USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.27 K(o=1.3,f=-0.044) USER MOD Single : A 61 GLN : amide:sc= -1.03 K(o=-1,f=-0.037) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= -0.016 (180deg=-0.0184) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -178:sc= -0.0225 (180deg=-0.0545) USER MOD Single : A 84 SER OG : rot -160:sc= -0.0011 USER MOD Single : A 85 THR OG1 : rot 42:sc= 0.208 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -23.208 11.807 -12.354 1.00 0.00 N ATOM 2 CA PHE A 31 -22.340 10.952 -13.202 1.00 0.00 C ATOM 3 C PHE A 31 -21.532 9.988 -12.331 1.00 0.00 C ATOM 4 O PHE A 31 -21.382 10.244 -11.143 1.00 0.00 O ATOM 5 CB PHE A 31 -21.464 11.766 -14.170 1.00 0.00 C ATOM 6 CG PHE A 31 -20.855 13.058 -13.641 1.00 0.00 C ATOM 7 CD1 PHE A 31 -20.050 13.076 -12.480 1.00 0.00 C ATOM 8 CD2 PHE A 31 -21.059 14.259 -14.355 1.00 0.00 C ATOM 9 CE1 PHE A 31 -19.484 14.283 -12.030 1.00 0.00 C ATOM 10 CE2 PHE A 31 -20.477 15.462 -13.915 1.00 0.00 C ATOM 11 CZ PHE A 31 -19.689 15.474 -12.749 1.00 0.00 C ATOM 0 HA PHE A 31 -22.985 10.354 -13.846 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.651 11.124 -14.510 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.066 12.010 -15.046 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.869 12.161 -11.936 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -21.668 14.254 -15.247 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -18.889 14.295 -11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -20.635 16.374 -14.471 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.243 16.396 -12.407 1.00 0.00 H new ATOM 21 N ASN A 32 -20.967 8.910 -12.895 1.00 0.00 N ATOM 22 CA ASN A 32 -20.420 7.761 -12.133 1.00 0.00 C ATOM 23 C ASN A 32 -18.894 7.537 -12.270 1.00 0.00 C ATOM 24 O ASN A 32 -18.435 6.396 -12.320 1.00 0.00 O ATOM 25 CB ASN A 32 -21.226 6.496 -12.520 1.00 0.00 C ATOM 26 CG ASN A 32 -22.733 6.685 -12.452 1.00 0.00 C ATOM 27 OD1 ASN A 32 -23.267 7.238 -11.513 1.00 0.00 O ATOM 28 ND2 ASN A 32 -23.450 6.303 -13.473 1.00 0.00 N ATOM 0 H ASN A 32 -20.873 8.804 -13.905 1.00 0.00 H new ATOM 0 HA ASN A 32 -20.540 7.993 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -20.952 6.197 -13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.941 5.678 -11.858 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -24.456 6.469 -13.480 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -23.004 5.838 -14.264 1.00 0.00 H new ATOM 35 N VAL A 33 -18.106 8.613 -12.397 1.00 0.00 N ATOM 36 CA VAL A 33 -16.624 8.545 -12.425 1.00 0.00 C ATOM 37 C VAL A 33 -16.061 7.860 -11.162 1.00 0.00 C ATOM 38 O VAL A 33 -16.534 8.125 -10.062 1.00 0.00 O ATOM 39 CB VAL A 33 -16.020 9.951 -12.657 1.00 0.00 C ATOM 40 CG1 VAL A 33 -16.383 10.974 -11.570 1.00 0.00 C ATOM 41 CG2 VAL A 33 -14.495 9.904 -12.811 1.00 0.00 C ATOM 0 H VAL A 33 -18.471 9.561 -12.484 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.326 7.920 -13.267 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.473 10.287 -13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.922 11.933 -11.805 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.466 11.092 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -16.019 10.623 -10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.114 10.913 -12.972 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.051 9.488 -11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.235 9.277 -13.664 1.00 0.00 H new ATOM 51 N SER A 34 -15.079 6.962 -11.316 1.00 0.00 N ATOM 52 CA SER A 34 -14.514 6.160 -10.212 1.00 0.00 C ATOM 53 C SER A 34 -13.119 5.631 -10.571 1.00 0.00 C ATOM 54 O SER A 34 -12.940 5.017 -11.625 1.00 0.00 O ATOM 55 CB SER A 34 -15.445 4.979 -9.914 1.00 0.00 C ATOM 56 OG SER A 34 -14.931 4.207 -8.852 1.00 0.00 O ATOM 0 H SER A 34 -14.647 6.767 -12.219 1.00 0.00 H new ATOM 0 HA SER A 34 -14.424 6.799 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.439 5.346 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.554 4.359 -10.804 1.00 0.00 H new ATOM 0 HG SER A 34 -15.535 3.457 -8.670 1.00 0.00 H new ATOM 62 N ASN A 35 -12.133 5.856 -9.695 1.00 0.00 N ATOM 63 CA ASN A 35 -10.709 5.571 -9.915 1.00 0.00 C ATOM 64 C ASN A 35 -10.079 5.043 -8.610 1.00 0.00 C ATOM 65 O ASN A 35 -10.219 5.670 -7.560 1.00 0.00 O ATOM 66 CB ASN A 35 -9.975 6.868 -10.335 1.00 0.00 C ATOM 67 CG ASN A 35 -10.198 7.309 -11.777 1.00 0.00 C ATOM 68 OD1 ASN A 35 -9.860 6.612 -12.717 1.00 0.00 O ATOM 69 ND2 ASN A 35 -10.707 8.502 -12.004 1.00 0.00 N ATOM 0 H ASN A 35 -12.312 6.258 -8.775 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.615 4.823 -10.702 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.291 7.675 -9.673 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.906 6.727 -10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.816 8.836 -12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.993 9.092 -11.222 1.00 0.00 H new ATOM 76 N ALA A 36 -9.350 3.919 -8.665 1.00 0.00 N ATOM 77 CA ALA A 36 -8.646 3.327 -7.513 1.00 0.00 C ATOM 78 C ALA A 36 -7.595 4.255 -6.865 1.00 0.00 C ATOM 79 O ALA A 36 -7.328 4.142 -5.665 1.00 0.00 O ATOM 80 CB ALA A 36 -7.969 2.026 -7.970 1.00 0.00 C ATOM 0 H ALA A 36 -9.230 3.385 -9.525 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.397 3.146 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.443 1.575 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.725 1.333 -8.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.258 2.246 -8.766 1.00 0.00 H new ATOM 86 N GLU A 37 -7.018 5.159 -7.661 1.00 0.00 N ATOM 87 CA GLU A 37 -6.004 6.177 -7.319 1.00 0.00 C ATOM 88 C GLU A 37 -6.447 7.248 -6.282 1.00 0.00 C ATOM 89 O GLU A 37 -6.108 8.419 -6.427 1.00 0.00 O ATOM 90 CB GLU A 37 -5.483 6.832 -8.625 1.00 0.00 C ATOM 91 CG GLU A 37 -5.011 5.813 -9.685 1.00 0.00 C ATOM 92 CD GLU A 37 -3.897 6.374 -10.590 1.00 0.00 C ATOM 93 OE1 GLU A 37 -2.799 6.608 -10.073 1.00 0.00 O ATOM 94 OE2 GLU A 37 -4.131 6.503 -11.837 1.00 0.00 O ATOM 0 H GLU A 37 -7.266 5.207 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.203 5.645 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.274 7.448 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.656 7.499 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.650 4.914 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.860 5.516 -10.301 1.00 0.00 H new ATOM 101 N LEU A 38 -7.196 6.867 -5.240 1.00 0.00 N ATOM 102 CA LEU A 38 -7.634 7.758 -4.163 1.00 0.00 C ATOM 103 C LEU A 38 -7.480 7.103 -2.787 1.00 0.00 C ATOM 104 O LEU A 38 -6.866 7.691 -1.904 1.00 0.00 O ATOM 105 CB LEU A 38 -9.085 8.209 -4.448 1.00 0.00 C ATOM 106 CG LEU A 38 -9.534 9.542 -3.816 1.00 0.00 C ATOM 107 CD1 LEU A 38 -9.526 9.563 -2.285 1.00 0.00 C ATOM 108 CD2 LEU A 38 -8.687 10.714 -4.319 1.00 0.00 C ATOM 0 H LEU A 38 -7.521 5.908 -5.121 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.995 8.641 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.211 8.285 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.759 7.425 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.571 9.646 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.856 10.540 -1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.200 8.794 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.516 9.369 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.031 11.638 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.642 10.545 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.785 10.795 -5.402 1.00 0.00 H new ATOM 120 N ILE A 39 -7.933 5.858 -2.602 1.00 0.00 N ATOM 121 CA ILE A 39 -7.786 5.136 -1.324 1.00 0.00 C ATOM 122 C ILE A 39 -6.294 4.971 -0.995 1.00 0.00 C ATOM 123 O ILE A 39 -5.788 5.464 0.012 1.00 0.00 O ATOM 124 CB ILE A 39 -8.534 3.786 -1.368 1.00 0.00 C ATOM 125 CG1 ILE A 39 -10.048 4.073 -1.513 1.00 0.00 C ATOM 126 CG2 ILE A 39 -8.239 2.937 -0.112 1.00 0.00 C ATOM 127 CD1 ILE A 39 -10.934 2.829 -1.475 1.00 0.00 C ATOM 0 H ILE A 39 -8.410 5.321 -3.327 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.242 5.716 -0.522 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.188 3.204 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.355 4.747 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.218 4.596 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.781 1.993 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.169 2.737 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.558 3.480 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.978 3.123 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.658 2.161 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.799 2.315 -0.524 1.00 0.00 H new ATOM 139 N VAL A 40 -5.574 4.305 -1.900 1.00 0.00 N ATOM 140 CA VAL A 40 -4.132 4.004 -1.814 1.00 0.00 C ATOM 141 C VAL A 40 -3.240 5.253 -1.905 1.00 0.00 C ATOM 142 O VAL A 40 -2.113 5.247 -1.415 1.00 0.00 O ATOM 143 CB VAL A 40 -3.773 2.956 -2.892 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.493 1.617 -2.631 1.00 0.00 C ATOM 145 CG2 VAL A 40 -4.133 3.433 -4.313 1.00 0.00 C ATOM 0 H VAL A 40 -5.994 3.941 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.932 3.593 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.694 2.818 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.221 0.900 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.197 1.228 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.571 1.775 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.862 2.663 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.204 3.625 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.588 4.349 -4.538 1.00 0.00 H new ATOM 155 N MET A 41 -3.771 6.355 -2.449 1.00 0.00 N ATOM 156 CA MET A 41 -3.156 7.688 -2.420 1.00 0.00 C ATOM 157 C MET A 41 -3.301 8.384 -1.050 1.00 0.00 C ATOM 158 O MET A 41 -2.654 9.402 -0.808 1.00 0.00 O ATOM 159 CB MET A 41 -3.772 8.528 -3.556 1.00 0.00 C ATOM 160 CG MET A 41 -2.990 9.809 -3.865 1.00 0.00 C ATOM 161 SD MET A 41 -3.529 10.646 -5.379 1.00 0.00 S ATOM 162 CE MET A 41 -2.260 11.939 -5.459 1.00 0.00 C ATOM 0 H MET A 41 -4.667 6.343 -2.936 1.00 0.00 H new ATOM 0 HA MET A 41 -2.082 7.584 -2.574 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.827 7.919 -4.458 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.795 8.792 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.090 10.497 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.931 9.565 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.430 12.562 -6.337 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.312 12.555 -4.562 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.275 11.478 -5.526 1.00 0.00 H new ATOM 172 N ARG A 42 -4.104 7.842 -0.117 1.00 0.00 N ATOM 173 CA ARG A 42 -4.502 8.533 1.129 1.00 0.00 C ATOM 174 C ARG A 42 -4.233 7.767 2.426 1.00 0.00 C ATOM 175 O ARG A 42 -3.860 8.409 3.398 1.00 0.00 O ATOM 176 CB ARG A 42 -5.979 8.918 0.960 1.00 0.00 C ATOM 177 CG ARG A 42 -6.526 9.932 1.977 1.00 0.00 C ATOM 178 CD ARG A 42 -7.944 10.274 1.511 1.00 0.00 C ATOM 179 NE ARG A 42 -8.625 11.273 2.357 1.00 0.00 N ATOM 180 CZ ARG A 42 -9.806 11.792 2.082 1.00 0.00 C ATOM 181 NH1 ARG A 42 -10.483 11.420 1.033 1.00 0.00 N ATOM 182 NH2 ARG A 42 -10.399 12.603 2.910 1.00 0.00 N ATOM 0 H ARG A 42 -4.499 6.906 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.869 9.411 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.116 9.326 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.581 8.011 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.537 9.510 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.901 10.824 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.900 10.648 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.540 9.362 1.492 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.153 11.581 3.207 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.102 10.713 0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.394 11.835 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.950 12.849 3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.312 12.992 2.676 1.00 0.00 H new ATOM 196 N VAL A 43 -4.316 6.430 2.442 1.00 0.00 N ATOM 197 CA VAL A 43 -3.921 5.622 3.625 1.00 0.00 C ATOM 198 C VAL A 43 -2.509 5.972 4.116 1.00 0.00 C ATOM 199 O VAL A 43 -2.307 6.359 5.262 1.00 0.00 O ATOM 200 CB VAL A 43 -4.076 4.088 3.408 1.00 0.00 C ATOM 201 CG1 VAL A 43 -3.867 3.597 1.967 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.146 3.233 4.283 1.00 0.00 C ATOM 0 H VAL A 43 -4.652 5.876 1.654 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.627 5.894 4.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.120 3.952 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.998 2.516 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.595 4.074 1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.860 3.853 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.316 2.177 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.108 3.484 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.353 3.430 5.335 1.00 0.00 H new ATOM 212 N ILE A 44 -1.515 5.824 3.243 1.00 0.00 N ATOM 213 CA ILE A 44 -0.108 5.835 3.664 1.00 0.00 C ATOM 214 C ILE A 44 0.412 7.227 4.000 1.00 0.00 C ATOM 215 O ILE A 44 1.242 7.379 4.893 1.00 0.00 O ATOM 216 CB ILE A 44 0.750 5.159 2.585 1.00 0.00 C ATOM 217 CG1 ILE A 44 0.221 3.723 2.371 1.00 0.00 C ATOM 218 CG2 ILE A 44 2.226 5.172 3.013 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.807 3.046 1.132 1.00 0.00 C ATOM 0 H ILE A 44 -1.653 5.695 2.241 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.038 5.271 4.594 1.00 0.00 H new ATOM 0 HB ILE A 44 0.684 5.698 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.453 3.122 3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.865 3.752 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.832 4.691 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.558 6.202 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.337 4.632 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.396 2.041 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.552 3.627 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.891 2.987 1.228 1.00 0.00 H new ATOM 231 N TRP A 45 -0.115 8.231 3.302 1.00 0.00 N ATOM 232 CA TRP A 45 0.262 9.647 3.439 1.00 0.00 C ATOM 233 C TRP A 45 0.213 10.116 4.905 1.00 0.00 C ATOM 234 O TRP A 45 1.084 10.860 5.347 1.00 0.00 O ATOM 235 CB TRP A 45 -0.642 10.464 2.479 1.00 0.00 C ATOM 236 CG TRP A 45 -0.878 11.934 2.709 1.00 0.00 C ATOM 237 CD1 TRP A 45 -0.095 12.807 3.379 1.00 0.00 C ATOM 238 CD2 TRP A 45 -2.027 12.730 2.250 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.752 14.014 3.515 1.00 0.00 N ATOM 240 CE2 TRP A 45 -1.924 14.035 2.809 1.00 0.00 C ATOM 241 CE3 TRP A 45 -3.131 12.476 1.415 1.00 0.00 C ATOM 242 CZ2 TRP A 45 -2.901 15.028 2.598 1.00 0.00 C ATOM 243 CZ3 TRP A 45 -4.116 13.464 1.185 1.00 0.00 C ATOM 244 CH2 TRP A 45 -4.001 14.732 1.782 1.00 0.00 C ATOM 0 H TRP A 45 -0.841 8.082 2.601 1.00 0.00 H new ATOM 0 HA TRP A 45 1.302 9.803 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.224 10.359 1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.619 9.980 2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.896 12.593 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -0.406 14.794 4.073 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.228 11.510 0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.804 16.001 3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -4.960 13.244 0.548 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.762 15.479 1.611 1.00 0.00 H new ATOM 255 N SER A 46 -0.753 9.617 5.674 1.00 0.00 N ATOM 256 CA SER A 46 -0.930 10.004 7.090 1.00 0.00 C ATOM 257 C SER A 46 -0.009 9.261 8.067 1.00 0.00 C ATOM 258 O SER A 46 0.439 9.800 9.085 1.00 0.00 O ATOM 259 CB SER A 46 -2.392 9.814 7.481 1.00 0.00 C ATOM 260 OG SER A 46 -2.550 10.137 8.849 1.00 0.00 O ATOM 0 H SER A 46 -1.437 8.936 5.344 1.00 0.00 H new ATOM 0 HA SER A 46 -0.643 11.053 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.031 10.450 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.699 8.784 7.300 1.00 0.00 H new ATOM 0 HG SER A 46 -3.488 10.019 9.107 1.00 0.00 H new ATOM 266 N LEU A 47 0.216 7.981 7.767 1.00 0.00 N ATOM 267 CA LEU A 47 0.994 7.018 8.530 1.00 0.00 C ATOM 268 C LEU A 47 2.506 7.292 8.492 1.00 0.00 C ATOM 269 O LEU A 47 3.236 7.133 9.473 1.00 0.00 O ATOM 270 CB LEU A 47 0.688 5.685 7.849 1.00 0.00 C ATOM 271 CG LEU A 47 0.837 4.540 8.845 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.485 4.308 9.558 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.225 3.333 8.031 1.00 0.00 C ATOM 0 H LEU A 47 -0.172 7.565 6.920 1.00 0.00 H new ATOM 0 HA LEU A 47 0.730 7.052 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.325 5.698 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.364 5.535 7.007 1.00 0.00 H new ATOM 0 HG LEU A 47 1.585 4.754 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.376 3.489 10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.776 5.214 10.090 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.253 4.054 8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.348 2.474 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.445 3.121 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.164 3.530 7.513 1.00 0.00 H new ATOM 285 N GLY A 48 2.958 7.641 7.293 1.00 0.00 N ATOM 286 CA GLY A 48 4.327 8.023 6.960 1.00 0.00 C ATOM 287 C GLY A 48 5.054 6.906 6.225 1.00 0.00 C ATOM 288 O GLY A 48 5.423 7.064 5.066 1.00 0.00 O ATOM 0 H GLY A 48 2.344 7.667 6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.315 8.920 6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.869 8.272 7.872 1.00 0.00 H new ATOM 292 N GLU A 49 5.199 5.751 6.878 1.00 0.00 N ATOM 293 CA GLU A 49 5.875 4.588 6.303 1.00 0.00 C ATOM 294 C GLU A 49 5.168 3.288 6.725 1.00 0.00 C ATOM 295 O GLU A 49 5.128 2.894 7.893 1.00 0.00 O ATOM 296 CB GLU A 49 7.378 4.677 6.636 1.00 0.00 C ATOM 297 CG GLU A 49 7.833 4.315 8.060 1.00 0.00 C ATOM 298 CD GLU A 49 9.305 4.683 8.332 1.00 0.00 C ATOM 299 OE1 GLU A 49 10.096 4.751 7.357 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.705 4.835 9.509 1.00 0.00 O ATOM 0 H GLU A 49 4.849 5.596 7.824 1.00 0.00 H new ATOM 0 HA GLU A 49 5.810 4.578 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.911 4.028 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.704 5.697 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.196 4.828 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.696 3.245 8.219 1.00 0.00 H new ATOM 307 N ALA A 50 4.575 2.608 5.739 1.00 0.00 N ATOM 308 CA ALA A 50 3.640 1.510 5.967 1.00 0.00 C ATOM 309 C ALA A 50 4.271 0.130 5.744 1.00 0.00 C ATOM 310 O ALA A 50 4.942 -0.111 4.744 1.00 0.00 O ATOM 311 CB ALA A 50 2.429 1.723 5.052 1.00 0.00 C ATOM 0 H ALA A 50 4.734 2.809 4.752 1.00 0.00 H new ATOM 0 HA ALA A 50 3.335 1.520 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.713 0.915 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.956 2.676 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.755 1.730 4.012 1.00 0.00 H new ATOM 317 N ARG A 51 3.998 -0.801 6.660 1.00 0.00 N ATOM 318 CA ARG A 51 4.338 -2.222 6.534 1.00 0.00 C ATOM 319 C ARG A 51 3.336 -2.870 5.576 1.00 0.00 C ATOM 320 O ARG A 51 2.236 -2.365 5.354 1.00 0.00 O ATOM 321 CB ARG A 51 4.277 -2.914 7.914 1.00 0.00 C ATOM 322 CG ARG A 51 5.560 -2.785 8.747 1.00 0.00 C ATOM 323 CD ARG A 51 5.839 -1.373 9.273 1.00 0.00 C ATOM 324 NE ARG A 51 7.153 -1.349 9.948 1.00 0.00 N ATOM 325 CZ ARG A 51 8.026 -0.364 9.943 1.00 0.00 C ATOM 326 NH1 ARG A 51 7.764 0.801 9.420 1.00 0.00 N ATOM 327 NH2 ARG A 51 9.244 -0.607 10.314 1.00 0.00 N ATOM 0 H ARG A 51 3.521 -0.583 7.535 1.00 0.00 H new ATOM 0 HA ARG A 51 5.352 -2.329 6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.447 -2.493 8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.059 -3.972 7.767 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.498 -3.468 9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.406 -3.106 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.828 -0.658 8.450 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.056 -1.071 9.968 1.00 0.00 H new ATOM 0 HE ARG A 51 7.411 -2.184 10.474 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.854 0.976 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.469 1.538 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.511 -1.548 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.935 0.143 10.317 1.00 0.00 H new ATOM 341 N VAL A 52 3.657 -4.035 5.017 1.00 0.00 N ATOM 342 CA VAL A 52 2.765 -4.661 4.012 1.00 0.00 C ATOM 343 C VAL A 52 1.405 -5.154 4.519 1.00 0.00 C ATOM 344 O VAL A 52 0.427 -5.202 3.777 1.00 0.00 O ATOM 345 CB VAL A 52 3.446 -5.729 3.154 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.960 -5.738 3.341 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.889 -7.128 3.367 1.00 0.00 C ATOM 0 H VAL A 52 4.504 -4.563 5.228 1.00 0.00 H new ATOM 0 HA VAL A 52 2.537 -3.808 3.373 1.00 0.00 H new ATOM 0 HB VAL A 52 3.220 -5.445 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.400 -6.512 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.367 -4.767 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.196 -5.941 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.419 -7.832 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.020 -7.417 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.828 -7.139 3.118 1.00 0.00 H new ATOM 357 N ASP A 53 1.376 -5.542 5.782 1.00 0.00 N ATOM 358 CA ASP A 53 0.146 -5.838 6.514 1.00 0.00 C ATOM 359 C ASP A 53 -0.713 -4.562 6.673 1.00 0.00 C ATOM 360 O ASP A 53 -1.931 -4.606 6.539 1.00 0.00 O ATOM 361 CB ASP A 53 0.595 -6.525 7.818 1.00 0.00 C ATOM 362 CG ASP A 53 -0.311 -6.327 9.046 1.00 0.00 C ATOM 363 OD1 ASP A 53 -0.106 -5.339 9.791 1.00 0.00 O ATOM 364 OD2 ASP A 53 -1.147 -7.230 9.250 1.00 0.00 O ATOM 0 H ASP A 53 2.220 -5.664 6.342 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.528 -6.517 5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.682 -7.595 7.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.592 -6.163 8.068 1.00 0.00 H new ATOM 369 N GLU A 54 -0.077 -3.404 6.854 1.00 0.00 N ATOM 370 CA GLU A 54 -0.725 -2.107 7.139 1.00 0.00 C ATOM 371 C GLU A 54 -1.461 -1.497 5.921 1.00 0.00 C ATOM 372 O GLU A 54 -2.605 -1.037 5.989 1.00 0.00 O ATOM 373 CB GLU A 54 0.372 -1.124 7.590 1.00 0.00 C ATOM 374 CG GLU A 54 0.412 -0.739 9.085 1.00 0.00 C ATOM 375 CD GLU A 54 -0.784 0.048 9.660 1.00 0.00 C ATOM 376 OE1 GLU A 54 -1.810 0.209 8.972 1.00 0.00 O ATOM 377 OE2 GLU A 54 -0.663 0.492 10.834 1.00 0.00 O ATOM 0 H GLU A 54 0.939 -3.332 6.806 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.480 -2.279 7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.338 -1.554 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.263 -0.208 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.518 -1.656 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.313 -0.149 9.254 1.00 0.00 H new ATOM 384 N ILE A 55 -0.794 -1.506 4.763 1.00 0.00 N ATOM 385 CA ILE A 55 -1.358 -1.022 3.480 1.00 0.00 C ATOM 386 C ILE A 55 -2.669 -1.705 3.095 1.00 0.00 C ATOM 387 O ILE A 55 -3.553 -1.068 2.529 1.00 0.00 O ATOM 388 CB ILE A 55 -0.327 -1.157 2.341 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.234 -2.587 2.305 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.832 -0.189 2.581 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.486 -2.799 1.466 1.00 0.00 C ATOM 0 H ILE A 55 0.162 -1.851 4.679 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.591 0.032 3.633 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.820 -0.929 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.451 -2.895 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.545 -3.251 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.560 -0.286 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.453 0.833 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.311 -0.423 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.786 -3.846 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.279 -2.532 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.291 -2.171 1.848 1.00 0.00 H new ATOM 403 N TYR A 56 -2.779 -2.993 3.393 1.00 0.00 N ATOM 404 CA TYR A 56 -4.003 -3.765 3.333 1.00 0.00 C ATOM 405 C TYR A 56 -4.958 -3.522 4.496 1.00 0.00 C ATOM 406 O TYR A 56 -6.161 -3.469 4.266 1.00 0.00 O ATOM 407 CB TYR A 56 -3.541 -5.209 3.376 1.00 0.00 C ATOM 408 CG TYR A 56 -4.629 -6.252 3.386 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.734 -6.168 2.520 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.501 -7.329 4.274 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.723 -7.170 2.538 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.508 -8.313 4.327 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.614 -8.245 3.450 1.00 0.00 C ATOM 414 OH TYR A 56 -7.529 -9.254 3.443 1.00 0.00 O ATOM 0 H TYR A 56 -1.979 -3.548 3.696 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.564 -3.487 2.441 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.900 -5.390 2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.926 -5.346 4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.824 -5.334 1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.635 -7.404 4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.561 -7.118 1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.434 -9.121 5.040 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.299 -9.909 4.135 1.00 0.00 H new ATOM 424 N ALA A 57 -4.449 -3.371 5.720 1.00 0.00 N ATOM 425 CA ALA A 57 -5.285 -3.285 6.936 1.00 0.00 C ATOM 426 C ALA A 57 -6.323 -2.147 6.910 1.00 0.00 C ATOM 427 O ALA A 57 -7.348 -2.192 7.594 1.00 0.00 O ATOM 428 CB ALA A 57 -4.385 -3.110 8.161 1.00 0.00 C ATOM 0 H ALA A 57 -3.448 -3.304 5.904 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.848 -4.217 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.000 -3.046 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.711 -3.963 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.801 -2.196 8.056 1.00 0.00 H new ATOM 434 N GLN A 58 -6.048 -1.125 6.099 1.00 0.00 N ATOM 435 CA GLN A 58 -6.910 0.035 5.900 1.00 0.00 C ATOM 436 C GLN A 58 -8.118 -0.232 4.983 1.00 0.00 C ATOM 437 O GLN A 58 -8.997 0.618 4.859 1.00 0.00 O ATOM 438 CB GLN A 58 -6.027 1.155 5.328 1.00 0.00 C ATOM 439 CG GLN A 58 -5.746 2.241 6.364 1.00 0.00 C ATOM 440 CD GLN A 58 -5.009 1.778 7.607 1.00 0.00 C ATOM 441 OE1 GLN A 58 -5.397 2.070 8.729 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.906 1.086 7.450 1.00 0.00 N ATOM 0 H GLN A 58 -5.192 -1.083 5.546 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.349 0.311 6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.085 0.733 4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.518 1.598 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.163 3.030 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.694 2.684 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.585 0.844 6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.369 0.790 8.265 1.00 0.00 H new ATOM 451 N ILE A 59 -8.116 -1.369 4.286 1.00 0.00 N ATOM 452 CA ILE A 59 -9.047 -1.728 3.197 1.00 0.00 C ATOM 453 C ILE A 59 -10.192 -2.683 3.664 1.00 0.00 C ATOM 454 O ILE A 59 -9.963 -3.885 3.820 1.00 0.00 O ATOM 455 CB ILE A 59 -8.205 -2.311 2.044 1.00 0.00 C ATOM 456 CG1 ILE A 59 -7.070 -1.315 1.685 1.00 0.00 C ATOM 457 CG2 ILE A 59 -9.082 -2.605 0.825 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.262 -1.691 0.457 1.00 0.00 C ATOM 0 H ILE A 59 -7.435 -2.106 4.469 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.575 -0.839 2.853 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.763 -3.255 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.507 -0.329 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.395 -1.233 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.467 -3.015 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.852 -3.327 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.553 -1.683 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.493 -0.939 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.791 -2.661 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.921 -1.744 -0.410 1.00 0.00 H new ATOM 470 N PRO A 60 -11.437 -2.187 3.881 1.00 0.00 N ATOM 471 CA PRO A 60 -12.541 -2.941 4.500 1.00 0.00 C ATOM 472 C PRO A 60 -13.392 -3.803 3.540 1.00 0.00 C ATOM 473 O PRO A 60 -13.364 -3.655 2.315 1.00 0.00 O ATOM 474 CB PRO A 60 -13.424 -1.863 5.141 1.00 0.00 C ATOM 475 CG PRO A 60 -13.310 -0.717 4.142 1.00 0.00 C ATOM 476 CD PRO A 60 -11.835 -0.790 3.746 1.00 0.00 C ATOM 0 HA PRO A 60 -12.122 -3.671 5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.454 -2.198 5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.065 -1.578 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.970 -0.854 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.566 0.243 4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.691 -0.443 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.229 -0.151 4.388 1.00 0.00 H new ATOM 484 N GLN A 61 -14.224 -4.684 4.126 1.00 0.00 N ATOM 485 CA GLN A 61 -15.065 -5.644 3.378 1.00 0.00 C ATOM 486 C GLN A 61 -16.088 -5.040 2.397 1.00 0.00 C ATOM 487 O GLN A 61 -16.493 -5.729 1.467 1.00 0.00 O ATOM 488 CB GLN A 61 -15.753 -6.690 4.272 1.00 0.00 C ATOM 489 CG GLN A 61 -16.624 -6.062 5.362 1.00 0.00 C ATOM 490 CD GLN A 61 -16.055 -6.181 6.785 1.00 0.00 C ATOM 491 OE1 GLN A 61 -16.780 -6.161 7.764 1.00 0.00 O ATOM 492 NE2 GLN A 61 -14.762 -6.289 6.922 1.00 0.00 N ATOM 0 H GLN A 61 -14.334 -4.752 5.138 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.318 -6.141 2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.369 -7.341 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -14.994 -7.318 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.769 -5.007 5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -17.607 -6.531 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.161 -6.305 6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -14.352 -6.357 7.853 1.00 0.00 H new ATOM 501 N GLU A 62 -16.496 -3.776 2.571 1.00 0.00 N ATOM 502 CA GLU A 62 -17.476 -3.088 1.699 1.00 0.00 C ATOM 503 C GLU A 62 -17.034 -2.963 0.223 1.00 0.00 C ATOM 504 O GLU A 62 -17.866 -2.759 -0.654 1.00 0.00 O ATOM 505 CB GLU A 62 -17.783 -1.675 2.246 1.00 0.00 C ATOM 506 CG GLU A 62 -18.370 -1.655 3.672 1.00 0.00 C ATOM 507 CD GLU A 62 -18.915 -0.266 4.089 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.774 0.714 3.307 1.00 0.00 O ATOM 509 OE2 GLU A 62 -19.496 -0.165 5.202 1.00 0.00 O ATOM 0 H GLU A 62 -16.153 -3.188 3.331 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.365 -3.718 1.714 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.865 -1.088 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.483 -1.182 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.174 -2.388 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.600 -1.963 4.379 1.00 0.00 H new ATOM 516 N LEU A 63 -15.729 -3.069 -0.050 1.00 0.00 N ATOM 517 CA LEU A 63 -15.125 -2.888 -1.383 1.00 0.00 C ATOM 518 C LEU A 63 -15.034 -4.177 -2.205 1.00 0.00 C ATOM 519 O LEU A 63 -14.924 -4.148 -3.430 1.00 0.00 O ATOM 520 CB LEU A 63 -13.695 -2.378 -1.181 1.00 0.00 C ATOM 521 CG LEU A 63 -13.560 -1.158 -0.267 1.00 0.00 C ATOM 522 CD1 LEU A 63 -12.079 -0.842 -0.163 1.00 0.00 C ATOM 523 CD2 LEU A 63 -14.331 0.021 -0.824 1.00 0.00 C ATOM 0 H LEU A 63 -15.040 -3.290 0.669 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.765 -2.196 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.092 -3.188 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.274 -2.130 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.976 -1.366 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.936 0.025 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.553 -1.699 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.683 -0.625 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.220 0.876 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.943 0.277 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.386 -0.240 -0.906 1.00 0.00 H new ATOM 535 N GLU A 64 -15.013 -5.291 -1.476 1.00 0.00 N ATOM 536 CA GLU A 64 -14.909 -6.683 -1.956 1.00 0.00 C ATOM 537 C GLU A 64 -13.544 -7.052 -2.598 1.00 0.00 C ATOM 538 O GLU A 64 -13.486 -7.601 -3.705 1.00 0.00 O ATOM 539 CB GLU A 64 -16.124 -7.060 -2.828 1.00 0.00 C ATOM 540 CG GLU A 64 -17.471 -6.883 -2.109 1.00 0.00 C ATOM 541 CD GLU A 64 -18.647 -7.318 -2.991 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.573 -8.461 -3.542 1.00 0.00 O ATOM 543 OE2 GLU A 64 -19.608 -6.564 -3.159 1.00 0.00 O ATOM 0 H GLU A 64 -15.072 -5.250 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.937 -7.311 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.119 -6.447 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.025 -8.097 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.471 -7.467 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.597 -5.838 -1.824 1.00 0.00 H new ATOM 550 N TRP A 65 -12.430 -6.760 -1.903 1.00 0.00 N ATOM 551 CA TRP A 65 -11.057 -7.128 -2.314 1.00 0.00 C ATOM 552 C TRP A 65 -10.450 -8.231 -1.415 1.00 0.00 C ATOM 553 O TRP A 65 -10.780 -8.320 -0.231 1.00 0.00 O ATOM 554 CB TRP A 65 -10.127 -5.898 -2.224 1.00 0.00 C ATOM 555 CG TRP A 65 -10.402 -4.668 -3.044 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.539 -4.358 -3.712 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.502 -3.526 -3.259 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.427 -3.105 -4.280 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.201 -2.544 -4.025 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.177 -3.216 -2.881 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.628 -1.303 -4.362 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -7.581 -1.993 -3.252 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.312 -1.030 -3.968 1.00 0.00 C ATOM 0 H TRP A 65 -12.457 -6.250 -1.020 1.00 0.00 H new ATOM 0 HA TRP A 65 -11.131 -7.498 -3.337 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -10.104 -5.589 -1.179 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.122 -6.236 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.406 -4.997 -3.789 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -12.164 -2.653 -4.822 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.611 -3.927 -2.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.196 -0.571 -4.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -6.554 -1.795 -2.983 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -7.860 -0.081 -4.214 1.00 0.00 H new ATOM 574 N SER A 66 -9.481 -8.993 -1.938 1.00 0.00 N ATOM 575 CA SER A 66 -8.640 -9.933 -1.159 1.00 0.00 C ATOM 576 C SER A 66 -7.183 -9.438 -1.117 1.00 0.00 C ATOM 577 O SER A 66 -6.811 -8.560 -1.896 1.00 0.00 O ATOM 578 CB SER A 66 -8.729 -11.361 -1.733 1.00 0.00 C ATOM 579 OG SER A 66 -10.059 -11.857 -1.759 1.00 0.00 O ATOM 0 H SER A 66 -9.249 -8.979 -2.931 1.00 0.00 H new ATOM 0 HA SER A 66 -9.017 -9.967 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.323 -11.368 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.108 -12.028 -1.135 1.00 0.00 H new ATOM 0 HG SER A 66 -10.063 -12.763 -2.132 1.00 0.00 H new ATOM 585 N LEU A 67 -6.319 -9.974 -0.234 1.00 0.00 N ATOM 586 CA LEU A 67 -4.981 -9.459 0.033 1.00 0.00 C ATOM 587 C LEU A 67 -4.087 -9.334 -1.212 1.00 0.00 C ATOM 588 O LEU A 67 -3.385 -8.341 -1.397 1.00 0.00 O ATOM 589 CB LEU A 67 -4.341 -10.375 1.083 1.00 0.00 C ATOM 590 CG LEU A 67 -3.340 -9.697 2.034 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.210 -10.652 2.310 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.721 -8.378 1.586 1.00 0.00 C ATOM 0 H LEU A 67 -6.547 -10.798 0.323 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.077 -8.436 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.135 -10.824 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.831 -11.189 0.567 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.945 -9.446 2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.493 -10.182 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.603 -11.557 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.714 -10.909 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.037 -8.018 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.174 -8.530 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.509 -7.642 1.427 1.00 0.00 H new ATOM 604 N ALA A 68 -4.148 -10.318 -2.109 1.00 0.00 N ATOM 605 CA ALA A 68 -3.428 -10.259 -3.377 1.00 0.00 C ATOM 606 C ALA A 68 -3.745 -8.976 -4.172 1.00 0.00 C ATOM 607 O ALA A 68 -2.839 -8.409 -4.778 1.00 0.00 O ATOM 608 CB ALA A 68 -3.740 -11.525 -4.182 1.00 0.00 C ATOM 0 H ALA A 68 -4.693 -11.170 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.358 -10.218 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.207 -11.492 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.423 -12.402 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.812 -11.582 -4.369 1.00 0.00 H new ATOM 614 N THR A 69 -4.989 -8.474 -4.124 1.00 0.00 N ATOM 615 CA THR A 69 -5.457 -7.336 -4.930 1.00 0.00 C ATOM 616 C THR A 69 -4.800 -6.008 -4.559 1.00 0.00 C ATOM 617 O THR A 69 -4.311 -5.313 -5.447 1.00 0.00 O ATOM 618 CB THR A 69 -6.981 -7.152 -4.871 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.622 -8.370 -5.187 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.385 -6.060 -5.860 1.00 0.00 C ATOM 0 H THR A 69 -5.711 -8.855 -3.512 1.00 0.00 H new ATOM 0 HA THR A 69 -5.159 -7.600 -5.945 1.00 0.00 H new ATOM 0 HB THR A 69 -7.283 -6.857 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.594 -8.248 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.466 -5.921 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.890 -5.126 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.088 -6.353 -6.867 1.00 0.00 H new ATOM 628 N VAL A 70 -4.729 -5.629 -3.275 1.00 0.00 N ATOM 629 CA VAL A 70 -3.994 -4.421 -2.898 1.00 0.00 C ATOM 630 C VAL A 70 -2.539 -4.522 -3.321 1.00 0.00 C ATOM 631 O VAL A 70 -2.035 -3.603 -3.949 1.00 0.00 O ATOM 632 CB VAL A 70 -4.108 -4.081 -1.400 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.311 -4.959 -0.438 1.00 0.00 C ATOM 634 CG2 VAL A 70 -3.551 -2.682 -1.179 1.00 0.00 C ATOM 0 H VAL A 70 -5.161 -6.130 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.463 -3.596 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.167 -4.217 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.474 -4.619 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.639 -5.994 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.250 -4.891 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.624 -2.424 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.506 -2.653 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.124 -1.965 -1.768 1.00 0.00 H new ATOM 644 N LYS A 71 -1.874 -5.645 -3.032 1.00 0.00 N ATOM 645 CA LYS A 71 -0.439 -5.815 -3.288 1.00 0.00 C ATOM 646 C LYS A 71 -0.083 -5.628 -4.757 1.00 0.00 C ATOM 647 O LYS A 71 0.866 -4.904 -5.055 1.00 0.00 O ATOM 648 CB LYS A 71 0.020 -7.182 -2.777 1.00 0.00 C ATOM 649 CG LYS A 71 -0.017 -7.231 -1.253 1.00 0.00 C ATOM 650 CD LYS A 71 0.710 -8.496 -0.798 1.00 0.00 C ATOM 651 CE LYS A 71 0.687 -8.674 0.732 1.00 0.00 C ATOM 652 NZ LYS A 71 1.868 -9.420 1.241 1.00 0.00 N ATOM 0 H LYS A 71 -2.316 -6.463 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 71 0.091 -5.033 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.622 -7.962 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.032 -7.385 -3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.461 -6.346 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.047 -7.236 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.249 -9.365 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.744 -8.459 -1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.649 -7.694 1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.222 -9.202 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.810 -9.496 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.883 -10.373 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.738 -8.914 0.979 1.00 0.00 H new ATOM 666 N THR A 72 -0.876 -6.220 -5.653 1.00 0.00 N ATOM 667 CA THR A 72 -0.690 -5.985 -7.104 1.00 0.00 C ATOM 668 C THR A 72 -0.924 -4.527 -7.511 1.00 0.00 C ATOM 669 O THR A 72 -0.125 -3.963 -8.253 1.00 0.00 O ATOM 670 CB THR A 72 -1.506 -6.946 -7.996 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.346 -6.670 -9.369 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.008 -6.880 -7.788 1.00 0.00 C ATOM 0 H THR A 72 -1.640 -6.854 -5.417 1.00 0.00 H new ATOM 0 HA THR A 72 0.362 -6.208 -7.281 1.00 0.00 H new ATOM 0 HB THR A 72 -1.113 -7.920 -7.703 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.879 -7.303 -9.894 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.499 -7.588 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.244 -7.133 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.361 -5.872 -8.005 1.00 0.00 H new ATOM 680 N LEU A 73 -1.967 -3.883 -6.993 1.00 0.00 N ATOM 681 CA LEU A 73 -2.379 -2.547 -7.414 1.00 0.00 C ATOM 682 C LEU A 73 -1.335 -1.533 -6.914 1.00 0.00 C ATOM 683 O LEU A 73 -0.705 -0.792 -7.673 1.00 0.00 O ATOM 684 CB LEU A 73 -3.788 -2.405 -6.805 1.00 0.00 C ATOM 685 CG LEU A 73 -4.650 -1.188 -7.134 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.933 -1.332 -6.313 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.967 0.115 -6.742 1.00 0.00 C ATOM 0 H LEU A 73 -2.556 -4.279 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.429 -2.372 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.355 -3.290 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.676 -2.438 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.836 -1.151 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.589 -0.484 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.441 -2.256 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.685 -1.359 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.614 0.955 -6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.772 0.115 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.025 0.209 -7.282 1.00 0.00 H new ATOM 699 N LEU A 74 -1.070 -1.571 -5.612 1.00 0.00 N ATOM 700 CA LEU A 74 -0.087 -0.766 -4.935 1.00 0.00 C ATOM 701 C LEU A 74 1.302 -0.949 -5.539 1.00 0.00 C ATOM 702 O LEU A 74 1.965 0.035 -5.854 1.00 0.00 O ATOM 703 CB LEU A 74 -0.217 -1.180 -3.493 1.00 0.00 C ATOM 704 CG LEU A 74 0.724 -0.467 -2.538 1.00 0.00 C ATOM 705 CD1 LEU A 74 0.106 -0.704 -1.191 1.00 0.00 C ATOM 706 CD2 LEU A 74 2.082 -1.155 -2.472 1.00 0.00 C ATOM 0 H LEU A 74 -1.565 -2.199 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.246 0.307 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.243 -1.003 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.041 -2.253 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 74 0.859 0.572 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.714 -0.226 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.899 -0.283 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.054 -1.776 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.729 -0.617 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.954 -2.181 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.536 -1.160 -3.463 1.00 0.00 H new ATOM 718 N GLY A 75 1.694 -2.198 -5.785 1.00 0.00 N ATOM 719 CA GLY A 75 2.917 -2.578 -6.506 1.00 0.00 C ATOM 720 C GLY A 75 3.080 -1.951 -7.904 1.00 0.00 C ATOM 721 O GLY A 75 4.207 -1.783 -8.372 1.00 0.00 O ATOM 0 H GLY A 75 1.152 -3.006 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.778 -2.300 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.936 -3.663 -6.608 1.00 0.00 H new ATOM 725 N ARG A 76 1.978 -1.604 -8.576 1.00 0.00 N ATOM 726 CA ARG A 76 1.964 -0.841 -9.830 1.00 0.00 C ATOM 727 C ARG A 76 2.072 0.654 -9.559 1.00 0.00 C ATOM 728 O ARG A 76 2.747 1.337 -10.325 1.00 0.00 O ATOM 729 CB ARG A 76 0.710 -1.175 -10.639 1.00 0.00 C ATOM 730 CG ARG A 76 0.624 -2.664 -11.032 1.00 0.00 C ATOM 731 CD ARG A 76 1.178 -2.956 -12.438 1.00 0.00 C ATOM 732 NE ARG A 76 1.320 -4.410 -12.671 1.00 0.00 N ATOM 733 CZ ARG A 76 2.295 -5.039 -13.309 1.00 0.00 C ATOM 734 NH1 ARG A 76 3.231 -4.407 -13.960 1.00 0.00 N ATOM 735 NH2 ARG A 76 2.375 -6.334 -13.222 1.00 0.00 N ATOM 0 H ARG A 76 1.043 -1.853 -8.254 1.00 0.00 H new ATOM 0 HA ARG A 76 2.834 -1.127 -10.422 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.172 -0.907 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.694 -0.565 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.174 -3.258 -10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.416 -2.985 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.513 -2.529 -13.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.147 -2.471 -12.557 1.00 0.00 H new ATOM 0 HE ARG A 76 0.577 -4.999 -12.295 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.231 -3.387 -13.992 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.964 -4.932 -14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.692 -6.851 -12.668 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.120 -6.833 -13.708 1.00 0.00 H new ATOM 749 N LEU A 77 1.505 1.160 -8.454 1.00 0.00 N ATOM 750 CA LEU A 77 1.729 2.575 -8.082 1.00 0.00 C ATOM 751 C LEU A 77 3.207 2.882 -7.871 1.00 0.00 C ATOM 752 O LEU A 77 3.719 3.913 -8.312 1.00 0.00 O ATOM 753 CB LEU A 77 1.072 2.935 -6.752 1.00 0.00 C ATOM 754 CG LEU A 77 -0.352 2.431 -6.582 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.802 2.804 -5.183 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.241 2.913 -7.704 1.00 0.00 C ATOM 0 H LEU A 77 0.906 0.635 -7.817 1.00 0.00 H new ATOM 0 HA LEU A 77 1.305 3.142 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.682 2.535 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.073 4.020 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.414 1.346 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.823 2.457 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.142 2.337 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.764 3.887 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.253 2.536 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.257 4.003 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.855 2.548 -8.656 1.00 0.00 H new ATOM 768 N VAL A 78 3.854 1.949 -7.169 1.00 0.00 N ATOM 769 CA VAL A 78 5.299 2.023 -6.875 1.00 0.00 C ATOM 770 C VAL A 78 6.162 1.955 -8.156 1.00 0.00 C ATOM 771 O VAL A 78 7.275 2.475 -8.186 1.00 0.00 O ATOM 772 CB VAL A 78 5.814 1.138 -5.697 1.00 0.00 C ATOM 773 CG1 VAL A 78 4.786 0.541 -4.703 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.672 -0.045 -6.152 1.00 0.00 C ATOM 0 H VAL A 78 3.398 1.121 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 78 5.436 3.023 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 78 6.376 1.905 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.309 -0.046 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.237 1.348 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.088 -0.100 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.995 -0.616 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.087 -0.687 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.546 0.324 -6.688 1.00 0.00 H new ATOM 784 N LYS A 79 5.654 1.311 -9.221 1.00 0.00 N ATOM 785 CA LYS A 79 6.252 1.311 -10.572 1.00 0.00 C ATOM 786 C LYS A 79 5.963 2.570 -11.404 1.00 0.00 C ATOM 787 O LYS A 79 6.680 2.833 -12.363 1.00 0.00 O ATOM 788 CB LYS A 79 5.784 0.057 -11.331 1.00 0.00 C ATOM 789 CG LYS A 79 6.933 -0.879 -11.623 1.00 0.00 C ATOM 790 CD LYS A 79 7.570 -1.514 -10.380 1.00 0.00 C ATOM 791 CE LYS A 79 6.838 -2.815 -10.071 1.00 0.00 C ATOM 792 NZ LYS A 79 7.397 -3.954 -10.851 1.00 0.00 N ATOM 0 H LYS A 79 4.796 0.762 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 79 7.332 1.306 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.030 -0.465 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.309 0.353 -12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.579 -1.673 -12.280 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.701 -0.331 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.629 -1.707 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.506 -0.833 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.912 -3.031 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.778 -2.701 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.877 -4.824 -10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.303 -3.757 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.402 -4.078 -10.613 1.00 0.00 H new ATOM 806 N LYS A 80 4.878 3.274 -11.081 1.00 0.00 N ATOM 807 CA LYS A 80 4.566 4.640 -11.547 1.00 0.00 C ATOM 808 C LYS A 80 5.452 5.606 -10.733 1.00 0.00 C ATOM 809 O LYS A 80 6.643 5.371 -10.578 1.00 0.00 O ATOM 810 CB LYS A 80 3.035 4.911 -11.475 1.00 0.00 C ATOM 811 CG LYS A 80 2.227 4.479 -12.711 1.00 0.00 C ATOM 812 CD LYS A 80 2.541 5.333 -13.956 1.00 0.00 C ATOM 813 CE LYS A 80 1.514 5.119 -15.081 1.00 0.00 C ATOM 814 NZ LYS A 80 0.415 6.121 -15.067 1.00 0.00 N ATOM 0 H LYS A 80 4.158 2.900 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 80 4.801 4.788 -12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.633 4.397 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.880 5.978 -11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.439 3.433 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.163 4.549 -12.487 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.558 6.387 -13.677 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.537 5.085 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.024 5.162 -16.043 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.088 4.120 -14.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.244 5.925 -15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.094 6.065 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.813 7.075 -15.182 1.00 0.00 H new ATOM 828 N GLU A 81 4.917 6.708 -10.216 1.00 0.00 N ATOM 829 CA GLU A 81 5.695 7.741 -9.508 1.00 0.00 C ATOM 830 C GLU A 81 4.946 8.266 -8.260 1.00 0.00 C ATOM 831 O GLU A 81 5.126 9.398 -7.816 1.00 0.00 O ATOM 832 CB GLU A 81 6.034 8.837 -10.533 1.00 0.00 C ATOM 833 CG GLU A 81 7.330 9.588 -10.206 1.00 0.00 C ATOM 834 CD GLU A 81 7.369 10.915 -10.966 1.00 0.00 C ATOM 835 OE1 GLU A 81 6.562 11.806 -10.592 1.00 0.00 O ATOM 836 OE2 GLU A 81 8.157 11.078 -11.930 1.00 0.00 O ATOM 0 H GLU A 81 3.921 6.919 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 81 6.622 7.330 -9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.122 8.386 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.210 9.549 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.394 9.771 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.192 8.978 -10.477 1.00 0.00 H new ATOM 843 N MET A 82 4.032 7.442 -7.733 1.00 0.00 N ATOM 844 CA MET A 82 3.173 7.731 -6.580 1.00 0.00 C ATOM 845 C MET A 82 3.956 7.806 -5.265 1.00 0.00 C ATOM 846 O MET A 82 3.997 8.819 -4.571 1.00 0.00 O ATOM 847 CB MET A 82 2.149 6.580 -6.510 1.00 0.00 C ATOM 848 CG MET A 82 0.726 7.073 -6.484 1.00 0.00 C ATOM 849 SD MET A 82 0.235 8.146 -5.104 1.00 0.00 S ATOM 850 CE MET A 82 0.522 7.067 -3.675 1.00 0.00 C ATOM 0 H MET A 82 3.864 6.512 -8.118 1.00 0.00 H new ATOM 0 HA MET A 82 2.702 8.705 -6.708 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.287 5.923 -7.369 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.339 5.983 -5.618 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.540 7.613 -7.412 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.069 6.203 -6.484 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.228 7.586 -2.763 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.069 6.157 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.580 6.808 -3.621 1.00 0.00 H new ATOM 860 N LEU A 83 4.562 6.671 -4.931 1.00 0.00 N ATOM 861 CA LEU A 83 5.457 6.455 -3.793 1.00 0.00 C ATOM 862 C LEU A 83 6.456 5.314 -4.078 1.00 0.00 C ATOM 863 O LEU A 83 6.386 4.652 -5.111 1.00 0.00 O ATOM 864 CB LEU A 83 4.628 6.259 -2.500 1.00 0.00 C ATOM 865 CG LEU A 83 4.175 4.834 -2.123 1.00 0.00 C ATOM 866 CD1 LEU A 83 3.259 4.901 -0.912 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.435 4.092 -3.236 1.00 0.00 C ATOM 0 H LEU A 83 4.435 5.822 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 83 6.073 7.341 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.214 6.651 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.736 6.879 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 83 5.090 4.277 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.937 3.895 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.795 5.346 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.387 5.510 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.153 3.099 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.539 4.648 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.085 3.999 -4.106 1.00 0.00 H new ATOM 879 N SER A 84 7.340 5.058 -3.123 1.00 0.00 N ATOM 880 CA SER A 84 8.425 4.084 -3.235 1.00 0.00 C ATOM 881 C SER A 84 8.443 3.157 -2.032 1.00 0.00 C ATOM 882 O SER A 84 7.647 3.271 -1.098 1.00 0.00 O ATOM 883 CB SER A 84 9.785 4.778 -3.367 1.00 0.00 C ATOM 884 OG SER A 84 9.849 5.531 -4.550 1.00 0.00 O ATOM 0 H SER A 84 7.324 5.535 -2.221 1.00 0.00 H new ATOM 0 HA SER A 84 8.244 3.498 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.951 5.428 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.580 4.033 -3.362 1.00 0.00 H new ATOM 0 HG SER A 84 10.787 5.700 -4.780 1.00 0.00 H new ATOM 890 N THR A 85 9.312 2.157 -2.081 1.00 0.00 N ATOM 891 CA THR A 85 9.397 1.140 -1.038 1.00 0.00 C ATOM 892 C THR A 85 10.822 0.647 -0.822 1.00 0.00 C ATOM 893 O THR A 85 11.642 0.624 -1.737 1.00 0.00 O ATOM 894 CB THR A 85 8.402 0.015 -1.355 1.00 0.00 C ATOM 895 OG1 THR A 85 8.478 -1.069 -0.458 1.00 0.00 O ATOM 896 CG2 THR A 85 8.504 -0.561 -2.768 1.00 0.00 C ATOM 0 H THR A 85 9.978 2.026 -2.843 1.00 0.00 H new ATOM 0 HA THR A 85 9.116 1.581 -0.082 1.00 0.00 H new ATOM 0 HB THR A 85 7.446 0.529 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.576 -0.731 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.761 -1.348 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.323 0.229 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.501 -0.975 -2.921 1.00 0.00 H new ATOM 904 N GLU A 86 11.094 0.267 0.424 1.00 0.00 N ATOM 905 CA GLU A 86 12.396 -0.129 0.959 1.00 0.00 C ATOM 906 C GLU A 86 12.235 -1.376 1.846 1.00 0.00 C ATOM 907 O GLU A 86 11.118 -1.859 2.081 1.00 0.00 O ATOM 908 CB GLU A 86 13.034 1.039 1.750 1.00 0.00 C ATOM 909 CG GLU A 86 13.232 2.362 0.981 1.00 0.00 C ATOM 910 CD GLU A 86 14.254 2.317 -0.170 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.779 1.225 -0.487 1.00 0.00 O ATOM 912 OE2 GLU A 86 14.503 3.404 -0.753 1.00 0.00 O ATOM 0 H GLU A 86 10.363 0.224 1.134 1.00 0.00 H new ATOM 0 HA GLU A 86 13.063 -0.375 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.412 1.241 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.005 0.711 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.269 2.673 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.543 3.130 1.689 1.00 0.00 H new ATOM 919 N LYS A 87 13.348 -1.895 2.378 1.00 0.00 N ATOM 920 CA LYS A 87 13.432 -3.199 3.013 1.00 0.00 C ATOM 921 C LYS A 87 13.877 -3.139 4.478 1.00 0.00 C ATOM 922 O LYS A 87 14.903 -2.541 4.812 1.00 0.00 O ATOM 923 CB LYS A 87 14.441 -3.933 2.144 1.00 0.00 C ATOM 924 CG LYS A 87 14.556 -5.413 2.457 1.00 0.00 C ATOM 925 CD LYS A 87 15.784 -5.870 1.683 1.00 0.00 C ATOM 926 CE LYS A 87 15.803 -7.381 1.709 1.00 0.00 C ATOM 927 NZ LYS A 87 17.095 -7.905 1.205 1.00 0.00 N ATOM 0 H LYS A 87 14.238 -1.397 2.374 1.00 0.00 H new ATOM 0 HA LYS A 87 12.461 -3.691 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.161 -3.813 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.419 -3.468 2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.674 -5.585 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.664 -5.956 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.748 -5.505 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.692 -5.468 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.636 -7.733 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.987 -7.769 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.083 -8.945 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.240 -7.587 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.870 -7.552 1.802 1.00 0.00 H new ATOM 941 N GLU A 88 13.148 -3.878 5.310 1.00 0.00 N ATOM 942 CA GLU A 88 13.408 -4.047 6.752 1.00 0.00 C ATOM 943 C GLU A 88 13.451 -5.533 7.160 1.00 0.00 C ATOM 944 O GLU A 88 12.419 -6.133 7.477 1.00 0.00 O ATOM 945 CB GLU A 88 12.375 -3.233 7.566 1.00 0.00 C ATOM 946 CG GLU A 88 12.964 -1.944 8.156 1.00 0.00 C ATOM 947 CD GLU A 88 13.799 -2.218 9.418 1.00 0.00 C ATOM 948 OE1 GLU A 88 14.606 -3.179 9.419 1.00 0.00 O ATOM 949 OE2 GLU A 88 13.616 -1.493 10.428 1.00 0.00 O ATOM 0 H GLU A 88 12.329 -4.398 4.995 1.00 0.00 H new ATOM 0 HA GLU A 88 14.399 -3.655 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.531 -2.981 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.987 -3.853 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.587 -1.455 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.156 -1.254 8.399 1.00 0.00 H new ATOM 956 N GLY A 89 14.650 -6.139 7.112 1.00 0.00 N ATOM 957 CA GLY A 89 15.009 -7.489 7.607 1.00 0.00 C ATOM 958 C GLY A 89 14.389 -8.692 6.870 1.00 0.00 C ATOM 959 O GLY A 89 15.103 -9.611 6.444 1.00 0.00 O ATOM 0 H GLY A 89 15.455 -5.669 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.094 -7.588 7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.724 -7.552 8.657 1.00 0.00 H new ATOM 963 N ARG A 90 13.059 -8.674 6.696 1.00 0.00 N ATOM 964 CA ARG A 90 12.250 -9.647 5.927 1.00 0.00 C ATOM 965 C ARG A 90 11.036 -8.985 5.242 1.00 0.00 C ATOM 966 O ARG A 90 10.670 -9.412 4.155 1.00 0.00 O ATOM 967 CB ARG A 90 11.801 -10.838 6.818 1.00 0.00 C ATOM 968 CG ARG A 90 11.519 -12.119 5.989 1.00 0.00 C ATOM 969 CD ARG A 90 10.636 -13.194 6.656 1.00 0.00 C ATOM 970 NE ARG A 90 11.236 -13.842 7.844 1.00 0.00 N ATOM 971 CZ ARG A 90 10.878 -15.007 8.375 1.00 0.00 C ATOM 972 NH1 ARG A 90 10.015 -15.824 7.832 1.00 0.00 N ATOM 973 NH2 ARG A 90 11.382 -15.424 9.501 1.00 0.00 N ATOM 0 H ARG A 90 12.482 -7.941 7.109 1.00 0.00 H new ATOM 0 HA ARG A 90 12.894 -10.036 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.575 -11.049 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.903 -10.559 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.045 -11.822 5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.475 -12.575 5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.690 -12.737 6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.405 -13.963 5.919 1.00 0.00 H new ATOM 0 HE ARG A 90 12.001 -13.345 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.571 -15.582 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.785 -16.704 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.067 -14.853 9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.091 -16.322 9.888 1.00 0.00 H new ATOM 987 N LYS A 91 10.413 -7.952 5.840 1.00 0.00 N ATOM 988 CA LYS A 91 9.247 -7.240 5.273 1.00 0.00 C ATOM 989 C LYS A 91 9.633 -5.943 4.540 1.00 0.00 C ATOM 990 O LYS A 91 10.752 -5.444 4.620 1.00 0.00 O ATOM 991 CB LYS A 91 8.205 -6.987 6.388 1.00 0.00 C ATOM 992 CG LYS A 91 7.196 -8.148 6.504 1.00 0.00 C ATOM 993 CD LYS A 91 6.271 -7.953 7.711 1.00 0.00 C ATOM 994 CE LYS A 91 5.202 -9.066 7.782 1.00 0.00 C ATOM 995 NZ LYS A 91 4.696 -9.306 9.160 1.00 0.00 N ATOM 0 H LYS A 91 10.708 -7.582 6.743 1.00 0.00 H new ATOM 0 HA LYS A 91 8.803 -7.878 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.717 -6.854 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.670 -6.060 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.602 -8.211 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.732 -9.092 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.861 -7.953 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.783 -6.980 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.365 -8.799 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.624 -9.992 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.983 -10.063 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.485 -9.589 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.266 -8.434 9.529 1.00 0.00 H new ATOM 1009 N PHE A 92 8.662 -5.397 3.817 1.00 0.00 N ATOM 1010 CA PHE A 92 8.789 -4.132 3.092 1.00 0.00 C ATOM 1011 C PHE A 92 8.226 -2.973 3.904 1.00 0.00 C ATOM 1012 O PHE A 92 7.364 -3.164 4.767 1.00 0.00 O ATOM 1013 CB PHE A 92 8.014 -4.201 1.777 1.00 0.00 C ATOM 1014 CG PHE A 92 8.759 -4.973 0.739 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.791 -4.340 0.040 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.460 -6.322 0.511 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.496 -5.037 -0.944 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.197 -7.035 -0.453 1.00 0.00 C ATOM 1019 CZ PHE A 92 10.205 -6.390 -1.198 1.00 0.00 C ATOM 0 H PHE A 92 7.743 -5.828 3.714 1.00 0.00 H new ATOM 0 HA PHE A 92 9.851 -3.968 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.043 -4.666 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.823 -3.191 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 92 10.043 -3.313 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.673 -6.809 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.266 -4.536 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.989 -8.081 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.750 -6.930 -1.958 1.00 0.00 H new ATOM 1029 N VAL A 93 8.658 -1.773 3.527 1.00 0.00 N ATOM 1030 CA VAL A 93 8.157 -0.483 3.986 1.00 0.00 C ATOM 1031 C VAL A 93 7.853 0.392 2.777 1.00 0.00 C ATOM 1032 O VAL A 93 8.752 0.733 2.016 1.00 0.00 O ATOM 1033 CB VAL A 93 9.183 0.200 4.903 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.725 1.634 5.218 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.294 -0.617 6.205 1.00 0.00 C ATOM 0 H VAL A 93 9.414 -1.670 2.851 1.00 0.00 H new ATOM 0 HA VAL A 93 7.244 -0.634 4.562 1.00 0.00 H new ATOM 0 HB VAL A 93 10.154 0.246 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.456 2.115 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.637 2.200 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.757 1.605 5.718 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.019 -0.146 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.322 -0.653 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.620 -1.631 5.972 1.00 0.00 H new ATOM 1045 N TYR A 94 6.595 0.796 2.643 1.00 0.00 N ATOM 1046 CA TYR A 94 6.060 1.613 1.552 1.00 0.00 C ATOM 1047 C TYR A 94 5.894 3.070 2.038 1.00 0.00 C ATOM 1048 O TYR A 94 5.090 3.331 2.936 1.00 0.00 O ATOM 1049 CB TYR A 94 4.725 0.969 1.124 1.00 0.00 C ATOM 1050 CG TYR A 94 4.856 -0.441 0.566 1.00 0.00 C ATOM 1051 CD1 TYR A 94 5.116 -0.626 -0.805 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.703 -1.567 1.401 1.00 0.00 C ATOM 1053 CE1 TYR A 94 5.262 -1.923 -1.334 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.789 -2.869 0.863 1.00 0.00 C ATOM 1055 CZ TYR A 94 5.101 -3.047 -0.500 1.00 0.00 C ATOM 1056 OH TYR A 94 5.227 -4.305 -1.002 1.00 0.00 O ATOM 0 H TYR A 94 5.880 0.551 3.328 1.00 0.00 H new ATOM 0 HA TYR A 94 6.728 1.649 0.692 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.055 0.945 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.255 1.602 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.204 0.232 -1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.519 -1.433 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.498 -2.056 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.616 -3.728 1.495 1.00 0.00 H new ATOM 0 HH TYR A 94 5.085 -4.959 -0.286 1.00 0.00 H new ATOM 1066 N ARG A 95 6.678 4.009 1.489 1.00 0.00 N ATOM 1067 CA ARG A 95 6.786 5.424 1.927 1.00 0.00 C ATOM 1068 C ARG A 95 7.018 6.438 0.778 1.00 0.00 C ATOM 1069 O ARG A 95 7.460 6.054 -0.308 1.00 0.00 O ATOM 1070 CB ARG A 95 7.911 5.527 2.977 1.00 0.00 C ATOM 1071 CG ARG A 95 9.310 5.145 2.453 1.00 0.00 C ATOM 1072 CD ARG A 95 10.390 6.131 2.914 1.00 0.00 C ATOM 1073 NE ARG A 95 10.644 6.105 4.368 1.00 0.00 N ATOM 1074 CZ ARG A 95 11.676 6.690 4.955 1.00 0.00 C ATOM 1075 NH1 ARG A 95 12.457 7.536 4.334 1.00 0.00 N ATOM 1076 NH2 ARG A 95 11.916 6.468 6.214 1.00 0.00 N ATOM 0 H ARG A 95 7.283 3.803 0.694 1.00 0.00 H new ATOM 0 HA ARG A 95 5.821 5.701 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.945 6.548 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.664 4.882 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.564 4.143 2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.292 5.112 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.319 5.908 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.094 7.140 2.625 1.00 0.00 H new ATOM 0 HE ARG A 95 9.981 5.603 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.282 7.769 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.241 7.963 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.310 5.844 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.711 6.918 6.669 1.00 0.00 H new ATOM 1090 N PRO A 96 6.720 7.743 0.971 1.00 0.00 N ATOM 1091 CA PRO A 96 7.043 8.812 0.013 1.00 0.00 C ATOM 1092 C PRO A 96 8.520 9.259 0.077 1.00 0.00 C ATOM 1093 O PRO A 96 9.279 8.834 0.947 1.00 0.00 O ATOM 1094 CB PRO A 96 6.086 9.957 0.378 1.00 0.00 C ATOM 1095 CG PRO A 96 5.973 9.823 1.896 1.00 0.00 C ATOM 1096 CD PRO A 96 6.010 8.310 2.113 1.00 0.00 C ATOM 0 HA PRO A 96 6.917 8.471 -1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.485 10.928 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.118 9.849 -0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 96 6.795 10.324 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.049 10.262 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.518 8.065 3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.001 7.904 2.183 1.00 0.00 H new ATOM 1104 N LEU A 97 8.904 10.144 -0.850 1.00 0.00 N ATOM 1105 CA LEU A 97 10.281 10.617 -1.083 1.00 0.00 C ATOM 1106 C LEU A 97 10.423 12.135 -1.337 1.00 0.00 C ATOM 1107 O LEU A 97 11.297 12.592 -2.069 1.00 0.00 O ATOM 1108 CB LEU A 97 10.911 9.714 -2.119 1.00 0.00 C ATOM 1109 CG LEU A 97 10.040 9.413 -3.330 1.00 0.00 C ATOM 1110 CD1 LEU A 97 9.720 10.674 -4.121 1.00 0.00 C ATOM 1111 CD2 LEU A 97 10.854 8.423 -4.108 1.00 0.00 C ATOM 0 H LEU A 97 8.235 10.572 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 97 10.850 10.531 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.838 10.173 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.180 8.772 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 97 9.059 9.017 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.097 10.418 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.187 11.379 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.647 11.130 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.313 8.136 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.808 8.873 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.034 7.539 -3.496 1.00 0.00 H new ATOM 1123 N MET A 98 9.516 12.917 -0.764 1.00 0.00 N ATOM 1124 CA MET A 98 9.547 14.406 -0.766 1.00 0.00 C ATOM 1125 C MET A 98 10.343 14.943 0.457 1.00 0.00 C ATOM 1126 O MET A 98 10.426 14.288 1.497 1.00 0.00 O ATOM 1127 CB MET A 98 8.091 14.914 -0.709 1.00 0.00 C ATOM 1128 CG MET A 98 7.324 14.530 0.565 1.00 0.00 C ATOM 1129 SD MET A 98 5.538 14.852 0.498 1.00 0.00 S ATOM 1130 CE MET A 98 5.058 14.331 2.165 1.00 0.00 C ATOM 0 H MET A 98 8.709 12.539 -0.267 1.00 0.00 H new ATOM 0 HA MET A 98 10.042 14.762 -1.669 1.00 0.00 H new ATOM 0 HB2 MET A 98 8.096 16.000 -0.799 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.551 14.525 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.482 13.470 0.763 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.747 15.077 1.407 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.984 14.464 2.293 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.313 13.281 2.305 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.588 14.934 2.902 1.00 0.00 H new ATOM 1140 N GLU A 99 10.911 16.150 0.317 1.00 0.00 N ATOM 1141 CA GLU A 99 11.874 16.780 1.245 1.00 0.00 C ATOM 1142 C GLU A 99 11.573 18.245 1.534 1.00 0.00 C ATOM 1143 O GLU A 99 10.970 18.896 0.645 1.00 0.00 O ATOM 1144 CB GLU A 99 13.346 16.614 0.766 1.00 0.00 C ATOM 1145 CG GLU A 99 13.916 15.185 1.034 1.00 0.00 C ATOM 1146 CD GLU A 99 15.450 15.114 0.947 1.00 0.00 C ATOM 1147 OE1 GLU A 99 16.094 16.003 1.548 1.00 0.00 O ATOM 1148 OE2 GLU A 99 16.024 14.164 0.360 1.00 0.00 O ATOM 0 H GLU A 99 10.704 16.746 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 99 11.753 16.240 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.401 16.827 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.972 17.350 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.600 14.855 2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.486 14.489 0.314 1.00 0.00 H new TER 1155 GLU A 99