USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=13 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= -0.108 K(o=-0.11,f=-4.4!) 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= 0.616 K(o=0.62,f=-0.0015) USER MOD Single : A 61 GLN : amide:sc= -0.0377 K(o=-0.038,f=-2.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.121 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -165:sc= -0.0247 (180deg=-0.213) USER MOD Single : A 82 MET CE :methyl 176:sc= 0 (180deg=-0.0148) USER MOD Single : A 84 SER OG : rot -150:sc= 0 USER MOD Single : A 85 THR OG1 : rot 152:sc= 0.374 USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= 0.053 (180deg=-0.134) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.261) 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 -23.822 11.840 -11.575 1.00 0.00 N ATOM 2 CA PHE A 31 -23.573 10.403 -11.364 1.00 0.00 C ATOM 3 C PHE A 31 -22.142 10.261 -10.857 1.00 0.00 C ATOM 4 O PHE A 31 -21.238 10.719 -11.544 1.00 0.00 O ATOM 5 CB PHE A 31 -23.801 9.648 -12.684 1.00 0.00 C ATOM 6 CG PHE A 31 -23.788 8.133 -12.592 1.00 0.00 C ATOM 7 CD1 PHE A 31 -22.568 7.430 -12.584 1.00 0.00 C ATOM 8 CD2 PHE A 31 -25.003 7.417 -12.569 1.00 0.00 C ATOM 9 CE1 PHE A 31 -22.562 6.025 -12.545 1.00 0.00 C ATOM 10 CE2 PHE A 31 -24.996 6.010 -12.546 1.00 0.00 C ATOM 11 CZ PHE A 31 -23.775 5.315 -12.534 1.00 0.00 C ATOM 0 HA PHE A 31 -24.255 9.974 -10.630 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -24.760 9.959 -13.097 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.033 9.956 -13.394 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -21.634 7.972 -12.608 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -25.942 7.950 -12.569 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -21.624 5.490 -12.523 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.928 5.465 -12.538 1.00 0.00 H new ATOM 0 HZ PHE A 31 -23.768 4.235 -12.516 1.00 0.00 H new ATOM 21 N ASN A 32 -21.929 9.712 -9.660 1.00 0.00 N ATOM 22 CA ASN A 32 -20.583 9.530 -9.091 1.00 0.00 C ATOM 23 C ASN A 32 -19.897 8.245 -9.601 1.00 0.00 C ATOM 24 O ASN A 32 -20.556 7.331 -10.095 1.00 0.00 O ATOM 25 CB ASN A 32 -20.682 9.541 -7.552 1.00 0.00 C ATOM 26 CG ASN A 32 -19.702 10.535 -6.945 1.00 0.00 C ATOM 27 OD1 ASN A 32 -19.899 11.734 -7.046 1.00 0.00 O ATOM 28 ND2 ASN A 32 -18.646 10.086 -6.314 1.00 0.00 N ATOM 0 H ASN A 32 -22.680 9.380 -9.055 1.00 0.00 H new ATOM 0 HA ASN A 32 -19.954 10.357 -9.422 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -21.698 9.798 -7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.478 8.543 -7.165 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.981 10.741 -5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.489 9.081 -6.234 1.00 0.00 H new ATOM 35 N VAL A 33 -18.579 8.141 -9.400 1.00 0.00 N ATOM 36 CA VAL A 33 -17.744 6.965 -9.727 1.00 0.00 C ATOM 37 C VAL A 33 -16.638 6.791 -8.671 1.00 0.00 C ATOM 38 O VAL A 33 -16.457 7.674 -7.834 1.00 0.00 O ATOM 39 CB VAL A 33 -17.109 7.086 -11.135 1.00 0.00 C ATOM 40 CG1 VAL A 33 -18.141 7.088 -12.271 1.00 0.00 C ATOM 41 CG2 VAL A 33 -16.231 8.337 -11.284 1.00 0.00 C ATOM 0 H VAL A 33 -18.037 8.901 -8.989 1.00 0.00 H new ATOM 0 HA VAL A 33 -18.393 6.090 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.491 6.192 -11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -17.628 7.175 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.710 6.158 -12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.819 7.932 -12.145 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.812 8.370 -12.290 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.835 9.228 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.421 8.302 -10.555 1.00 0.00 H new ATOM 51 N SER A 34 -15.871 5.698 -8.723 1.00 0.00 N ATOM 52 CA SER A 34 -14.664 5.486 -7.904 1.00 0.00 C ATOM 53 C SER A 34 -13.576 4.729 -8.687 1.00 0.00 C ATOM 54 O SER A 34 -13.844 4.122 -9.727 1.00 0.00 O ATOM 55 CB SER A 34 -15.032 4.776 -6.590 1.00 0.00 C ATOM 56 OG SER A 34 -15.598 3.504 -6.816 1.00 0.00 O ATOM 0 H SER A 34 -16.072 4.917 -9.347 1.00 0.00 H new ATOM 0 HA SER A 34 -14.242 6.459 -7.652 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.140 4.671 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.736 5.392 -6.030 1.00 0.00 H new ATOM 0 HG SER A 34 -15.816 3.086 -5.957 1.00 0.00 H new ATOM 62 N ASN A 35 -12.323 4.802 -8.220 1.00 0.00 N ATOM 63 CA ASN A 35 -11.121 4.218 -8.835 1.00 0.00 C ATOM 64 C ASN A 35 -10.130 3.821 -7.708 1.00 0.00 C ATOM 65 O ASN A 35 -10.374 4.130 -6.543 1.00 0.00 O ATOM 66 CB ASN A 35 -10.546 5.254 -9.837 1.00 0.00 C ATOM 67 CG ASN A 35 -9.345 4.782 -10.652 1.00 0.00 C ATOM 68 OD1 ASN A 35 -8.212 4.767 -10.189 1.00 0.00 O ATOM 69 ND2 ASN A 35 -9.519 4.393 -11.897 1.00 0.00 N ATOM 0 H ASN A 35 -12.107 5.297 -7.355 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.337 3.308 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.339 5.546 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.259 6.148 -9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.720 4.088 -12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.453 4.396 -12.306 1.00 0.00 H new ATOM 76 N ALA A 36 -9.034 3.120 -8.029 1.00 0.00 N ATOM 77 CA ALA A 36 -7.969 2.796 -7.071 1.00 0.00 C ATOM 78 C ALA A 36 -7.240 4.031 -6.507 1.00 0.00 C ATOM 79 O ALA A 36 -6.777 3.983 -5.364 1.00 0.00 O ATOM 80 CB ALA A 36 -6.969 1.849 -7.748 1.00 0.00 C ATOM 0 H ALA A 36 -8.861 2.760 -8.967 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.441 2.318 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.172 1.600 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.481 0.937 -8.054 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.542 2.337 -8.624 1.00 0.00 H new ATOM 86 N GLU A 37 -7.113 5.129 -7.266 1.00 0.00 N ATOM 87 CA GLU A 37 -6.646 6.401 -6.695 1.00 0.00 C ATOM 88 C GLU A 37 -7.694 6.977 -5.711 1.00 0.00 C ATOM 89 O GLU A 37 -8.814 6.481 -5.594 1.00 0.00 O ATOM 90 CB GLU A 37 -6.233 7.398 -7.795 1.00 0.00 C ATOM 91 CG GLU A 37 -7.394 8.129 -8.478 1.00 0.00 C ATOM 92 CD GLU A 37 -6.935 8.874 -9.742 1.00 0.00 C ATOM 93 OE1 GLU A 37 -5.984 9.695 -9.688 1.00 0.00 O ATOM 94 OE2 GLU A 37 -7.556 8.614 -10.801 1.00 0.00 O ATOM 0 H GLU A 37 -7.324 5.163 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.743 6.210 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.563 8.139 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.664 6.862 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.171 7.411 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.838 8.838 -7.779 1.00 0.00 H new ATOM 101 N LEU A 38 -7.338 8.025 -4.963 1.00 0.00 N ATOM 102 CA LEU A 38 -8.137 8.590 -3.855 1.00 0.00 C ATOM 103 C LEU A 38 -8.283 7.661 -2.624 1.00 0.00 C ATOM 104 O LEU A 38 -8.173 8.137 -1.492 1.00 0.00 O ATOM 105 CB LEU A 38 -9.494 9.064 -4.419 1.00 0.00 C ATOM 106 CG LEU A 38 -10.192 10.190 -3.647 1.00 0.00 C ATOM 107 CD1 LEU A 38 -9.427 11.510 -3.772 1.00 0.00 C ATOM 108 CD2 LEU A 38 -11.583 10.375 -4.258 1.00 0.00 C ATOM 0 H LEU A 38 -6.461 8.524 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.591 9.442 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.341 9.396 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.167 8.207 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.241 9.923 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.949 12.287 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.421 11.387 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.366 11.797 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.109 11.171 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.486 10.640 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.146 9.446 -4.168 1.00 0.00 H new ATOM 120 N ILE A 39 -8.466 6.346 -2.808 1.00 0.00 N ATOM 121 CA ILE A 39 -8.540 5.320 -1.752 1.00 0.00 C ATOM 122 C ILE A 39 -7.178 5.191 -1.041 1.00 0.00 C ATOM 123 O ILE A 39 -7.000 5.681 0.075 1.00 0.00 O ATOM 124 CB ILE A 39 -9.062 3.986 -2.343 1.00 0.00 C ATOM 125 CG1 ILE A 39 -10.489 4.223 -2.894 1.00 0.00 C ATOM 126 CG2 ILE A 39 -9.052 2.856 -1.291 1.00 0.00 C ATOM 127 CD1 ILE A 39 -11.191 2.964 -3.401 1.00 0.00 C ATOM 0 H ILE A 39 -8.572 5.947 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.257 5.619 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.402 3.664 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.098 4.672 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.435 4.946 -3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.425 1.936 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.034 2.699 -0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.691 3.134 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.184 3.224 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.609 2.524 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.282 2.245 -2.587 1.00 0.00 H new ATOM 139 N VAL A 40 -6.174 4.609 -1.715 1.00 0.00 N ATOM 140 CA VAL A 40 -4.794 4.476 -1.187 1.00 0.00 C ATOM 141 C VAL A 40 -4.117 5.836 -0.914 1.00 0.00 C ATOM 142 O VAL A 40 -3.226 5.941 -0.074 1.00 0.00 O ATOM 143 CB VAL A 40 -3.909 3.615 -2.114 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.500 2.207 -2.285 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.700 4.229 -3.507 1.00 0.00 C ATOM 0 H VAL A 40 -6.290 4.213 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.894 3.968 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.938 3.567 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.858 1.620 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.566 1.719 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.496 2.281 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.069 3.571 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.665 4.351 -3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.218 5.201 -3.407 1.00 0.00 H new ATOM 155 N MET A 41 -4.581 6.870 -1.613 1.00 0.00 N ATOM 156 CA MET A 41 -4.051 8.244 -1.642 1.00 0.00 C ATOM 157 C MET A 41 -4.196 9.016 -0.321 1.00 0.00 C ATOM 158 O MET A 41 -3.773 10.168 -0.242 1.00 0.00 O ATOM 159 CB MET A 41 -4.762 8.977 -2.790 1.00 0.00 C ATOM 160 CG MET A 41 -3.979 10.142 -3.399 1.00 0.00 C ATOM 161 SD MET A 41 -4.840 10.872 -4.820 1.00 0.00 S ATOM 162 CE MET A 41 -3.552 12.009 -5.404 1.00 0.00 C ATOM 0 H MET A 41 -5.395 6.769 -2.219 1.00 0.00 H new ATOM 0 HA MET A 41 -2.973 8.189 -1.797 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.984 8.257 -3.578 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.717 9.353 -2.424 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.819 10.908 -2.640 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.995 9.793 -3.712 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.912 12.547 -6.281 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.311 12.721 -4.615 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.659 11.443 -5.667 1.00 0.00 H new ATOM 172 N ARG A 42 -4.765 8.413 0.734 1.00 0.00 N ATOM 173 CA ARG A 42 -4.827 9.016 2.076 1.00 0.00 C ATOM 174 C ARG A 42 -4.252 8.128 3.183 1.00 0.00 C ATOM 175 O ARG A 42 -3.495 8.642 3.999 1.00 0.00 O ATOM 176 CB ARG A 42 -6.256 9.503 2.377 1.00 0.00 C ATOM 177 CG ARG A 42 -7.350 8.426 2.285 1.00 0.00 C ATOM 178 CD ARG A 42 -8.708 9.062 2.579 1.00 0.00 C ATOM 179 NE ARG A 42 -9.811 8.089 2.532 1.00 0.00 N ATOM 180 CZ ARG A 42 -10.631 7.897 1.518 1.00 0.00 C ATOM 181 NH1 ARG A 42 -10.376 8.210 0.276 1.00 0.00 N ATOM 182 NH2 ARG A 42 -11.799 7.395 1.763 1.00 0.00 N ATOM 0 H ARG A 42 -5.197 7.490 0.681 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.168 9.884 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.273 9.930 3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.502 10.307 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.353 7.977 1.292 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.149 7.625 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.681 9.528 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.897 9.856 1.856 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.954 7.510 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.483 8.638 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.069 8.026 -0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.063 7.160 2.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.456 7.235 0.999 1.00 0.00 H new ATOM 196 N VAL A 43 -4.530 6.818 3.172 1.00 0.00 N ATOM 197 CA VAL A 43 -4.091 5.855 4.209 1.00 0.00 C ATOM 198 C VAL A 43 -2.603 5.994 4.516 1.00 0.00 C ATOM 199 O VAL A 43 -2.226 6.294 5.646 1.00 0.00 O ATOM 200 CB VAL A 43 -4.489 4.386 3.875 1.00 0.00 C ATOM 201 CG1 VAL A 43 -4.645 4.085 2.382 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.518 3.317 4.409 1.00 0.00 C ATOM 0 H VAL A 43 -5.077 6.382 2.430 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.632 6.113 5.120 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.451 4.322 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.923 3.039 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.422 4.723 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.701 4.278 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.877 2.327 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.528 3.479 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.461 3.388 5.495 1.00 0.00 H new ATOM 212 N ILE A 44 -1.766 5.816 3.494 1.00 0.00 N ATOM 213 CA ILE A 44 -0.306 5.790 3.652 1.00 0.00 C ATOM 214 C ILE A 44 0.241 7.184 3.924 1.00 0.00 C ATOM 215 O ILE A 44 1.069 7.392 4.810 1.00 0.00 O ATOM 216 CB ILE A 44 0.310 5.231 2.356 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.195 3.791 2.158 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.845 5.311 2.422 1.00 0.00 C ATOM 219 CD1 ILE A 44 0.118 3.216 0.775 1.00 0.00 C ATOM 0 H ILE A 44 -2.078 5.685 2.532 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.047 5.160 4.503 1.00 0.00 H new ATOM 0 HB ILE A 44 0.003 5.824 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.252 3.150 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.273 3.768 2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.270 4.913 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.150 6.350 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.204 4.726 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.268 2.199 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.352 3.833 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.197 3.206 0.621 1.00 0.00 H new ATOM 231 N TRP A 45 -0.250 8.129 3.123 1.00 0.00 N ATOM 232 CA TRP A 45 0.219 9.519 3.094 1.00 0.00 C ATOM 233 C TRP A 45 0.083 10.187 4.466 1.00 0.00 C ATOM 234 O TRP A 45 0.894 11.026 4.847 1.00 0.00 O ATOM 235 CB TRP A 45 -0.563 10.307 2.029 1.00 0.00 C ATOM 236 CG TRP A 45 -0.424 11.795 2.158 1.00 0.00 C ATOM 237 CD1 TRP A 45 -1.407 12.641 2.543 1.00 0.00 C ATOM 238 CD2 TRP A 45 0.788 12.610 2.049 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.888 13.913 2.703 1.00 0.00 N ATOM 240 CE2 TRP A 45 0.464 13.948 2.427 1.00 0.00 C ATOM 241 CE3 TRP A 45 2.134 12.345 1.706 1.00 0.00 C ATOM 242 CZ2 TRP A 45 1.428 14.968 2.477 1.00 0.00 C ATOM 243 CZ3 TRP A 45 3.107 13.363 1.744 1.00 0.00 C ATOM 244 CH2 TRP A 45 2.758 14.670 2.132 1.00 0.00 C ATOM 0 H TRP A 45 -1.003 7.948 2.459 1.00 0.00 H new ATOM 0 HA TRP A 45 1.278 9.518 2.836 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.220 10.003 1.040 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.618 10.042 2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.439 12.365 2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.436 14.724 2.989 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.421 11.347 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.151 15.968 2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.128 13.139 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.511 15.443 2.165 1.00 0.00 H new ATOM 255 N SER A 46 -0.940 9.776 5.213 1.00 0.00 N ATOM 256 CA SER A 46 -1.246 10.340 6.532 1.00 0.00 C ATOM 257 C SER A 46 -0.308 9.830 7.637 1.00 0.00 C ATOM 258 O SER A 46 -0.134 10.522 8.640 1.00 0.00 O ATOM 259 CB SER A 46 -2.710 10.033 6.876 1.00 0.00 C ATOM 260 OG SER A 46 -3.162 10.819 7.971 1.00 0.00 O ATOM 0 H SER A 46 -1.584 9.040 4.922 1.00 0.00 H new ATOM 0 HA SER A 46 -1.088 11.417 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.338 10.224 6.006 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.814 8.975 7.118 1.00 0.00 H new ATOM 0 HG SER A 46 -4.098 10.602 8.165 1.00 0.00 H new ATOM 266 N LEU A 47 0.216 8.612 7.503 1.00 0.00 N ATOM 267 CA LEU A 47 1.137 7.914 8.384 1.00 0.00 C ATOM 268 C LEU A 47 2.617 8.369 8.308 1.00 0.00 C ATOM 269 O LEU A 47 3.231 8.780 9.298 1.00 0.00 O ATOM 270 CB LEU A 47 0.934 6.424 8.010 1.00 0.00 C ATOM 271 CG LEU A 47 0.346 5.655 9.194 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.405 4.406 8.743 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.529 5.344 10.094 1.00 0.00 C ATOM 0 H LEU A 47 -0.020 8.038 6.694 1.00 0.00 H new ATOM 0 HA LEU A 47 0.916 8.133 9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.269 6.345 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.887 5.982 7.718 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.405 6.237 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.807 3.889 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.223 4.692 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.277 3.744 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.186 4.791 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.254 4.742 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.997 6.275 10.414 1.00 0.00 H new ATOM 285 N GLY A 48 3.190 8.266 7.108 1.00 0.00 N ATOM 286 CA GLY A 48 4.589 8.584 6.770 1.00 0.00 C ATOM 287 C GLY A 48 5.277 7.432 6.030 1.00 0.00 C ATOM 288 O GLY A 48 5.739 7.593 4.901 1.00 0.00 O ATOM 0 H GLY A 48 2.665 7.941 6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.618 9.481 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.140 8.809 7.683 1.00 0.00 H new ATOM 292 N GLU A 49 5.220 6.241 6.621 1.00 0.00 N ATOM 293 CA GLU A 49 5.608 4.960 6.031 1.00 0.00 C ATOM 294 C GLU A 49 4.618 3.861 6.450 1.00 0.00 C ATOM 295 O GLU A 49 3.994 3.964 7.507 1.00 0.00 O ATOM 296 CB GLU A 49 7.061 4.600 6.417 1.00 0.00 C ATOM 297 CG GLU A 49 7.354 4.180 7.872 1.00 0.00 C ATOM 298 CD GLU A 49 8.072 5.259 8.699 1.00 0.00 C ATOM 299 OE1 GLU A 49 7.508 6.365 8.885 1.00 0.00 O ATOM 300 OE2 GLU A 49 9.185 4.964 9.196 1.00 0.00 O ATOM 0 H GLU A 49 4.883 6.137 7.578 1.00 0.00 H new ATOM 0 HA GLU A 49 5.572 5.044 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.385 3.788 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.688 5.462 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.415 3.925 8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.964 3.277 7.863 1.00 0.00 H new ATOM 307 N ALA A 50 4.477 2.795 5.655 1.00 0.00 N ATOM 308 CA ALA A 50 3.601 1.677 6.024 1.00 0.00 C ATOM 309 C ALA A 50 4.108 0.311 5.529 1.00 0.00 C ATOM 310 O ALA A 50 4.632 0.168 4.420 1.00 0.00 O ATOM 311 CB ALA A 50 2.191 1.988 5.502 1.00 0.00 C ATOM 0 H ALA A 50 4.953 2.682 4.760 1.00 0.00 H new ATOM 0 HA ALA A 50 3.591 1.586 7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.518 1.171 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.832 2.913 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.221 2.101 4.418 1.00 0.00 H new ATOM 317 N ARG A 51 3.918 -0.741 6.341 1.00 0.00 N ATOM 318 CA ARG A 51 4.169 -2.139 5.950 1.00 0.00 C ATOM 319 C ARG A 51 2.945 -2.720 5.235 1.00 0.00 C ATOM 320 O ARG A 51 1.829 -2.223 5.390 1.00 0.00 O ATOM 321 CB ARG A 51 4.600 -2.973 7.173 1.00 0.00 C ATOM 322 CG ARG A 51 6.020 -2.550 7.595 1.00 0.00 C ATOM 323 CD ARG A 51 6.687 -3.439 8.646 1.00 0.00 C ATOM 324 NE ARG A 51 5.953 -3.433 9.926 1.00 0.00 N ATOM 325 CZ ARG A 51 5.494 -4.431 10.659 1.00 0.00 C ATOM 326 NH1 ARG A 51 5.582 -5.681 10.282 1.00 0.00 N ATOM 327 NH2 ARG A 51 4.882 -4.156 11.773 1.00 0.00 N ATOM 0 H ARG A 51 3.582 -0.644 7.299 1.00 0.00 H new ATOM 0 HA ARG A 51 4.996 -2.173 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.902 -2.822 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.581 -4.035 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.653 -2.529 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.977 -1.531 7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.750 -4.460 8.269 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.709 -3.098 8.813 1.00 0.00 H new ATOM 0 HE ARG A 51 5.770 -2.505 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.019 -5.915 9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.214 -6.421 10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.765 -3.186 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.519 -4.911 12.355 1.00 0.00 H new ATOM 341 N VAL A 52 3.146 -3.761 4.423 1.00 0.00 N ATOM 342 CA VAL A 52 2.113 -4.277 3.498 1.00 0.00 C ATOM 343 C VAL A 52 0.809 -4.682 4.174 1.00 0.00 C ATOM 344 O VAL A 52 -0.283 -4.580 3.619 1.00 0.00 O ATOM 345 CB VAL A 52 2.618 -5.409 2.579 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.059 -5.796 2.899 1.00 0.00 C ATOM 347 CG2 VAL A 52 1.750 -6.672 2.589 1.00 0.00 C ATOM 0 H VAL A 52 4.026 -4.275 4.382 1.00 0.00 H new ATOM 0 HA VAL A 52 1.888 -3.415 2.871 1.00 0.00 H new ATOM 0 HB VAL A 52 2.555 -4.984 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.378 -6.596 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.707 -4.930 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.123 -6.139 3.932 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.179 -7.414 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.711 -7.079 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.741 -6.423 2.259 1.00 0.00 H new ATOM 357 N ASP A 53 0.943 -5.292 5.329 1.00 0.00 N ATOM 358 CA ASP A 53 -0.201 -5.769 6.070 1.00 0.00 C ATOM 359 C ASP A 53 -0.945 -4.602 6.758 1.00 0.00 C ATOM 360 O ASP A 53 -2.150 -4.700 6.965 1.00 0.00 O ATOM 361 CB ASP A 53 0.263 -6.958 6.921 1.00 0.00 C ATOM 362 CG ASP A 53 1.460 -7.755 6.376 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.603 -7.246 6.408 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.302 -8.915 5.923 1.00 0.00 O ATOM 0 H ASP A 53 1.841 -5.470 5.778 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.995 -6.171 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.520 -6.589 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.577 -7.641 7.042 1.00 0.00 H new ATOM 369 N GLU A 54 -0.281 -3.456 6.999 1.00 0.00 N ATOM 370 CA GLU A 54 -0.909 -2.227 7.539 1.00 0.00 C ATOM 371 C GLU A 54 -1.750 -1.508 6.476 1.00 0.00 C ATOM 372 O GLU A 54 -2.884 -1.086 6.695 1.00 0.00 O ATOM 373 CB GLU A 54 0.174 -1.251 8.046 1.00 0.00 C ATOM 374 CG GLU A 54 -0.062 -0.690 9.465 1.00 0.00 C ATOM 375 CD GLU A 54 -1.316 0.177 9.709 1.00 0.00 C ATOM 376 OE1 GLU A 54 -2.440 -0.369 9.673 1.00 0.00 O ATOM 377 OE2 GLU A 54 -1.184 1.353 10.111 1.00 0.00 O ATOM 0 H GLU A 54 0.718 -3.352 6.823 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.559 -2.533 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.137 -1.761 8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.243 -0.416 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.102 -1.534 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.811 -0.097 9.738 1.00 0.00 H new ATOM 384 N ILE A 55 -1.195 -1.364 5.271 1.00 0.00 N ATOM 385 CA ILE A 55 -1.927 -0.724 4.156 1.00 0.00 C ATOM 386 C ILE A 55 -3.199 -1.502 3.795 1.00 0.00 C ATOM 387 O ILE A 55 -4.224 -0.895 3.511 1.00 0.00 O ATOM 388 CB ILE A 55 -1.036 -0.564 2.917 1.00 0.00 C ATOM 389 CG1 ILE A 55 -0.450 -1.918 2.548 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.120 0.383 3.211 1.00 0.00 C ATOM 391 CD1 ILE A 55 0.623 -1.910 1.502 1.00 0.00 C ATOM 0 H ILE A 55 -0.253 -1.675 5.035 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.220 0.268 4.499 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.641 -0.164 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.045 -2.374 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.261 -2.560 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.742 0.485 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.273 1.360 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.719 -0.017 4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.964 -2.930 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.226 -1.492 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.461 -1.303 1.845 1.00 0.00 H new ATOM 403 N TYR A 56 -3.138 -2.831 3.853 1.00 0.00 N ATOM 404 CA TYR A 56 -4.269 -3.721 3.723 1.00 0.00 C ATOM 405 C TYR A 56 -5.261 -3.641 4.885 1.00 0.00 C ATOM 406 O TYR A 56 -6.467 -3.684 4.677 1.00 0.00 O ATOM 407 CB TYR A 56 -3.671 -5.117 3.643 1.00 0.00 C ATOM 408 CG TYR A 56 -4.726 -6.173 3.496 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.637 -6.099 2.432 1.00 0.00 C ATOM 410 CD2 TYR A 56 -4.805 -7.195 4.449 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.711 -7.006 2.367 1.00 0.00 C ATOM 412 CE2 TYR A 56 -5.883 -8.106 4.399 1.00 0.00 C ATOM 413 CZ TYR A 56 -6.852 -7.991 3.370 1.00 0.00 C ATOM 414 OH TYR A 56 -7.910 -8.843 3.320 1.00 0.00 O ATOM 0 H TYR A 56 -2.259 -3.328 3.998 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.851 -3.445 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.985 -5.170 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.085 -5.312 4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.515 -5.348 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.049 -7.286 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.422 -6.950 1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.969 -8.886 5.141 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.867 -9.463 4.078 1.00 0.00 H new ATOM 424 N ALA A 57 -4.775 -3.445 6.109 1.00 0.00 N ATOM 425 CA ALA A 57 -5.626 -3.332 7.307 1.00 0.00 C ATOM 426 C ALA A 57 -6.621 -2.151 7.257 1.00 0.00 C ATOM 427 O ALA A 57 -7.601 -2.090 8.003 1.00 0.00 O ATOM 428 CB ALA A 57 -4.720 -3.179 8.523 1.00 0.00 C ATOM 0 H ALA A 57 -3.778 -3.359 6.306 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.232 -4.236 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.330 -3.093 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.072 -4.051 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.110 -2.283 8.412 1.00 0.00 H new ATOM 434 N GLN A 58 -6.336 -1.205 6.367 1.00 0.00 N ATOM 435 CA GLN A 58 -7.148 -0.035 6.082 1.00 0.00 C ATOM 436 C GLN A 58 -8.253 -0.283 5.033 1.00 0.00 C ATOM 437 O GLN A 58 -9.111 0.571 4.819 1.00 0.00 O ATOM 438 CB GLN A 58 -6.158 1.037 5.604 1.00 0.00 C ATOM 439 CG GLN A 58 -5.960 2.170 6.601 1.00 0.00 C ATOM 440 CD GLN A 58 -5.509 1.754 7.994 1.00 0.00 C ATOM 441 OE1 GLN A 58 -6.052 2.222 8.980 1.00 0.00 O ATOM 442 NE2 GLN A 58 -4.503 0.922 8.108 1.00 0.00 N ATOM 0 H GLN A 58 -5.490 -1.239 5.799 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.696 0.266 6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.195 0.567 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.512 1.452 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.224 2.863 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.898 2.717 6.692 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.060 0.540 7.272 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.163 0.657 9.032 1.00 0.00 H new ATOM 451 N ILE A 59 -8.221 -1.421 4.334 1.00 0.00 N ATOM 452 CA ILE A 59 -9.071 -1.772 3.184 1.00 0.00 C ATOM 453 C ILE A 59 -10.193 -2.761 3.598 1.00 0.00 C ATOM 454 O ILE A 59 -9.919 -3.942 3.802 1.00 0.00 O ATOM 455 CB ILE A 59 -8.164 -2.343 2.075 1.00 0.00 C ATOM 456 CG1 ILE A 59 -7.111 -1.271 1.712 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.966 -2.766 0.839 1.00 0.00 C ATOM 458 CD1 ILE A 59 -6.141 -1.693 0.620 1.00 0.00 C ATOM 0 H ILE A 59 -7.565 -2.167 4.566 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.581 -0.886 2.805 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.672 -3.243 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.627 -0.365 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.544 -1.017 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.288 -3.162 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.687 -3.534 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.495 -1.902 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.437 -0.884 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.595 -2.580 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.695 -1.918 -0.292 1.00 0.00 H new ATOM 470 N PRO A 60 -11.459 -2.324 3.764 1.00 0.00 N ATOM 471 CA PRO A 60 -12.525 -3.162 4.340 1.00 0.00 C ATOM 472 C PRO A 60 -13.148 -4.195 3.378 1.00 0.00 C ATOM 473 O PRO A 60 -13.222 -3.995 2.163 1.00 0.00 O ATOM 474 CB PRO A 60 -13.582 -2.163 4.829 1.00 0.00 C ATOM 475 CG PRO A 60 -13.440 -0.995 3.853 1.00 0.00 C ATOM 476 CD PRO A 60 -11.935 -0.958 3.589 1.00 0.00 C ATOM 0 HA PRO A 60 -12.106 -3.786 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.584 -2.591 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.397 -1.853 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.008 -1.161 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.798 -0.061 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.725 -0.598 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.435 -0.280 4.280 1.00 0.00 H new ATOM 484 N GLN A 61 -13.750 -5.246 3.952 1.00 0.00 N ATOM 485 CA GLN A 61 -14.511 -6.293 3.238 1.00 0.00 C ATOM 486 C GLN A 61 -15.769 -5.796 2.480 1.00 0.00 C ATOM 487 O GLN A 61 -16.375 -6.555 1.728 1.00 0.00 O ATOM 488 CB GLN A 61 -14.880 -7.418 4.226 1.00 0.00 C ATOM 489 CG GLN A 61 -13.689 -8.280 4.691 1.00 0.00 C ATOM 490 CD GLN A 61 -13.249 -9.320 3.654 1.00 0.00 C ATOM 491 OE1 GLN A 61 -13.041 -9.034 2.488 1.00 0.00 O ATOM 492 NE2 GLN A 61 -13.120 -10.577 4.023 1.00 0.00 N ATOM 0 H GLN A 61 -13.722 -5.400 4.960 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.850 -6.662 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.354 -6.974 5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.620 -8.067 3.758 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.846 -7.628 4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.959 -8.791 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -13.288 -10.844 4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.852 -11.284 3.339 1.00 0.00 H new ATOM 501 N GLU A 62 -16.150 -4.523 2.624 1.00 0.00 N ATOM 502 CA GLU A 62 -17.164 -3.839 1.798 1.00 0.00 C ATOM 503 C GLU A 62 -16.686 -3.565 0.348 1.00 0.00 C ATOM 504 O GLU A 62 -17.488 -3.230 -0.524 1.00 0.00 O ATOM 505 CB GLU A 62 -17.603 -2.535 2.498 1.00 0.00 C ATOM 506 CG GLU A 62 -18.187 -2.807 3.900 1.00 0.00 C ATOM 507 CD GLU A 62 -18.801 -1.571 4.582 1.00 0.00 C ATOM 508 OE1 GLU A 62 -19.564 -0.817 3.937 1.00 0.00 O ATOM 509 OE2 GLU A 62 -18.608 -1.393 5.809 1.00 0.00 O ATOM 0 H GLU A 62 -15.751 -3.916 3.340 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.018 -4.509 1.704 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.749 -1.863 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.348 -2.027 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.952 -3.580 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.398 -3.205 4.538 1.00 0.00 H new ATOM 516 N LEU A 63 -15.369 -3.650 0.112 1.00 0.00 N ATOM 517 CA LEU A 63 -14.695 -3.619 -1.205 1.00 0.00 C ATOM 518 C LEU A 63 -14.318 -4.998 -1.767 1.00 0.00 C ATOM 519 O LEU A 63 -13.979 -5.131 -2.936 1.00 0.00 O ATOM 520 CB LEU A 63 -13.387 -2.837 -1.057 1.00 0.00 C ATOM 521 CG LEU A 63 -13.541 -1.448 -0.438 1.00 0.00 C ATOM 522 CD1 LEU A 63 -12.149 -0.850 -0.345 1.00 0.00 C ATOM 523 CD2 LEU A 63 -14.465 -0.591 -1.288 1.00 0.00 C ATOM 0 H LEU A 63 -14.702 -3.748 0.877 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.409 -3.167 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.699 -3.419 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.928 -2.733 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.991 -1.502 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.210 0.146 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.522 -1.484 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.715 -0.782 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.565 0.395 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.048 -0.489 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.445 -1.064 -1.349 1.00 0.00 H new ATOM 535 N GLU A 64 -14.282 -5.981 -0.879 1.00 0.00 N ATOM 536 CA GLU A 64 -14.064 -7.425 -1.146 1.00 0.00 C ATOM 537 C GLU A 64 -12.648 -7.804 -1.632 1.00 0.00 C ATOM 538 O GLU A 64 -12.359 -8.960 -1.968 1.00 0.00 O ATOM 539 CB GLU A 64 -15.111 -7.968 -2.136 1.00 0.00 C ATOM 540 CG GLU A 64 -16.567 -7.647 -1.793 1.00 0.00 C ATOM 541 CD GLU A 64 -17.469 -8.467 -2.710 1.00 0.00 C ATOM 542 OE1 GLU A 64 -17.807 -8.015 -3.825 1.00 0.00 O ATOM 543 OE2 GLU A 64 -17.767 -9.631 -2.358 1.00 0.00 O ATOM 0 H GLU A 64 -14.411 -5.796 0.116 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.177 -7.895 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.892 -7.568 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.000 -9.051 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.772 -7.884 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.761 -6.582 -1.923 1.00 0.00 H new ATOM 550 N TRP A 65 -11.730 -6.833 -1.692 1.00 0.00 N ATOM 551 CA TRP A 65 -10.401 -7.013 -2.263 1.00 0.00 C ATOM 552 C TRP A 65 -9.539 -8.006 -1.461 1.00 0.00 C ATOM 553 O TRP A 65 -9.264 -7.815 -0.275 1.00 0.00 O ATOM 554 CB TRP A 65 -9.689 -5.654 -2.321 1.00 0.00 C ATOM 555 CG TRP A 65 -10.096 -4.688 -3.396 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.094 -4.834 -4.303 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.487 -3.395 -3.693 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.109 -3.752 -5.163 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.145 -2.829 -4.826 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.437 -2.646 -3.114 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.773 -1.588 -5.361 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.066 -1.392 -3.638 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.731 -0.863 -4.757 1.00 0.00 C ATOM 0 H TRP A 65 -11.896 -5.890 -1.340 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.529 -7.429 -3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.831 -5.162 -1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.621 -5.842 -2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -11.775 -5.671 -4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.753 -3.650 -5.948 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.911 -3.041 -2.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.282 -1.193 -6.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.265 -0.834 -3.176 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.442 0.099 -5.153 1.00 0.00 H new ATOM 574 N SER A 66 -9.040 -9.020 -2.167 1.00 0.00 N ATOM 575 CA SER A 66 -8.029 -9.948 -1.656 1.00 0.00 C ATOM 576 C SER A 66 -6.752 -9.197 -1.287 1.00 0.00 C ATOM 577 O SER A 66 -6.383 -8.216 -1.941 1.00 0.00 O ATOM 578 CB SER A 66 -7.703 -10.979 -2.744 1.00 0.00 C ATOM 579 OG SER A 66 -6.596 -11.785 -2.389 1.00 0.00 O ATOM 0 H SER A 66 -9.330 -9.224 -3.123 1.00 0.00 H new ATOM 0 HA SER A 66 -8.420 -10.442 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.573 -11.612 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.492 -10.464 -3.681 1.00 0.00 H new ATOM 0 HG SER A 66 -6.419 -12.431 -3.105 1.00 0.00 H new ATOM 585 N LEU A 67 -5.992 -9.717 -0.316 1.00 0.00 N ATOM 586 CA LEU A 67 -4.650 -9.258 -0.004 1.00 0.00 C ATOM 587 C LEU A 67 -3.749 -9.189 -1.248 1.00 0.00 C ATOM 588 O LEU A 67 -2.913 -8.289 -1.366 1.00 0.00 O ATOM 589 CB LEU A 67 -4.053 -10.196 1.059 1.00 0.00 C ATOM 590 CG LEU A 67 -3.381 -9.495 2.244 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.388 -10.462 2.853 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.688 -8.180 1.902 1.00 0.00 C ATOM 0 H LEU A 67 -6.306 -10.482 0.281 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.708 -8.240 0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.846 -10.839 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.321 -10.845 0.578 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.170 -9.220 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.893 -9.989 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.911 -11.356 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.644 -10.738 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.242 -7.759 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.908 -8.361 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.417 -7.479 1.496 1.00 0.00 H new ATOM 604 N ALA A 68 -3.935 -10.108 -2.199 1.00 0.00 N ATOM 605 CA ALA A 68 -3.194 -10.099 -3.456 1.00 0.00 C ATOM 606 C ALA A 68 -3.399 -8.784 -4.240 1.00 0.00 C ATOM 607 O ALA A 68 -2.444 -8.262 -4.824 1.00 0.00 O ATOM 608 CB ALA A 68 -3.611 -11.325 -4.275 1.00 0.00 C ATOM 0 H ALA A 68 -4.602 -10.875 -2.117 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.126 -10.152 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.066 -11.334 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.382 -12.232 -3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.682 -11.282 -4.474 1.00 0.00 H new ATOM 614 N THR A 69 -4.611 -8.216 -4.205 1.00 0.00 N ATOM 615 CA THR A 69 -4.968 -6.983 -4.915 1.00 0.00 C ATOM 616 C THR A 69 -4.165 -5.784 -4.457 1.00 0.00 C ATOM 617 O THR A 69 -3.613 -5.083 -5.301 1.00 0.00 O ATOM 618 CB THR A 69 -6.460 -6.644 -4.817 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.193 -7.672 -5.428 1.00 0.00 O ATOM 620 CG2 THR A 69 -6.775 -5.352 -5.575 1.00 0.00 C ATOM 0 H THR A 69 -5.386 -8.609 -3.671 1.00 0.00 H new ATOM 0 HA THR A 69 -4.724 -7.194 -5.956 1.00 0.00 H new ATOM 0 HB THR A 69 -6.719 -6.528 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.150 -7.469 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.839 -5.131 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.200 -4.530 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.511 -5.473 -6.626 1.00 0.00 H new ATOM 628 N VAL A 70 -4.044 -5.506 -3.150 1.00 0.00 N ATOM 629 CA VAL A 70 -3.332 -4.301 -2.735 1.00 0.00 C ATOM 630 C VAL A 70 -1.839 -4.376 -3.063 1.00 0.00 C ATOM 631 O VAL A 70 -1.251 -3.423 -3.563 1.00 0.00 O ATOM 632 CB VAL A 70 -3.606 -3.979 -1.260 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.060 -4.996 -0.261 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.981 -2.632 -0.938 1.00 0.00 C ATOM 0 H VAL A 70 -4.416 -6.078 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.721 -3.465 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.691 -3.991 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.305 -4.678 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.507 -5.971 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.977 -5.065 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.166 -2.386 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.907 -2.678 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.422 -1.865 -1.575 1.00 0.00 H new ATOM 644 N LYS A 71 -1.235 -5.544 -2.849 1.00 0.00 N ATOM 645 CA LYS A 71 0.180 -5.814 -3.151 1.00 0.00 C ATOM 646 C LYS A 71 0.508 -5.608 -4.631 1.00 0.00 C ATOM 647 O LYS A 71 1.543 -5.023 -4.954 1.00 0.00 O ATOM 648 CB LYS A 71 0.519 -7.241 -2.708 1.00 0.00 C ATOM 649 CG LYS A 71 0.331 -7.412 -1.201 1.00 0.00 C ATOM 650 CD LYS A 71 0.778 -8.814 -0.788 1.00 0.00 C ATOM 651 CE LYS A 71 0.299 -9.173 0.628 1.00 0.00 C ATOM 652 NZ LYS A 71 1.123 -10.249 1.242 1.00 0.00 N ATOM 0 H LYS A 71 -1.721 -6.349 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 71 0.792 -5.100 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.116 -7.950 -3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.550 -7.473 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.910 -6.661 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.715 -7.259 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.389 -9.543 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.865 -8.876 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.335 -8.285 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.742 -9.493 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.765 -10.459 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.068 -11.106 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.113 -9.935 1.305 1.00 0.00 H new ATOM 666 N THR A 72 -0.387 -6.039 -5.519 1.00 0.00 N ATOM 667 CA THR A 72 -0.232 -5.777 -6.967 1.00 0.00 C ATOM 668 C THR A 72 -0.561 -4.326 -7.370 1.00 0.00 C ATOM 669 O THR A 72 0.129 -3.751 -8.211 1.00 0.00 O ATOM 670 CB THR A 72 -0.962 -6.829 -7.815 1.00 0.00 C ATOM 671 OG1 THR A 72 -0.480 -6.827 -9.140 1.00 0.00 O ATOM 672 CG2 THR A 72 -2.472 -6.659 -7.860 1.00 0.00 C ATOM 0 H THR A 72 -1.224 -6.568 -5.274 1.00 0.00 H new ATOM 0 HA THR A 72 0.830 -5.883 -7.188 1.00 0.00 H new ATOM 0 HB THR A 72 -0.753 -7.777 -7.319 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.957 -7.505 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.908 -7.443 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.876 -6.728 -6.850 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.716 -5.684 -8.283 1.00 0.00 H new ATOM 680 N LEU A 73 -1.551 -3.674 -6.739 1.00 0.00 N ATOM 681 CA LEU A 73 -1.952 -2.287 -7.006 1.00 0.00 C ATOM 682 C LEU A 73 -0.839 -1.301 -6.606 1.00 0.00 C ATOM 683 O LEU A 73 -0.445 -0.444 -7.402 1.00 0.00 O ATOM 684 CB LEU A 73 -3.277 -2.106 -6.242 1.00 0.00 C ATOM 685 CG LEU A 73 -4.018 -0.764 -6.316 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.353 -0.946 -5.593 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.268 0.350 -5.596 1.00 0.00 C ATOM 0 H LEU A 73 -2.110 -4.113 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.105 -2.076 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.963 -2.877 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.077 -2.311 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.126 -0.487 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.913 -0.011 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.929 -1.730 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.170 -1.226 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.832 1.279 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.148 0.088 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.286 0.481 -6.051 1.00 0.00 H new ATOM 699 N LEU A 74 -0.237 -1.517 -5.431 1.00 0.00 N ATOM 700 CA LEU A 74 0.966 -0.811 -4.982 1.00 0.00 C ATOM 701 C LEU A 74 2.041 -0.861 -6.036 1.00 0.00 C ATOM 702 O LEU A 74 2.529 0.161 -6.485 1.00 0.00 O ATOM 703 CB LEU A 74 1.560 -1.530 -3.778 1.00 0.00 C ATOM 704 CG LEU A 74 0.880 -1.224 -2.463 1.00 0.00 C ATOM 705 CD1 LEU A 74 1.549 -2.130 -1.433 1.00 0.00 C ATOM 706 CD2 LEU A 74 1.065 0.246 -2.109 1.00 0.00 C ATOM 0 H LEU A 74 -0.579 -2.199 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 74 0.672 0.215 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.514 -2.605 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.614 -1.265 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.194 -1.404 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.102 -1.959 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.408 -3.172 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.615 -1.907 -1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.572 0.457 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.129 0.468 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.627 0.866 -2.891 1.00 0.00 H new ATOM 718 N GLY A 75 2.343 -2.085 -6.446 1.00 0.00 N ATOM 719 CA GLY A 75 3.323 -2.406 -7.478 1.00 0.00 C ATOM 720 C GLY A 75 3.091 -1.605 -8.752 1.00 0.00 C ATOM 721 O GLY A 75 4.054 -1.196 -9.394 1.00 0.00 O ATOM 0 H GLY A 75 1.896 -2.914 -6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.326 -2.205 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.275 -3.471 -7.705 1.00 0.00 H new ATOM 725 N ARG A 76 1.836 -1.269 -9.072 1.00 0.00 N ATOM 726 CA ARG A 76 1.538 -0.378 -10.202 1.00 0.00 C ATOM 727 C ARG A 76 1.844 1.079 -9.834 1.00 0.00 C ATOM 728 O ARG A 76 2.463 1.756 -10.647 1.00 0.00 O ATOM 729 CB ARG A 76 0.084 -0.519 -10.676 1.00 0.00 C ATOM 730 CG ARG A 76 -0.351 -1.947 -11.097 1.00 0.00 C ATOM 731 CD ARG A 76 -0.620 -2.155 -12.606 1.00 0.00 C ATOM 732 NE ARG A 76 0.602 -2.387 -13.416 1.00 0.00 N ATOM 733 CZ ARG A 76 0.704 -3.138 -14.511 1.00 0.00 C ATOM 734 NH1 ARG A 76 -0.318 -3.696 -15.094 1.00 0.00 N ATOM 735 NH2 ARG A 76 1.847 -3.348 -15.095 1.00 0.00 N ATOM 0 H ARG A 76 1.013 -1.598 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 76 2.182 -0.676 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.574 -0.180 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.070 0.152 -11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.423 -2.648 -10.786 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.256 -2.207 -10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.291 -3.005 -12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.139 -1.279 -12.995 1.00 0.00 H new ATOM 0 HE ARG A 76 1.453 -1.922 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.255 -3.567 -14.713 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.181 -4.262 -15.932 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.698 -2.933 -14.715 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.893 -3.928 -15.933 1.00 0.00 H new ATOM 749 N LEU A 77 1.511 1.546 -8.618 1.00 0.00 N ATOM 750 CA LEU A 77 1.874 2.916 -8.187 1.00 0.00 C ATOM 751 C LEU A 77 3.381 3.156 -8.239 1.00 0.00 C ATOM 752 O LEU A 77 3.846 4.176 -8.750 1.00 0.00 O ATOM 753 CB LEU A 77 1.471 3.182 -6.726 1.00 0.00 C ATOM 754 CG LEU A 77 0.140 2.617 -6.252 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.048 3.000 -4.798 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.013 3.050 -7.136 1.00 0.00 C ATOM 0 H LEU A 77 0.998 1.006 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 77 1.344 3.573 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.255 2.782 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.452 4.261 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 77 0.152 1.530 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.998 2.604 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.767 2.585 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.049 4.086 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.942 2.622 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.086 4.138 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.841 2.702 -8.155 1.00 0.00 H new ATOM 768 N VAL A 78 4.116 2.203 -7.647 1.00 0.00 N ATOM 769 CA VAL A 78 5.582 2.270 -7.483 1.00 0.00 C ATOM 770 C VAL A 78 6.296 2.160 -8.844 1.00 0.00 C ATOM 771 O VAL A 78 7.285 2.853 -9.071 1.00 0.00 O ATOM 772 CB VAL A 78 6.196 1.362 -6.361 1.00 0.00 C ATOM 773 CG1 VAL A 78 5.247 0.603 -5.409 1.00 0.00 C ATOM 774 CG2 VAL A 78 7.169 0.295 -6.870 1.00 0.00 C ATOM 0 H VAL A 78 3.707 1.351 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 78 5.779 3.265 -7.084 1.00 0.00 H new ATOM 0 HB VAL A 78 6.681 2.159 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.834 0.024 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.623 1.317 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.613 -0.069 -5.987 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.545 -0.286 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.652 -0.366 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.003 0.777 -7.380 1.00 0.00 H new ATOM 784 N LYS A 79 5.769 1.372 -9.796 1.00 0.00 N ATOM 785 CA LYS A 79 6.204 1.355 -11.207 1.00 0.00 C ATOM 786 C LYS A 79 5.884 2.605 -12.013 1.00 0.00 C ATOM 787 O LYS A 79 6.394 2.748 -13.122 1.00 0.00 O ATOM 788 CB LYS A 79 5.760 0.066 -11.920 1.00 0.00 C ATOM 789 CG LYS A 79 6.585 -1.165 -11.506 1.00 0.00 C ATOM 790 CD LYS A 79 8.100 -0.926 -11.462 1.00 0.00 C ATOM 791 CE LYS A 79 8.594 -0.371 -12.800 1.00 0.00 C ATOM 792 NZ LYS A 79 10.025 0.003 -12.759 1.00 0.00 N ATOM 0 H LYS A 79 5.013 0.715 -9.605 1.00 0.00 H new ATOM 0 HA LYS A 79 7.293 1.361 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.708 -0.119 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.843 0.206 -12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.253 -1.496 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.378 -1.977 -12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.341 -0.227 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.615 -1.860 -11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.438 -1.116 -13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.000 0.502 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.314 0.373 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.172 0.734 -12.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.596 -0.835 -12.528 1.00 0.00 H new ATOM 806 N LYS A 80 5.034 3.479 -11.478 1.00 0.00 N ATOM 807 CA LYS A 80 4.805 4.835 -12.004 1.00 0.00 C ATOM 808 C LYS A 80 5.645 5.898 -11.284 1.00 0.00 C ATOM 809 O LYS A 80 6.764 6.137 -11.718 1.00 0.00 O ATOM 810 CB LYS A 80 3.307 5.182 -12.073 1.00 0.00 C ATOM 811 CG LYS A 80 2.677 4.620 -13.355 1.00 0.00 C ATOM 812 CD LYS A 80 1.325 5.294 -13.640 1.00 0.00 C ATOM 813 CE LYS A 80 0.802 4.979 -15.045 1.00 0.00 C ATOM 814 NZ LYS A 80 1.672 5.542 -16.107 1.00 0.00 N ATOM 0 H LYS A 80 4.473 3.267 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 80 5.161 4.839 -13.034 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.794 4.775 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.178 6.264 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.352 4.778 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.538 3.543 -13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.595 4.965 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.429 6.373 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.731 3.899 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.206 5.379 -15.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.164 5.531 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.927 6.521 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.536 4.969 -16.188 1.00 0.00 H new ATOM 828 N GLU A 81 5.145 6.505 -10.208 1.00 0.00 N ATOM 829 CA GLU A 81 5.760 7.716 -9.616 1.00 0.00 C ATOM 830 C GLU A 81 5.289 8.051 -8.189 1.00 0.00 C ATOM 831 O GLU A 81 5.890 8.902 -7.545 1.00 0.00 O ATOM 832 CB GLU A 81 5.451 8.902 -10.573 1.00 0.00 C ATOM 833 CG GLU A 81 6.226 10.203 -10.298 1.00 0.00 C ATOM 834 CD GLU A 81 6.115 11.204 -11.462 1.00 0.00 C ATOM 835 OE1 GLU A 81 5.003 11.429 -11.964 1.00 0.00 O ATOM 836 OE2 GLU A 81 7.180 11.802 -11.839 1.00 0.00 O ATOM 0 H GLU A 81 4.310 6.183 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 81 6.829 7.527 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.662 8.585 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.384 9.119 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.846 10.665 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.276 9.968 -10.122 1.00 0.00 H new ATOM 843 N MET A 82 4.225 7.422 -7.657 1.00 0.00 N ATOM 844 CA MET A 82 3.596 7.918 -6.418 1.00 0.00 C ATOM 845 C MET A 82 4.446 7.770 -5.153 1.00 0.00 C ATOM 846 O MET A 82 4.446 8.649 -4.301 1.00 0.00 O ATOM 847 CB MET A 82 2.242 7.244 -6.164 1.00 0.00 C ATOM 848 CG MET A 82 1.378 7.186 -7.423 1.00 0.00 C ATOM 849 SD MET A 82 -0.364 6.787 -7.122 1.00 0.00 S ATOM 850 CE MET A 82 -0.973 8.370 -6.472 1.00 0.00 C ATOM 0 H MET A 82 3.791 6.589 -8.054 1.00 0.00 H new ATOM 0 HA MET A 82 3.475 8.985 -6.604 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.406 6.233 -5.792 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.708 7.788 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.434 8.148 -7.932 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.796 6.442 -8.101 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.048 8.306 -6.306 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.473 8.593 -5.529 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.764 9.163 -7.190 1.00 0.00 H new ATOM 860 N LEU A 83 5.103 6.624 -4.996 1.00 0.00 N ATOM 861 CA LEU A 83 5.989 6.329 -3.854 1.00 0.00 C ATOM 862 C LEU A 83 7.005 5.230 -4.199 1.00 0.00 C ATOM 863 O LEU A 83 6.946 4.630 -5.279 1.00 0.00 O ATOM 864 CB LEU A 83 5.161 6.046 -2.569 1.00 0.00 C ATOM 865 CG LEU A 83 4.690 4.606 -2.280 1.00 0.00 C ATOM 866 CD1 LEU A 83 3.737 4.600 -1.086 1.00 0.00 C ATOM 867 CD2 LEU A 83 3.989 3.939 -3.458 1.00 0.00 C ATOM 0 H LEU A 83 5.039 5.857 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 83 6.587 7.214 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.756 6.374 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.275 6.680 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 83 5.594 4.034 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.408 3.580 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.251 4.993 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.871 5.223 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.687 2.930 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.107 4.518 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.670 3.891 -4.307 1.00 0.00 H new ATOM 879 N SER A 84 7.874 4.906 -3.243 1.00 0.00 N ATOM 880 CA SER A 84 8.858 3.829 -3.329 1.00 0.00 C ATOM 881 C SER A 84 8.637 2.814 -2.212 1.00 0.00 C ATOM 882 O SER A 84 7.723 2.920 -1.392 1.00 0.00 O ATOM 883 CB SER A 84 10.302 4.344 -3.274 1.00 0.00 C ATOM 884 OG SER A 84 10.562 5.317 -4.268 1.00 0.00 O ATOM 0 H SER A 84 7.913 5.405 -2.354 1.00 0.00 H new ATOM 0 HA SER A 84 8.714 3.352 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.496 4.772 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.989 3.507 -3.399 1.00 0.00 H new ATOM 0 HG SER A 84 11.506 5.275 -4.528 1.00 0.00 H new ATOM 890 N THR A 85 9.436 1.756 -2.234 1.00 0.00 N ATOM 891 CA THR A 85 9.349 0.680 -1.256 1.00 0.00 C ATOM 892 C THR A 85 10.700 0.013 -1.050 1.00 0.00 C ATOM 893 O THR A 85 11.482 -0.158 -1.987 1.00 0.00 O ATOM 894 CB THR A 85 8.260 -0.305 -1.687 1.00 0.00 C ATOM 895 OG1 THR A 85 8.132 -1.400 -0.813 1.00 0.00 O ATOM 896 CG2 THR A 85 8.469 -0.839 -3.099 1.00 0.00 C ATOM 0 H THR A 85 10.166 1.619 -2.933 1.00 0.00 H new ATOM 0 HA THR A 85 9.068 1.088 -0.285 1.00 0.00 H new ATOM 0 HB THR A 85 7.342 0.282 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.211 -1.734 -0.840 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.666 -1.532 -3.348 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.465 -0.009 -3.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.426 -1.358 -3.154 1.00 0.00 H new ATOM 904 N GLU A 86 10.980 -0.341 0.198 1.00 0.00 N ATOM 905 CA GLU A 86 12.259 -0.905 0.623 1.00 0.00 C ATOM 906 C GLU A 86 12.041 -2.041 1.622 1.00 0.00 C ATOM 907 O GLU A 86 11.055 -2.053 2.365 1.00 0.00 O ATOM 908 CB GLU A 86 13.173 0.203 1.169 1.00 0.00 C ATOM 909 CG GLU A 86 12.622 0.939 2.399 1.00 0.00 C ATOM 910 CD GLU A 86 13.374 2.251 2.617 1.00 0.00 C ATOM 911 OE1 GLU A 86 14.416 2.257 3.325 1.00 0.00 O ATOM 912 OE2 GLU A 86 12.931 3.299 2.120 1.00 0.00 O ATOM 0 H GLU A 86 10.311 -0.243 0.961 1.00 0.00 H new ATOM 0 HA GLU A 86 12.766 -1.341 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.138 -0.234 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.353 0.930 0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.559 1.140 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.718 0.307 3.282 1.00 0.00 H new ATOM 919 N LYS A 87 12.914 -3.056 1.593 1.00 0.00 N ATOM 920 CA LYS A 87 12.721 -4.292 2.315 1.00 0.00 C ATOM 921 C LYS A 87 13.607 -4.408 3.557 1.00 0.00 C ATOM 922 O LYS A 87 14.834 -4.509 3.496 1.00 0.00 O ATOM 923 CB LYS A 87 12.980 -5.408 1.316 1.00 0.00 C ATOM 924 CG LYS A 87 12.674 -6.721 1.989 1.00 0.00 C ATOM 925 CD LYS A 87 13.144 -7.821 1.072 1.00 0.00 C ATOM 926 CE LYS A 87 12.737 -9.100 1.767 1.00 0.00 C ATOM 927 NZ LYS A 87 13.602 -9.415 2.937 1.00 0.00 N ATOM 0 H LYS A 87 13.781 -3.028 1.057 1.00 0.00 H new ATOM 0 HA LYS A 87 11.707 -4.345 2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.356 -5.279 0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.017 -5.385 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.178 -6.784 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.605 -6.813 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.682 -7.741 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.223 -7.778 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.702 -9.016 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.779 -9.925 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.442 -10.400 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.600 -9.290 2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.368 -8.776 3.724 1.00 0.00 H new ATOM 941 N GLU A 88 12.911 -4.517 4.671 1.00 0.00 N ATOM 942 CA GLU A 88 13.416 -4.852 5.988 1.00 0.00 C ATOM 943 C GLU A 88 13.522 -6.393 6.126 1.00 0.00 C ATOM 944 O GLU A 88 13.040 -7.169 5.287 1.00 0.00 O ATOM 945 CB GLU A 88 12.482 -4.091 6.961 1.00 0.00 C ATOM 946 CG GLU A 88 12.601 -4.381 8.451 1.00 0.00 C ATOM 947 CD GLU A 88 11.833 -5.637 8.868 1.00 0.00 C ATOM 948 OE1 GLU A 88 10.670 -5.829 8.439 1.00 0.00 O ATOM 949 OE2 GLU A 88 12.475 -6.491 9.520 1.00 0.00 O ATOM 0 H GLU A 88 11.903 -4.362 4.680 1.00 0.00 H new ATOM 0 HA GLU A 88 14.436 -4.539 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.649 -3.024 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.454 -4.296 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.653 -4.499 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.227 -3.527 9.015 1.00 0.00 H new ATOM 956 N GLY A 89 14.214 -6.887 7.160 1.00 0.00 N ATOM 957 CA GLY A 89 14.458 -8.325 7.377 1.00 0.00 C ATOM 958 C GLY A 89 13.214 -9.205 7.641 1.00 0.00 C ATOM 959 O GLY A 89 13.343 -10.429 7.709 1.00 0.00 O ATOM 0 H GLY A 89 14.627 -6.295 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.975 -8.719 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.137 -8.432 8.223 1.00 0.00 H new ATOM 963 N ARG A 90 12.021 -8.610 7.774 1.00 0.00 N ATOM 964 CA ARG A 90 10.722 -9.279 7.998 1.00 0.00 C ATOM 965 C ARG A 90 9.712 -8.877 6.918 1.00 0.00 C ATOM 966 O ARG A 90 9.039 -9.770 6.410 1.00 0.00 O ATOM 967 CB ARG A 90 10.190 -8.978 9.420 1.00 0.00 C ATOM 968 CG ARG A 90 11.172 -9.309 10.566 1.00 0.00 C ATOM 969 CD ARG A 90 10.983 -8.410 11.796 1.00 0.00 C ATOM 970 NE ARG A 90 9.843 -8.825 12.641 1.00 0.00 N ATOM 971 CZ ARG A 90 9.923 -9.376 13.845 1.00 0.00 C ATOM 972 NH1 ARG A 90 11.035 -9.827 14.355 1.00 0.00 N ATOM 973 NH2 ARG A 90 8.841 -9.515 14.562 1.00 0.00 N ATOM 0 H ARG A 90 11.926 -7.596 7.727 1.00 0.00 H new ATOM 0 HA ARG A 90 10.869 -10.357 7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.929 -7.921 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.270 -9.542 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.041 -10.350 10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.194 -9.207 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.895 -8.423 12.393 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.831 -7.382 11.468 1.00 0.00 H new ATOM 0 HE ARG A 90 8.908 -8.674 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.902 -9.765 13.822 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.037 -10.241 15.287 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.942 -9.201 14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.894 -9.938 15.489 1.00 0.00 H new ATOM 987 N LYS A 91 9.597 -7.598 6.502 1.00 0.00 N ATOM 988 CA LYS A 91 8.713 -7.124 5.417 1.00 0.00 C ATOM 989 C LYS A 91 9.094 -5.867 4.623 1.00 0.00 C ATOM 990 O LYS A 91 10.101 -5.216 4.846 1.00 0.00 O ATOM 991 CB LYS A 91 7.293 -6.999 5.994 1.00 0.00 C ATOM 992 CG LYS A 91 6.474 -8.154 5.424 1.00 0.00 C ATOM 993 CD LYS A 91 5.563 -8.741 6.482 1.00 0.00 C ATOM 994 CE LYS A 91 4.887 -9.952 5.826 1.00 0.00 C ATOM 995 NZ LYS A 91 3.626 -10.354 6.481 1.00 0.00 N ATOM 0 H LYS A 91 10.135 -6.842 6.926 1.00 0.00 H new ATOM 0 HA LYS A 91 8.814 -7.883 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.314 -7.043 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.850 -6.041 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.880 -7.803 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.142 -8.927 5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.130 -9.040 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.824 -8.011 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.686 -9.722 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.578 -10.795 5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.446 -11.362 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.702 -10.196 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.841 -9.787 6.101 1.00 0.00 H new ATOM 1009 N PHE A 92 8.261 -5.584 3.622 1.00 0.00 N ATOM 1010 CA PHE A 92 8.351 -4.401 2.766 1.00 0.00 C ATOM 1011 C PHE A 92 7.770 -3.184 3.465 1.00 0.00 C ATOM 1012 O PHE A 92 6.708 -3.284 4.090 1.00 0.00 O ATOM 1013 CB PHE A 92 7.524 -4.610 1.501 1.00 0.00 C ATOM 1014 CG PHE A 92 8.268 -5.396 0.468 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.295 -4.762 -0.244 1.00 0.00 C ATOM 1016 CD2 PHE A 92 7.952 -6.744 0.231 1.00 0.00 C ATOM 1017 CE1 PHE A 92 9.996 -5.466 -1.230 1.00 0.00 C ATOM 1018 CE2 PHE A 92 8.667 -7.459 -0.752 1.00 0.00 C ATOM 1019 CZ PHE A 92 9.684 -6.815 -1.486 1.00 0.00 C ATOM 0 H PHE A 92 7.479 -6.192 3.376 1.00 0.00 H new ATOM 0 HA PHE A 92 9.405 -4.247 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.599 -5.128 1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.244 -3.641 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.545 -3.733 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.169 -7.228 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.775 -4.975 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.436 -8.497 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.225 -7.358 -2.247 1.00 0.00 H new ATOM 1029 N VAL A 93 8.405 -2.033 3.260 1.00 0.00 N ATOM 1030 CA VAL A 93 8.002 -0.733 3.779 1.00 0.00 C ATOM 1031 C VAL A 93 7.789 0.219 2.610 1.00 0.00 C ATOM 1032 O VAL A 93 8.729 0.617 1.932 1.00 0.00 O ATOM 1033 CB VAL A 93 9.052 -0.205 4.773 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.814 1.277 5.083 1.00 0.00 C ATOM 1035 CG2 VAL A 93 8.968 -1.032 6.065 1.00 0.00 C ATOM 0 H VAL A 93 9.256 -1.981 2.700 1.00 0.00 H new ATOM 0 HA VAL A 93 7.064 -0.820 4.327 1.00 0.00 H new ATOM 0 HB VAL A 93 10.044 -0.300 4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.568 1.627 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.881 1.857 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.823 1.403 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.707 -0.668 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 93 7.971 -0.936 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.166 -2.080 5.840 1.00 0.00 H new ATOM 1045 N TYR A 94 6.532 0.568 2.386 1.00 0.00 N ATOM 1046 CA TYR A 94 6.068 1.469 1.343 1.00 0.00 C ATOM 1047 C TYR A 94 6.070 2.915 1.877 1.00 0.00 C ATOM 1048 O TYR A 94 5.293 3.231 2.791 1.00 0.00 O ATOM 1049 CB TYR A 94 4.669 0.986 0.908 1.00 0.00 C ATOM 1050 CG TYR A 94 4.678 -0.372 0.219 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.906 -0.424 -1.169 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.477 -1.573 0.940 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.984 -1.663 -1.829 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.512 -2.821 0.275 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.798 -2.862 -1.111 1.00 0.00 C ATOM 1056 OH TYR A 94 4.871 -4.048 -1.773 1.00 0.00 O ATOM 0 H TYR A 94 5.767 0.211 2.958 1.00 0.00 H new ATOM 0 HA TYR A 94 6.722 1.463 0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.023 0.935 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.233 1.723 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.022 0.492 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.296 -1.537 2.004 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.187 -1.696 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.322 -3.734 0.820 1.00 0.00 H new ATOM 0 HH TYR A 94 4.723 -4.784 -1.143 1.00 0.00 H new ATOM 1066 N ARG A 95 6.961 3.774 1.337 1.00 0.00 N ATOM 1067 CA ARG A 95 7.082 5.198 1.716 1.00 0.00 C ATOM 1068 C ARG A 95 7.555 6.127 0.576 1.00 0.00 C ATOM 1069 O ARG A 95 8.188 5.651 -0.372 1.00 0.00 O ATOM 1070 CB ARG A 95 7.964 5.305 2.977 1.00 0.00 C ATOM 1071 CG ARG A 95 9.451 4.998 2.775 1.00 0.00 C ATOM 1072 CD ARG A 95 10.211 5.278 4.074 1.00 0.00 C ATOM 1073 NE ARG A 95 11.625 4.945 3.899 1.00 0.00 N ATOM 1074 CZ ARG A 95 12.663 5.363 4.584 1.00 0.00 C ATOM 1075 NH1 ARG A 95 12.601 6.261 5.532 1.00 0.00 N ATOM 1076 NH2 ARG A 95 13.837 4.913 4.275 1.00 0.00 N ATOM 0 H ARG A 95 7.626 3.494 0.616 1.00 0.00 H new ATOM 0 HA ARG A 95 6.080 5.566 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.871 6.314 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.571 4.624 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.582 3.956 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.853 5.609 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.106 6.327 4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.787 4.691 4.889 1.00 0.00 H new ATOM 0 HE ARG A 95 11.833 4.298 3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.705 6.682 5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.449 6.541 6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.942 4.246 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.656 5.226 4.796 1.00 0.00 H new ATOM 1090 N PRO A 96 7.275 7.451 0.662 1.00 0.00 N ATOM 1091 CA PRO A 96 7.755 8.461 -0.295 1.00 0.00 C ATOM 1092 C PRO A 96 9.236 8.859 -0.083 1.00 0.00 C ATOM 1093 O PRO A 96 9.667 9.195 1.025 1.00 0.00 O ATOM 1094 CB PRO A 96 6.800 9.670 -0.234 1.00 0.00 C ATOM 1095 CG PRO A 96 6.459 9.595 1.262 1.00 0.00 C ATOM 1096 CD PRO A 96 6.479 8.121 1.674 1.00 0.00 C ATOM 0 HA PRO A 96 7.741 8.031 -1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.281 10.607 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.927 9.555 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.181 10.165 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.479 10.031 1.453 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.916 7.995 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.470 7.711 1.716 1.00 0.00 H new ATOM 1104 N LEU A 97 10.014 8.808 -1.171 1.00 0.00 N ATOM 1105 CA LEU A 97 11.364 9.354 -1.292 1.00 0.00 C ATOM 1106 C LEU A 97 11.317 10.747 -1.977 1.00 0.00 C ATOM 1107 O LEU A 97 10.255 11.363 -2.140 1.00 0.00 O ATOM 1108 CB LEU A 97 12.200 8.312 -2.051 1.00 0.00 C ATOM 1109 CG LEU A 97 12.817 7.265 -1.103 1.00 0.00 C ATOM 1110 CD1 LEU A 97 11.867 6.569 -0.120 1.00 0.00 C ATOM 1111 CD2 LEU A 97 13.419 6.203 -1.996 1.00 0.00 C ATOM 0 H LEU A 97 9.700 8.361 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 97 11.830 9.530 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.572 7.809 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.995 8.816 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 97 13.519 7.803 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.428 5.858 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.405 7.314 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.092 6.040 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.875 5.427 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.638 5.763 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 97 14.179 6.653 -2.635 1.00 0.00 H new ATOM 1123 N MET A 98 12.477 11.259 -2.412 1.00 0.00 N ATOM 1124 CA MET A 98 12.639 12.520 -3.161 1.00 0.00 C ATOM 1125 C MET A 98 13.608 12.409 -4.358 1.00 0.00 C ATOM 1126 O MET A 98 13.763 13.390 -5.084 1.00 0.00 O ATOM 1127 CB MET A 98 13.102 13.616 -2.181 1.00 0.00 C ATOM 1128 CG MET A 98 14.512 13.358 -1.627 1.00 0.00 C ATOM 1129 SD MET A 98 15.021 14.519 -0.336 1.00 0.00 S ATOM 1130 CE MET A 98 16.702 13.900 -0.034 1.00 0.00 C ATOM 0 H MET A 98 13.367 10.789 -2.246 1.00 0.00 H new ATOM 0 HA MET A 98 11.672 12.775 -3.596 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.086 14.581 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 98 12.396 13.679 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.554 12.345 -1.227 1.00 0.00 H new ATOM 0 HG3 MET A 98 15.228 13.407 -2.448 1.00 0.00 H new ATOM 0 HE1 MET A 98 17.177 14.501 0.741 1.00 0.00 H new ATOM 0 HE2 MET A 98 16.654 12.861 0.291 1.00 0.00 H new ATOM 0 HE3 MET A 98 17.285 13.967 -0.953 1.00 0.00 H new ATOM 1140 N GLU A 99 14.219 11.237 -4.562 1.00 0.00 N ATOM 1141 CA GLU A 99 15.340 10.984 -5.486 1.00 0.00 C ATOM 1142 C GLU A 99 15.280 9.591 -6.118 1.00 0.00 C ATOM 1143 O GLU A 99 15.412 8.574 -5.404 1.00 0.00 O ATOM 1144 CB GLU A 99 16.641 11.195 -4.678 1.00 0.00 C ATOM 1145 CG GLU A 99 17.968 10.921 -5.407 1.00 0.00 C ATOM 1146 CD GLU A 99 19.151 11.420 -4.563 1.00 0.00 C ATOM 1147 OE1 GLU A 99 19.235 12.643 -4.279 1.00 0.00 O ATOM 1148 OE2 GLU A 99 20.001 10.599 -4.152 1.00 0.00 O ATOM 0 H GLU A 99 13.934 10.394 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 99 15.292 11.673 -6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 99 16.656 12.225 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 99 16.600 10.555 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.073 9.853 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.968 11.419 -6.377 1.00 0.00 H new TER 1155 GLU A 99