATOM 0 HB ILE A 56 11.624 -8.300 12.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.364 -7.394 9.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.835 -6.809 10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.621 -9.572 10.216 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.787 -10.461 11.513 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.842 -9.604 10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.558 -5.091 10.671 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.019 -5.577 12.296 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.571 -6.171 11.660 1.00 0.00 H new ATOM 791 N GLU A 57 8.505 -6.283 13.563 1.00 0.00 N ATOM 792 CA GLU A 57 8.391 -5.151 14.481 1.00 0.00 C ATOM 793 C GLU A 57 6.960 -4.690 14.535 1.00 0.00 C ATOM 794 O GLU A 57 6.243 -4.812 13.543 1.00 0.00 O ATOM 795 CB GLU A 57 9.301 -3.988 14.051 1.00 0.00 C ATOM 796 CG GLU A 57 9.342 -2.836 15.037 1.00 0.00 C ATOM 797 CD GLU A 57 10.140 -1.662 14.545 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.381 -1.739 14.500 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.531 -0.632 14.208 1.00 0.00 O ATOM 0 H GLU A 57 7.792 -6.315 12.834 1.00 0.00 H new ATOM 0 HA GLU A 57 8.711 -5.478 15.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.313 -4.366 13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.962 -3.614 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.323 -2.511 15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.767 -3.187 15.978 1.00 0.00 H new ATOM 806 N ILE A 58 6.546 -4.213 15.701 1.00 0.00 N ATOM 807 CA ILE A 58 5.211 -3.692 15.939 1.00 0.00 C ATOM 808 C ILE A 58 5.309 -2.440 16.820 1.00 0.00 C ATOM 809 O ILE A 58 5.817 -2.504 17.947 1.00 0.00 O ATOM 810 CB ILE A 58 4.326 -4.721 16.669 1.00 0.00 C ATOM 811 CG1 ILE A 58 4.151 -5.981 15.841 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.956 -4.110 16.978 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.606 -7.142 16.629 1.00 0.00 C ATOM 0 H ILE A 58 7.145 -4.178 16.526 1.00 0.00 H new ATOM 0 HA ILE A 58 4.764 -3.462 14.972 1.00 0.00 H new ATOM 0 HB ILE A 58 4.823 -4.991 17.601 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.480 -5.770 15.008 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.113 -6.262 15.412 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.338 -4.845 17.494 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.083 -3.233 17.613 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.470 -3.817 16.047 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.506 -8.009 15.977 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.287 -7.379 17.446 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.629 -6.879 17.036 1.00 0.00 H new ATOM 825 N ASN A 59 4.844 -1.324 16.291 1.00 0.00 N ATOM 826 CA ASN A 59 4.800 -0.005 16.964 1.00 0.00 C ATOM 827 C ASN A 59 6.085 0.405 17.671 1.00 0.00 C ATOM 828 O ASN A 59 6.055 1.118 18.688 1.00 0.00 O ATOM 829 CB ASN A 59 3.575 0.147 17.876 1.00 0.00 C ATOM 830 CG ASN A 59 2.300 0.265 17.082 1.00 0.00 C ATOM 831 OD1 ASN A 59 2.318 0.698 15.932 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.185 -0.065 17.685 1.00 0.00 N ATOM 0 H ASN A 59 4.468 -1.292 15.344 1.00 0.00 H new ATOM 0 HA ASN A 59 4.698 0.705 16.143 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.510 -0.712 18.544 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.696 1.030 18.504 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.294 0.034 17.199 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.208 -0.421 18.640 1.00 0.00 H new ATOM 839 N GLY A 60 7.207 0.006 17.128 1.00 0.00 N ATOM 840 CA GLY A 60 8.466 0.435 17.676 1.00 0.00 C ATOM 841 C GLY A 60 9.185 -0.627 18.466 1.00 0.00 C ATOM 842 O GLY A 60 10.259 -0.364 19.007 1.00 0.00 O ATOM 0 H GLY A 60 7.274 -0.608 16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.111 0.766 16.862 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.295 1.298 18.319 1.00 0.00 H new ATOM 846 N GLN A 61 8.601 -1.801 18.592 1.00 0.00 N ATOM 847 CA GLN A 61 9.285 -2.884 19.266 1.00 0.00 C ATOM 848 C GLN A 61 9.464 -4.039 18.327 1.00 0.00 C ATOM 849 O GLN A 61 8.504 -4.475 17.674 1.00 0.00 O ATOM 850 CB GLN A 61 8.615 -3.330 20.597 1.00 0.00 C ATOM 851 CG GLN A 61 7.231 -3.947 20.481 1.00 0.00 C ATOM 852 CD GLN A 61 6.717 -4.488 21.809 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.958 -5.651 22.159 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.005 -3.683 22.547 1.00 0.00 N ATOM 0 H GLN A 61 7.670 -2.027 18.243 1.00 0.00 H new ATOM 0 HA GLN A 61 10.261 -2.499 19.560 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.271 -4.051 21.085 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.549 -2.463 21.254 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.534 -3.199 20.104 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.258 -4.755 19.750 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.823 -2.730 22.233 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.630 -4.006 23.439 1.00 0.00 H new ATOM 863 N SER A 62 10.688 -4.473 18.191 1.00 0.00 N ATOM 864 CA SER A 62 11.010 -5.606 17.379 1.00 0.00 C ATOM 865 C SER A 62 10.450 -6.847 18.062 1.00 0.00 C ATOM 866 O SER A 62 10.923 -7.249 19.130 1.00 0.00 O ATOM 867 CB SER A 62 12.528 -5.708 17.231 1.00 0.00 C ATOM 868 OG SER A 62 13.082 -4.463 16.818 1.00 0.00 O ATOM 0 H SER A 62 11.494 -4.044 18.646 1.00 0.00 H new ATOM 0 HA SER A 62 10.576 -5.509 16.384 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.971 -6.011 18.180 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.776 -6.480 16.503 1.00 0.00 H new ATOM 0 HG SER A 62 14.054 -4.550 16.731 1.00 0.00 H new ATOM 874 N VAL A 63 9.440 -7.438 17.471 1.00 0.00 N ATOM 875 CA VAL A 63 8.761 -8.546 18.067 1.00 0.00 C ATOM 876 C VAL A 63 9.188 -9.824 17.412 1.00 0.00 C ATOM 877 O VAL A 63 8.619 -10.879 17.634 1.00 0.00 O ATOM 878 CB VAL A 63 7.245 -8.364 17.951 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.839 -7.080 18.672 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.835 -8.323 16.486 1.00 0.00 C ATOM 0 H VAL A 63 9.071 -7.158 16.562 1.00 0.00 H new ATOM 0 HA VAL A 63 9.023 -8.592 19.124 1.00 0.00 H new ATOM 0 HB VAL A 63 6.734 -9.206 18.418 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.760 -6.944 18.593 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.121 -7.148 19.723 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.346 -6.230 18.215 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.755 -8.193 16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.334 -7.490 15.992 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.121 -9.257 16.002 1.00 0.00 H new ATOM 890 N VAL A 64 10.248 -9.731 16.664 1.00 0.00 N ATOM 891 CA VAL A 64 10.738 -10.844 15.923 1.00 0.00 C ATOM 892 C VAL A 64 11.400 -11.889 16.849 1.00 0.00 C ATOM 893 O VAL A 64 11.627 -13.037 16.462 1.00 0.00 O ATOM 894 CB VAL A 64 11.691 -10.376 14.816 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.073 -10.040 15.326 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.696 -11.336 13.671 1.00 0.00 C ATOM 0 H VAL A 64 10.795 -8.877 16.554 1.00 0.00 H new ATOM 0 HA VAL A 64 9.891 -11.337 15.445 1.00 0.00 H new ATOM 0 HB VAL A 64 11.304 -9.431 14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.699 -9.716 14.495 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.004 -9.239 16.062 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.514 -10.922 15.790 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.380 -10.980 12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.021 -12.316 14.020 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.691 -11.413 13.256 1.00 0.00 H new ATOM 906 N ALA A 65 11.695 -11.490 18.060 1.00 0.00 N ATOM 907 CA ALA A 65 12.239 -12.392 19.044 1.00 0.00 C ATOM 908 C ALA A 65 11.266 -12.506 20.209 1.00 0.00 C ATOM 909 O ALA A 65 11.596 -13.010 21.283 1.00 0.00 O ATOM 910 CB ALA A 65 13.589 -11.888 19.504 1.00 0.00 C ATOM 0 H ALA A 65 11.566 -10.534 18.391 1.00 0.00 H new ATOM 0 HA ALA A 65 12.378 -13.382 18.611 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.998 -12.571 20.248 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.266 -11.832 18.652 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.477 -10.897 19.944 1.00 0.00 H new ATOM 916 N THR A 66 10.069 -12.049 19.973 1.00 0.00 N ATOM 917 CA THR A 66 9.024 -12.041 20.921 1.00 0.00 C ATOM 918 C THR A 66 8.191 -13.330 20.731 1.00 0.00 C ATOM 919 O THR A 66 8.049 -13.804 19.604 1.00 0.00 O ATOM 920 CB THR A 66 8.205 -10.751 20.660 1.00 0.00 C ATOM 921 OG1 THR A 66 9.068 -9.615 20.864 1.00 0.00 O ATOM 922 CG2 THR A 66 7.015 -10.616 21.553 1.00 0.00 C ATOM 0 H THR A 66 9.797 -11.658 19.071 1.00 0.00 H new ATOM 0 HA THR A 66 9.374 -12.033 21.953 1.00 0.00 H new ATOM 0 HB THR A 66 7.832 -10.803 19.637 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.524 -8.818 21.034 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.487 -9.692 21.318 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.348 -11.464 21.401 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.341 -10.593 22.593 1.00 0.00 H new ATOM 930 N PRO A 67 7.740 -13.974 21.821 1.00 0.00 N ATOM 931 CA PRO A 67 6.938 -15.191 21.721 1.00 0.00 C ATOM 932 C PRO A 67 5.516 -14.940 21.173 1.00 0.00 C ATOM 933 O PRO A 67 5.009 -13.806 21.206 1.00 0.00 O ATOM 934 CB PRO A 67 6.888 -15.721 23.159 1.00 0.00 C ATOM 935 CG PRO A 67 7.159 -14.541 24.027 1.00 0.00 C ATOM 936 CD PRO A 67 8.016 -13.601 23.225 1.00 0.00 C ATOM 0 HA PRO A 67 7.376 -15.896 21.015 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.915 -16.158 23.383 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.632 -16.502 23.315 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.228 -14.058 24.324 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.668 -14.843 24.942 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.757 -12.560 23.420 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.072 -13.718 23.469 1.00 0.00 H new ATOM 944 N HIS A 68 4.898 -16.027 20.711 1.00 0.00 N ATOM 945 CA HIS A 68 3.554 -16.094 20.102 1.00 0.00 C ATOM 946 C HIS A 68 2.545 -15.246 20.856 1.00 0.00 C ATOM 947 O HIS A 68 1.898 -14.379 20.275 1.00 0.00 O ATOM 948 CB HIS A 68 3.104 -17.596 20.124 1.00 0.00 C ATOM 949 CG HIS A 68 1.691 -17.925 19.655 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.421 -18.827 18.648 1.00 0.00 N ATOM 951 CD2 HIS A 68 0.472 -17.532 20.124 1.00 0.00 C ATOM 952 CE1 HIS A 68 0.116 -18.961 18.520 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.472 -18.190 19.401 1.00 0.00 N ATOM 0 H HIS A 68 5.343 -16.944 20.751 1.00 0.00 H new ATOM 0 HA HIS A 68 3.600 -15.704 19.085 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.801 -18.163 19.507 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.211 -17.962 21.145 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.290 -16.828 20.923 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.385 -19.600 17.808 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.480 -18.098 19.525 1.00 0.00 H new ATOM 962 N GLU A 69 2.425 -15.527 22.126 1.00 0.00 N ATOM 963 CA GLU A 69 1.453 -14.904 22.999 1.00 0.00 C ATOM 964 C GLU A 69 1.624 -13.418 23.012 1.00 0.00 C ATOM 965 O GLU A 69 0.676 -12.678 22.814 1.00 0.00 O ATOM 966 CB GLU A 69 1.674 -15.407 24.380 1.00 0.00 C ATOM 967 CG GLU A 69 0.720 -14.883 25.417 1.00 0.00 C ATOM 968 CD GLU A 69 1.100 -15.377 26.769 1.00 0.00 C ATOM 969 OE1 GLU A 69 1.904 -14.693 27.453 1.00 0.00 O ATOM 970 OE2 GLU A 69 0.654 -16.478 27.154 1.00 0.00 O ATOM 0 H GLU A 69 3.014 -16.213 22.599 1.00 0.00 H new ATOM 0 HA GLU A 69 0.452 -15.144 22.641 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.609 -16.495 24.367 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.690 -15.152 24.683 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.724 -13.793 25.407 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.295 -15.200 25.179 1.00 0.00 H new ATOM 977 N LYS A 70 2.846 -13.002 23.244 1.00 0.00 N ATOM 978 CA LYS A 70 3.194 -11.615 23.318 1.00 0.00 C ATOM 979 C LYS A 70 2.849 -10.923 22.038 1.00 0.00 C ATOM 980 O LYS A 70 2.078 -9.976 22.055 1.00 0.00 O ATOM 981 CB LYS A 70 4.668 -11.471 23.649 1.00 0.00 C ATOM 982 CG LYS A 70 5.032 -10.859 25.015 1.00 0.00 C ATOM 983 CD LYS A 70 4.567 -11.648 26.245 1.00 0.00 C ATOM 984 CE LYS A 70 3.086 -11.475 26.520 1.00 0.00 C ATOM 985 NZ LYS A 70 2.660 -12.129 27.774 1.00 0.00 N ATOM 0 H LYS A 70 3.635 -13.633 23.388 1.00 0.00 H new ATOM 0 HA LYS A 70 2.620 -11.141 24.114 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.124 -12.459 23.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.129 -10.860 22.873 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.115 -10.749 25.066 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.607 -9.857 25.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.785 -12.706 26.098 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.135 -11.324 27.117 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.852 -10.412 26.572 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.515 -11.887 25.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.056 -11.479 28.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.126 -12.993 27.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.498 -12.376 28.338 1.00 0.00 H new ATOM 999 N ILE A 71 3.346 -11.452 20.932 1.00 0.00 N ATOM 1000 CA ILE A 71 3.090 -10.894 19.608 1.00 0.00 C ATOM 1001 C ILE A 71 1.579 -10.699 19.379 1.00 0.00 C ATOM 1002 O ILE A 71 1.128 -9.622 18.961 1.00 0.00 O ATOM 1003 CB ILE A 71 3.687 -11.806 18.496 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.202 -11.918 18.662 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.365 -11.269 17.117 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.890 -12.759 17.605 1.00 0.00 C ATOM 0 H ILE A 71 3.939 -12.282 20.924 1.00 0.00 H new ATOM 0 HA ILE A 71 3.578 -9.921 19.557 1.00 0.00 H new ATOM 0 HB ILE A 71 3.237 -12.794 18.596 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.631 -10.916 18.647 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.417 -12.343 19.643 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.795 -11.926 16.361 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.284 -11.225 16.987 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.785 -10.269 17.009 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.962 -12.784 17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.493 -13.774 17.632 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.711 -12.325 16.621 1.00 0.00 H new ATOM 1018 N VAL A 72 0.809 -11.706 19.742 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.635 -11.665 19.583 1.00 0.00 C ATOM 1020 C VAL A 72 -1.276 -10.671 20.563 1.00 0.00 C ATOM 1021 O VAL A 72 -2.160 -9.897 20.184 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.255 -13.092 19.749 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.778 -13.056 19.793 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.798 -13.991 18.611 1.00 0.00 C ATOM 0 H VAL A 72 1.161 -12.571 20.153 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.848 -11.318 18.572 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.906 -13.490 20.702 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.163 -14.069 19.909 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.103 -12.446 20.635 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.159 -12.627 18.866 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.234 -14.983 18.733 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.121 -13.567 17.660 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.289 -14.068 18.623 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.771 -10.633 21.786 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.342 -9.805 22.846 1.00 0.00 C ATOM 1036 C HIS A 73 -1.121 -8.334 22.529 1.00 0.00 C ATOM 1037 O HIS A 73 -1.996 -7.489 22.772 1.00 0.00 O ATOM 1038 CB HIS A 73 -0.726 -10.183 24.211 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.336 -9.487 25.401 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.404 -9.998 26.097 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.014 -8.328 26.020 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.712 -9.191 27.087 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -1.885 -8.170 27.062 1.00 0.00 N ATOM 0 H HIS A 73 0.045 -11.173 22.075 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.416 -9.984 22.904 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.822 -11.260 24.350 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.340 -9.959 24.186 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.217 -7.653 25.743 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.509 -9.341 27.800 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.892 -7.386 27.715 1.00 0.00 H new ATOM 1052 N ILE A 74 0.027 -8.053 21.974 1.00 0.00 N ATOM 1053 CA ILE A 74 0.407 -6.735 21.556 1.00 0.00 C ATOM 1054 C ILE A 74 -0.472 -6.276 20.402 1.00 0.00 C ATOM 1055 O ILE A 74 -1.065 -5.193 20.464 1.00 0.00 O ATOM 1056 CB ILE A 74 1.898 -6.743 21.175 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.712 -6.943 22.443 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.303 -5.459 20.472 1.00 0.00 C ATOM 1059 CD1 ILE A 74 4.022 -7.617 22.217 1.00 0.00 C ATOM 0 H ILE A 74 0.743 -8.757 21.796 1.00 0.00 H new ATOM 0 HA ILE A 74 0.263 -6.025 22.371 1.00 0.00 H new ATOM 0 HB ILE A 74 2.087 -7.557 20.475 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.889 -5.973 22.907 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.128 -7.533 23.149 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.362 -5.502 20.219 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.716 -5.342 19.561 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.122 -4.610 21.131 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.545 -7.724 23.167 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.854 -8.602 21.782 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.627 -7.018 21.536 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.605 -7.126 19.381 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.459 -6.818 18.225 1.00 0.00 C ATOM 1073 C LEU A 75 -2.911 -6.660 18.632 1.00 0.00 C ATOM 1074 O LEU A 75 -3.600 -5.778 18.157 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.340 -7.885 17.132 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.016 -7.931 16.383 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.013 -9.077 15.384 1.00 0.00 C ATOM 1078 CD2 LEU A 75 0.236 -6.601 15.675 1.00 0.00 C ATOM 0 H LEU A 75 -0.136 -8.030 19.328 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.105 -5.869 17.821 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.512 -8.861 17.585 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.139 -7.725 16.408 1.00 0.00 H new ATOM 0 HG LEU A 75 0.787 -8.099 17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.940 -9.097 14.856 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.155 -10.020 15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.822 -8.937 14.667 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.186 -6.646 15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.569 -6.408 14.965 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.271 -5.798 16.411 1.00 0.00 H new ATOM 1090 N SER A 76 -3.352 -7.502 19.526 1.00 0.00 N ATOM 1091 CA SER A 76 -4.712 -7.496 20.012 1.00 0.00 C ATOM 1092 C SER A 76 -5.068 -6.203 20.763 1.00 0.00 C ATOM 1093 O SER A 76 -6.227 -5.820 20.794 1.00 0.00 O ATOM 1094 CB SER A 76 -4.978 -8.728 20.901 1.00 0.00 C ATOM 1095 OG SER A 76 -6.357 -8.836 21.271 1.00 0.00 O ATOM 0 H SER A 76 -2.769 -8.226 19.947 1.00 0.00 H new ATOM 0 HA SER A 76 -5.359 -7.542 19.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.673 -9.630 20.370 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.365 -8.665 21.800 1.00 0.00 H new ATOM 0 HG SER A 76 -6.484 -9.629 21.832 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.099 -5.540 21.359 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.415 -4.356 22.163 1.00 0.00 C ATOM 1103 C ASN A 77 -4.006 -3.047 21.518 1.00 0.00 C ATOM 1104 O ASN A 77 -4.354 -1.978 22.014 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.867 -4.474 23.595 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.620 -5.509 24.416 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.617 -5.191 25.080 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.169 -6.742 24.385 1.00 0.00 N ATOM 0 H ASN A 77 -3.110 -5.783 21.311 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.503 -4.329 22.219 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.811 -4.742 23.557 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.933 -3.504 24.088 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.642 -7.472 24.918 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.346 -6.970 23.828 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.303 -3.118 20.416 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.863 -1.915 19.745 1.00 0.00 C ATOM 1117 C ALA A 78 -3.875 -1.494 18.699 1.00 0.00 C ATOM 1118 O ALA A 78 -4.393 -2.343 17.961 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.459 -2.096 19.124 1.00 0.00 C ATOM 0 H ALA A 78 -3.023 -3.989 19.964 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.787 -1.121 20.488 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.159 -1.173 18.628 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.742 -2.335 19.909 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.485 -2.907 18.397 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.183 -0.203 18.654 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.096 0.347 17.657 1.00 0.00 C ATOM 1127 C VAL A 79 -4.482 1.639 17.091 1.00 0.00 C ATOM 1128 O VAL A 79 -3.406 2.051 17.538 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.574 0.611 18.201 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.997 -0.376 19.201 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.846 2.004 18.677 1.00 0.00 C ATOM 0 H VAL A 79 -3.810 0.489 19.303 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.214 -0.403 16.875 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.190 0.486 17.310 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.009 -0.146 19.534 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.978 -1.372 18.759 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.318 -0.344 20.053 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.877 2.075 19.025 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.169 2.247 19.496 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.691 2.705 17.857 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.138 2.255 16.128 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.645 3.473 15.547 1.00 0.00 C ATOM 1143 C GLY A 80 -3.690 3.182 14.458 1.00 0.00 C ATOM 1144 O GLY A 80 -3.791 2.124 13.827 1.00 0.00 O ATOM 0 H GLY A 80 -6.019 1.924 15.734 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.478 4.060 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.158 4.076 16.313 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.790 4.103 14.211 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.744 3.915 13.245 1.00 0.00 C ATOM 1150 C GLU A 81 -0.694 2.975 13.831 1.00 0.00 C ATOM 1151 O GLU A 81 0.056 3.335 14.753 1.00 0.00 O ATOM 1152 CB GLU A 81 -1.118 5.266 12.832 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.986 6.151 11.912 1.00 0.00 C ATOM 1154 CD GLU A 81 -3.339 6.526 12.488 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -3.398 7.370 13.410 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -4.370 5.985 12.044 1.00 0.00 O ATOM 0 H GLU A 81 -2.766 5.009 14.680 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.161 3.470 12.342 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.887 5.830 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.172 5.069 12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.437 7.065 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.140 5.629 10.968 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.669 1.786 13.307 1.00 0.00 N ATOM 1164 CA ILE A 82 0.196 0.731 13.779 1.00 0.00 C ATOM 1165 C ILE A 82 1.248 0.428 12.747 1.00 0.00 C ATOM 1166 O ILE A 82 0.932 0.046 11.615 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.622 -0.543 14.091 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.640 -0.243 15.189 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.289 -1.711 14.504 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.584 -1.372 15.456 1.00 0.00 C ATOM 0 H ILE A 82 -1.260 1.510 12.522 1.00 0.00 H new ATOM 0 HA ILE A 82 0.681 1.064 14.696 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.147 -0.844 13.184 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.108 0.000 16.109 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.214 0.641 14.909 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.320 -2.590 14.716 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.982 -1.936 13.693 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.852 -1.436 15.396 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.278 -1.087 16.247 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.143 -1.601 14.549 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.020 -2.252 15.767 1.00 0.00 H new ATOM 1182 N HIS A 83 2.479 0.606 13.133 1.00 0.00 N ATOM 1183 CA HIS A 83 3.604 0.396 12.243 1.00 0.00 C ATOM 1184 C HIS A 83 4.163 -0.967 12.502 1.00 0.00 C ATOM 1185 O HIS A 83 4.596 -1.261 13.610 1.00 0.00 O ATOM 1186 CB HIS A 83 4.734 1.422 12.488 1.00 0.00 C ATOM 1187 CG HIS A 83 4.326 2.864 12.469 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.369 3.662 13.583 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.887 3.649 11.476 1.00 0.00 C ATOM 1190 CE1 HIS A 83 3.964 4.869 13.280 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.668 4.885 12.006 1.00 0.00 N ATOM 0 H HIS A 83 2.740 0.901 14.074 1.00 0.00 H new ATOM 0 HA HIS A 83 3.248 0.507 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.190 1.207 13.454 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.504 1.273 11.731 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.735 3.357 10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.888 5.704 13.961 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.327 5.696 11.490 1.00 0.00 H new ATOM 1200 N MET A 84 4.108 -1.803 11.534 1.00 0.00 N ATOM 1201 CA MET A 84 4.718 -3.093 11.639 1.00 0.00 C ATOM 1202 C MET A 84 5.722 -3.215 10.545 1.00 0.00 C ATOM 1203 O MET A 84 5.625 -2.530 9.539 1.00 0.00 O ATOM 1204 CB MET A 84 3.727 -4.221 11.466 1.00 0.00 C ATOM 1205 CG MET A 84 2.540 -4.230 12.397 1.00 0.00 C ATOM 1206 SD MET A 84 1.524 -5.690 12.131 1.00 0.00 S ATOM 1207 CE MET A 84 1.476 -5.705 10.341 1.00 0.00 C ATOM 0 H MET A 84 3.642 -1.622 10.645 1.00 0.00 H new ATOM 0 HA MET A 84 5.158 -3.172 12.633 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.356 -4.193 10.442 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.261 -5.164 11.586 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.884 -4.205 13.431 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.942 -3.333 12.239 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.649 -6.331 10.004 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.335 -4.689 9.972 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.414 -6.104 9.955 1.00 0.00 H new ATOM 1217 N LYS A 85 6.646 -4.088 10.707 1.00 0.00 N ATOM 1218 CA LYS A 85 7.634 -4.338 9.707 1.00 0.00 C ATOM 1219 C LYS A 85 7.534 -5.781 9.422 1.00 0.00 C ATOM 1220 O LYS A 85 7.588 -6.583 10.334 1.00 0.00 O ATOM 1221 CB LYS A 85 9.026 -4.045 10.223 1.00 0.00 C ATOM 1222 CG LYS A 85 9.290 -2.647 10.690 1.00 0.00 C ATOM 1223 CD LYS A 85 9.507 -1.693 9.549 1.00 0.00 C ATOM 1224 CE LYS A 85 10.271 -0.496 10.036 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.547 0.494 8.967 1.00 0.00 N ATOM 0 H LYS A 85 6.745 -4.660 11.546 1.00 0.00 H new ATOM 0 HA LYS A 85 7.469 -3.709 8.832 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.232 -4.725 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.738 -4.280 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.449 -2.303 11.292 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.168 -2.642 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.056 -2.187 8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.548 -1.382 9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.707 -0.012 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.215 -0.827 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.076 1.296 9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.110 0.046 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.649 0.835 8.569 1.00 0.00 H new ATOM 1239 N THR A 86 7.322 -6.118 8.224 1.00 0.00 N ATOM 1240 CA THR A 86 7.192 -7.495 7.875 1.00 0.00 C ATOM 1241 C THR A 86 8.255 -7.876 6.867 1.00 0.00 C ATOM 1242 O THR A 86 8.691 -7.051 6.093 1.00 0.00 O ATOM 1243 CB THR A 86 5.780 -7.818 7.309 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.571 -7.167 6.038 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.694 -7.363 8.276 1.00 0.00 C ATOM 0 H THR A 86 7.231 -5.465 7.446 1.00 0.00 H new ATOM 0 HA THR A 86 7.325 -8.081 8.784 1.00 0.00 H new ATOM 0 HB THR A 86 5.723 -8.898 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.940 -6.260 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.714 -7.599 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.817 -7.877 9.229 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.773 -6.287 8.431 1.00 0.00 H new ATOM 1253 N MET A 87 8.686 -9.093 6.896 1.00 0.00 N ATOM 1254 CA MET A 87 9.651 -9.575 5.934 1.00 0.00 C ATOM 1255 C MET A 87 8.990 -10.715 5.211 1.00 0.00 C ATOM 1256 O MET A 87 7.990 -11.213 5.712 1.00 0.00 O ATOM 1257 CB MET A 87 10.926 -10.066 6.646 1.00 0.00 C ATOM 1258 CG MET A 87 11.637 -9.006 7.464 1.00 0.00 C ATOM 1259 SD MET A 87 13.155 -9.616 8.214 1.00 0.00 S ATOM 1260 CE MET A 87 14.182 -9.835 6.759 1.00 0.00 C ATOM 0 H MET A 87 8.388 -9.788 7.580 1.00 0.00 H new ATOM 0 HA MET A 87 9.949 -8.784 5.246 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.664 -10.897 7.301 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.618 -10.455 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.868 -8.154 6.825 1.00 0.00 H new ATOM 0 HG3 MET A 87 10.968 -8.646 8.246 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.228 -9.896 7.058 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.897 -10.754 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.046 -8.988 6.086 1.00 0.00 H new ATOM 1270 N PRO A 88 9.502 -11.179 4.054 1.00 0.00 N ATOM 1271 CA PRO A 88 8.913 -12.326 3.297 1.00 0.00 C ATOM 1272 C PRO A 88 9.110 -13.691 4.014 1.00 0.00 C ATOM 1273 O PRO A 88 9.175 -14.744 3.371 1.00 0.00 O ATOM 1274 CB PRO A 88 9.692 -12.307 1.967 1.00 0.00 C ATOM 1275 CG PRO A 88 10.338 -10.965 1.913 1.00 0.00 C ATOM 1276 CD PRO A 88 10.654 -10.617 3.332 1.00 0.00 C ATOM 0 HA PRO A 88 7.834 -12.222 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.435 -13.104 1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.025 -12.458 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.242 -10.989 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.672 -10.226 1.467 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.595 -11.059 3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.740 -9.540 3.478 1.00 0.00 H new ATOM 1284 N ALA A 89 9.190 -13.633 5.352 1.00 0.00 N ATOM 1285 CA ALA A 89 9.326 -14.785 6.257 1.00 0.00 C ATOM 1286 C ALA A 89 10.630 -15.568 6.065 1.00 0.00 C ATOM 1287 O ALA A 89 10.812 -16.643 6.635 1.00 0.00 O ATOM 1288 CB ALA A 89 8.096 -15.677 6.167 1.00 0.00 C ATOM 0 H ALA A 89 9.161 -12.746 5.854 1.00 0.00 H new ATOM 0 HA ALA A 89 9.389 -14.387 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.211 -16.525 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.211 -15.106 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.983 -16.039 5.145 1.00 0.00 H new ATOM 1294 N ALA A 90 11.536 -15.009 5.315 1.00 0.00 N ATOM 1295 CA ALA A 90 12.820 -15.606 5.106 1.00 0.00 C ATOM 1296 C ALA A 90 13.731 -15.124 6.205 1.00 0.00 C ATOM 1297 O ALA A 90 13.970 -15.875 7.165 1.00 0.00 O ATOM 1298 CB ALA A 90 13.366 -15.239 3.732 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.110 -13.932 6.192 1.00 0.00 O ATOM 0 H ALA A 90 11.402 -14.122 4.830 1.00 0.00 H new ATOM 0 HA ALA A 90 12.747 -16.693 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.343 -15.703 3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.682 -15.595 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.465 -14.156 3.657 1.00 0.00 H new TER 1305 ALA A 90