USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ 144:sc= 1.09 (180deg=-0.446) USER MOD Set 1.2: A 120 TYR OH : rot 180:sc= -1.23 USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 SER OG : rot 170:sc= -0.106 USER MOD Set 2.3: A 105 SER OG : rot 180:sc= -0.216 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.0114) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 140:sc= -1.92! USER MOD Single : A 18 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.682 USER MOD Single : A 27 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.58) USER MOD Single : A 30 THR OG1 : rot 106:sc= 0.983 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.879 USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.172) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.331) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.017) USER MOD Single : A 70 ASN : amide:sc= 0.291 K(o=0.29,f=-0.84) USER MOD Single : A 71 SER OG : rot -132:sc= 0.21 USER MOD Single : A 74 SER OG : rot 128:sc= -0.174 USER MOD Single : A 80 THR OG1 : rot 10:sc= 0.531! USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 34:sc= 0.0484 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -110:sc= -0.302 (180deg=-2.29!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.746 -0.393 16.602 1.00 0.00 N ATOM 2 CA MET A 1 -1.429 0.293 16.655 1.00 0.00 C ATOM 3 C MET A 1 -0.854 0.488 15.254 1.00 0.00 C ATOM 4 O MET A 1 -0.366 1.565 14.917 1.00 0.00 O ATOM 5 CB MET A 1 -0.476 -0.548 17.508 1.00 0.00 C ATOM 6 CG MET A 1 -0.267 0.006 18.908 1.00 0.00 C ATOM 7 SD MET A 1 1.404 -0.276 19.524 1.00 0.00 S ATOM 8 CE MET A 1 1.607 1.128 20.617 1.00 0.00 C ATOM 0 H1 MET A 1 -3.138 -0.467 17.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.398 0.153 16.004 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.625 -1.346 16.203 1.00 0.00 H new ATOM 0 HA MET A 1 -1.555 1.281 17.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.867 -1.563 17.582 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.488 -0.614 17.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.473 1.076 18.906 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.983 -0.455 19.588 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.596 1.093 21.075 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.504 2.051 20.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.845 1.096 21.396 1.00 0.00 H new ATOM 20 N LYS A 2 -0.915 -0.565 14.444 1.00 0.00 N ATOM 21 CA LYS A 2 -0.401 -0.510 13.081 1.00 0.00 C ATOM 22 C LYS A 2 -1.495 -0.832 12.068 1.00 0.00 C ATOM 23 O LYS A 2 -2.141 -1.876 12.146 1.00 0.00 O ATOM 24 CB LYS A 2 0.765 -1.481 12.914 1.00 0.00 C ATOM 25 CG LYS A 2 2.127 -0.839 13.124 1.00 0.00 C ATOM 26 CD LYS A 2 2.261 -0.261 14.523 1.00 0.00 C ATOM 27 CE LYS A 2 3.704 0.093 14.842 1.00 0.00 C ATOM 28 NZ LYS A 2 4.007 -0.060 16.291 1.00 0.00 N ATOM 0 H LYS A 2 -1.315 -1.465 14.708 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.050 0.505 12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.647 -2.302 13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.727 -1.913 11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.909 -1.580 12.959 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.276 -0.050 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.639 0.629 14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.892 -0.982 15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.371 -0.546 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.902 1.121 14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.001 0.191 16.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.389 0.568 16.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.843 -1.046 16.578 1.00 0.00 H new ATOM 42 N ARG A 3 -1.696 0.075 11.118 1.00 0.00 N ATOM 43 CA ARG A 3 -2.708 -0.108 10.085 1.00 0.00 C ATOM 44 C ARG A 3 -2.154 0.269 8.714 1.00 0.00 C ATOM 45 O ARG A 3 -1.672 1.384 8.516 1.00 0.00 O ATOM 46 CB ARG A 3 -3.945 0.736 10.399 1.00 0.00 C ATOM 47 CG ARG A 3 -4.389 0.648 11.850 1.00 0.00 C ATOM 48 CD ARG A 3 -3.634 1.636 12.727 1.00 0.00 C ATOM 49 NE ARG A 3 -4.502 2.697 13.231 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.059 3.775 13.874 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.761 3.937 14.095 1.00 0.00 N ATOM 52 NH2 ARG A 3 -4.917 4.693 14.300 1.00 0.00 N ATOM 0 H ARG A 3 -1.170 0.946 11.042 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.991 -1.160 10.067 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.736 1.777 10.154 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.765 0.416 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.459 0.845 11.916 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.228 -0.365 12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.185 1.105 13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.817 2.077 12.156 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.507 2.607 13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.097 3.234 13.772 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.427 4.765 14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.916 4.573 14.135 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.577 5.519 14.793 1.00 0.00 H new ATOM 66 N VAL A 4 -2.226 -0.666 7.772 1.00 0.00 N ATOM 67 CA VAL A 4 -1.731 -0.429 6.421 1.00 0.00 C ATOM 68 C VAL A 4 -2.835 -0.642 5.389 1.00 0.00 C ATOM 69 O VAL A 4 -3.679 -1.524 5.541 1.00 0.00 O ATOM 70 CB VAL A 4 -0.542 -1.351 6.091 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.079 -0.970 4.753 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.497 -1.303 7.203 1.00 0.00 C ATOM 0 H VAL A 4 -2.622 -1.594 7.919 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.396 0.607 6.380 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.912 -2.374 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.917 -1.633 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.668 -1.064 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.433 0.060 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.329 -1.961 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.862 -0.282 7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.044 -1.632 8.138 1.00 0.00 H new ATOM 82 N LEU A 5 -2.825 0.172 4.342 1.00 0.00 N ATOM 83 CA LEU A 5 -3.822 0.080 3.283 1.00 0.00 C ATOM 84 C LEU A 5 -3.357 -0.868 2.185 1.00 0.00 C ATOM 85 O LEU A 5 -2.218 -0.787 1.727 1.00 0.00 O ATOM 86 CB LEU A 5 -4.097 1.464 2.694 1.00 0.00 C ATOM 87 CG LEU A 5 -5.335 1.553 1.802 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.569 1.102 2.564 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.514 2.970 1.279 1.00 0.00 C ATOM 0 H LEU A 5 -2.133 0.908 4.203 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.742 -0.313 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.206 2.175 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.228 1.775 2.115 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.197 0.889 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.442 1.171 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.439 0.070 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.712 1.741 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.400 3.015 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.633 3.655 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.638 3.257 0.698 1.00 0.00 H new ATOM 101 N VAL A 6 -4.238 -1.771 1.771 1.00 0.00 N ATOM 102 CA VAL A 6 -3.899 -2.737 0.727 1.00 0.00 C ATOM 103 C VAL A 6 -4.804 -2.600 -0.493 1.00 0.00 C ATOM 104 O VAL A 6 -5.840 -3.254 -0.585 1.00 0.00 O ATOM 105 CB VAL A 6 -3.988 -4.182 1.243 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.379 -5.143 0.235 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.310 -4.311 2.599 1.00 0.00 C ATOM 0 H VAL A 6 -5.186 -1.856 2.137 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.872 -2.516 0.436 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.039 -4.441 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.450 -6.162 0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.918 -5.070 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.332 -4.887 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.384 -5.341 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.260 -4.033 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.800 -3.651 3.315 1.00 0.00 H new ATOM 117 N VAL A 7 -4.397 -1.760 -1.435 1.00 0.00 N ATOM 118 CA VAL A 7 -5.170 -1.555 -2.652 1.00 0.00 C ATOM 119 C VAL A 7 -4.924 -2.690 -3.643 1.00 0.00 C ATOM 120 O VAL A 7 -3.813 -2.857 -4.144 1.00 0.00 O ATOM 121 CB VAL A 7 -4.822 -0.209 -3.319 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.705 0.040 -4.533 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.947 0.929 -2.318 1.00 0.00 C ATOM 0 H VAL A 7 -3.539 -1.211 -1.380 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.223 -1.542 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.788 -0.254 -3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.440 0.995 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.558 -0.759 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.750 0.062 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.698 1.871 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.970 0.973 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.263 0.759 -1.486 1.00 0.00 H new ATOM 133 N ASP A 8 -5.965 -3.470 -3.916 1.00 0.00 N ATOM 134 CA ASP A 8 -5.853 -4.590 -4.841 1.00 0.00 C ATOM 135 C ASP A 8 -7.208 -4.929 -5.451 1.00 0.00 C ATOM 136 O ASP A 8 -8.249 -4.697 -4.840 1.00 0.00 O ATOM 137 CB ASP A 8 -5.278 -5.813 -4.120 1.00 0.00 C ATOM 138 CG ASP A 8 -5.136 -7.014 -5.034 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.988 -6.814 -6.259 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.173 -8.155 -4.527 1.00 0.00 O ATOM 0 H ASP A 8 -6.893 -3.347 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.178 -4.302 -5.647 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.303 -5.560 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.924 -6.073 -3.282 1.00 0.00 H new ATOM 145 N ASP A 9 -7.186 -5.481 -6.658 1.00 0.00 N ATOM 146 CA ASP A 9 -8.412 -5.853 -7.354 1.00 0.00 C ATOM 147 C ASP A 9 -8.852 -7.266 -6.976 1.00 0.00 C ATOM 148 O ASP A 9 -9.158 -8.085 -7.843 1.00 0.00 O ATOM 149 CB ASP A 9 -8.209 -5.753 -8.868 1.00 0.00 C ATOM 150 CG ASP A 9 -9.520 -5.755 -9.629 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.336 -4.835 -9.411 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.731 -6.678 -10.444 1.00 0.00 O ATOM 0 H ASP A 9 -6.331 -5.681 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.197 -5.160 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.660 -4.840 -9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.595 -6.588 -9.205 1.00 0.00 H new ATOM 157 N GLU A 10 -8.884 -7.541 -5.677 1.00 0.00 N ATOM 158 CA GLU A 10 -9.289 -8.851 -5.181 1.00 0.00 C ATOM 159 C GLU A 10 -10.610 -8.755 -4.421 1.00 0.00 C ATOM 160 O GLU A 10 -11.301 -7.739 -4.488 1.00 0.00 O ATOM 161 CB GLU A 10 -8.204 -9.433 -4.272 1.00 0.00 C ATOM 162 CG GLU A 10 -8.006 -10.931 -4.444 1.00 0.00 C ATOM 163 CD GLU A 10 -6.590 -11.290 -4.854 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.288 -11.228 -6.064 1.00 0.00 O ATOM 165 OE2 GLU A 10 -5.784 -11.632 -3.963 1.00 0.00 O ATOM 0 H GLU A 10 -8.634 -6.873 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.427 -9.512 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.261 -8.925 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.462 -9.226 -3.233 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.248 -11.435 -3.509 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.703 -11.302 -5.196 1.00 0.00 H new ATOM 172 N GLU A 11 -10.952 -9.817 -3.699 1.00 0.00 N ATOM 173 CA GLU A 11 -12.190 -9.847 -2.928 1.00 0.00 C ATOM 174 C GLU A 11 -12.075 -8.974 -1.684 1.00 0.00 C ATOM 175 O GLU A 11 -12.971 -8.184 -1.384 1.00 0.00 O ATOM 176 CB GLU A 11 -12.533 -11.282 -2.529 1.00 0.00 C ATOM 177 CG GLU A 11 -13.956 -11.449 -2.022 1.00 0.00 C ATOM 178 CD GLU A 11 -14.847 -12.178 -3.009 1.00 0.00 C ATOM 179 OE1 GLU A 11 -14.552 -13.351 -3.318 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.837 -11.575 -3.473 1.00 0.00 O ATOM 0 H GLU A 11 -10.391 -10.666 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.989 -9.452 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.384 -11.935 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.839 -11.611 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.940 -11.997 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.380 -10.467 -1.812 1.00 0.00 H new ATOM 187 N SER A 12 -10.969 -9.120 -0.963 1.00 0.00 N ATOM 188 CA SER A 12 -10.740 -8.343 0.249 1.00 0.00 C ATOM 189 C SER A 12 -9.248 -8.113 0.480 1.00 0.00 C ATOM 190 O SER A 12 -8.727 -7.034 0.200 1.00 0.00 O ATOM 191 CB SER A 12 -11.355 -9.052 1.458 1.00 0.00 C ATOM 192 OG SER A 12 -11.435 -10.450 1.243 1.00 0.00 O ATOM 0 H SER A 12 -10.217 -9.769 -1.197 1.00 0.00 H new ATOM 0 HA SER A 12 -11.220 -7.372 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.755 -8.851 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.351 -8.653 1.650 1.00 0.00 H new ATOM 0 HG SER A 12 -11.830 -10.880 2.030 1.00 0.00 H new ATOM 198 N ILE A 13 -8.567 -9.135 0.993 1.00 0.00 N ATOM 199 CA ILE A 13 -7.136 -9.041 1.261 1.00 0.00 C ATOM 200 C ILE A 13 -6.319 -9.600 0.105 1.00 0.00 C ATOM 201 O ILE A 13 -6.835 -10.331 -0.740 1.00 0.00 O ATOM 202 CB ILE A 13 -6.744 -9.797 2.546 1.00 0.00 C ATOM 203 CG1 ILE A 13 -7.779 -9.560 3.648 1.00 0.00 C ATOM 204 CG2 ILE A 13 -5.358 -9.370 3.008 1.00 0.00 C ATOM 205 CD1 ILE A 13 -7.837 -8.127 4.127 1.00 0.00 C ATOM 0 H ILE A 13 -8.983 -10.036 1.231 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.918 -7.981 1.387 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.721 -10.864 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.763 -9.851 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.551 -10.208 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.094 -9.912 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.630 -9.593 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.356 -8.299 3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.592 -8.035 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.865 -7.837 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.096 -7.475 3.293 1.00 0.00 H new ATOM 217 N THR A 14 -5.036 -9.258 0.083 1.00 0.00 N ATOM 218 CA THR A 14 -4.137 -9.732 -0.959 1.00 0.00 C ATOM 219 C THR A 14 -3.489 -11.049 -0.538 1.00 0.00 C ATOM 220 O THR A 14 -3.544 -11.428 0.633 1.00 0.00 O ATOM 221 CB THR A 14 -3.070 -8.675 -1.261 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.287 -8.409 -0.112 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.652 -7.358 -1.731 1.00 0.00 C ATOM 0 H THR A 14 -4.596 -8.653 0.777 1.00 0.00 H new ATOM 0 HA THR A 14 -4.713 -9.907 -1.868 1.00 0.00 H new ATOM 0 HB THR A 14 -2.464 -9.097 -2.063 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.348 -8.306 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.844 -6.653 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.224 -7.519 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.307 -6.953 -0.959 1.00 0.00 H new ATOM 231 N SER A 15 -2.894 -11.753 -1.494 1.00 0.00 N ATOM 232 CA SER A 15 -2.260 -13.040 -1.214 1.00 0.00 C ATOM 233 C SER A 15 -0.971 -12.879 -0.411 1.00 0.00 C ATOM 234 O SER A 15 -0.109 -12.069 -0.750 1.00 0.00 O ATOM 235 CB SER A 15 -1.963 -13.776 -2.522 1.00 0.00 C ATOM 236 OG SER A 15 -1.103 -14.880 -2.301 1.00 0.00 O ATOM 0 H SER A 15 -2.836 -11.457 -2.468 1.00 0.00 H new ATOM 0 HA SER A 15 -2.958 -13.623 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.895 -14.121 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.504 -13.090 -3.233 1.00 0.00 H new ATOM 0 HG SER A 15 -0.929 -15.335 -3.152 1.00 0.00 H new ATOM 242 N SER A 16 -0.845 -13.679 0.652 1.00 0.00 N ATOM 243 CA SER A 16 0.341 -13.661 1.513 1.00 0.00 C ATOM 244 C SER A 16 0.349 -12.471 2.474 1.00 0.00 C ATOM 245 O SER A 16 1.224 -12.374 3.331 1.00 0.00 O ATOM 246 CB SER A 16 1.616 -13.648 0.665 1.00 0.00 C ATOM 247 OG SER A 16 1.488 -14.495 -0.463 1.00 0.00 O ATOM 0 H SER A 16 -1.556 -14.352 0.938 1.00 0.00 H new ATOM 0 HA SER A 16 0.307 -14.569 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.828 -12.630 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.463 -13.970 1.271 1.00 0.00 H new ATOM 0 HG SER A 16 2.243 -14.348 -1.070 1.00 0.00 H new ATOM 253 N LEU A 17 -0.616 -11.570 2.332 1.00 0.00 N ATOM 254 CA LEU A 17 -0.693 -10.397 3.197 1.00 0.00 C ATOM 255 C LEU A 17 -1.544 -10.681 4.432 1.00 0.00 C ATOM 256 O LEU A 17 -1.097 -10.497 5.564 1.00 0.00 O ATOM 257 CB LEU A 17 -1.282 -9.215 2.417 1.00 0.00 C ATOM 258 CG LEU A 17 -0.766 -7.809 2.778 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.932 -6.894 3.110 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.227 -7.836 3.935 1.00 0.00 C ATOM 0 H LEU A 17 -1.353 -11.628 1.630 1.00 0.00 H new ATOM 0 HA LEU A 17 0.315 -10.148 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.094 -9.382 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.363 -9.224 2.554 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.236 -7.424 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.556 -5.903 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.594 -6.821 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.484 -7.301 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.561 -6.821 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.255 -8.255 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.085 -8.451 3.664 1.00 0.00 H new ATOM 272 N SER A 18 -2.779 -11.125 4.204 1.00 0.00 N ATOM 273 CA SER A 18 -3.704 -11.430 5.295 1.00 0.00 C ATOM 274 C SER A 18 -3.031 -12.272 6.376 1.00 0.00 C ATOM 275 O SER A 18 -2.990 -11.883 7.543 1.00 0.00 O ATOM 276 CB SER A 18 -4.933 -12.163 4.754 1.00 0.00 C ATOM 277 OG SER A 18 -6.068 -11.928 5.569 1.00 0.00 O ATOM 0 H SER A 18 -3.163 -11.282 3.272 1.00 0.00 H new ATOM 0 HA SER A 18 -4.014 -10.486 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.138 -11.833 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.731 -13.233 4.707 1.00 0.00 H new ATOM 0 HG SER A 18 -6.840 -12.406 5.200 1.00 0.00 H new ATOM 283 N ALA A 19 -2.502 -13.425 5.978 1.00 0.00 N ATOM 284 CA ALA A 19 -1.828 -14.321 6.910 1.00 0.00 C ATOM 285 C ALA A 19 -0.737 -13.587 7.684 1.00 0.00 C ATOM 286 O ALA A 19 -0.543 -13.816 8.878 1.00 0.00 O ATOM 287 CB ALA A 19 -1.235 -15.504 6.161 1.00 0.00 C ATOM 0 H ALA A 19 -2.527 -13.761 5.015 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.565 -14.685 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.734 -16.167 6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.031 -16.049 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.515 -15.145 5.426 1.00 0.00 H new ATOM 293 N ILE A 20 -0.028 -12.709 6.987 1.00 0.00 N ATOM 294 CA ILE A 20 1.050 -11.936 7.591 1.00 0.00 C ATOM 295 C ILE A 20 0.520 -10.993 8.669 1.00 0.00 C ATOM 296 O ILE A 20 0.825 -11.160 9.849 1.00 0.00 O ATOM 297 CB ILE A 20 1.817 -11.134 6.516 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.710 -12.070 5.706 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.648 -10.023 7.142 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.421 -11.377 4.568 1.00 0.00 C ATOM 0 H ILE A 20 -0.181 -12.513 5.998 1.00 0.00 H new ATOM 0 HA ILE A 20 1.736 -12.641 8.061 1.00 0.00 H new ATOM 0 HB ILE A 20 1.087 -10.671 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.450 -12.519 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.105 -12.883 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.175 -9.478 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.993 -9.339 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.371 -10.455 7.833 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.039 -12.098 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.686 -10.951 3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.052 -10.581 4.964 1.00 0.00 H new ATOM 312 N LEU A 21 -0.270 -10.003 8.263 1.00 0.00 N ATOM 313 CA LEU A 21 -0.833 -9.043 9.208 1.00 0.00 C ATOM 314 C LEU A 21 -1.443 -9.753 10.412 1.00 0.00 C ATOM 315 O LEU A 21 -1.469 -9.214 11.518 1.00 0.00 O ATOM 316 CB LEU A 21 -1.889 -8.194 8.514 1.00 0.00 C ATOM 317 CG LEU A 21 -1.408 -7.517 7.233 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.398 -7.741 6.103 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.180 -6.033 7.475 1.00 0.00 C ATOM 0 H LEU A 21 -0.534 -9.845 7.291 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.028 -8.400 9.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.747 -8.823 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.236 -7.428 9.208 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.459 -7.964 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.036 -7.250 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.503 -8.810 5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.366 -7.324 6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.837 -5.563 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.113 -5.569 7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.426 -5.903 8.251 1.00 0.00 H new ATOM 331 N GLU A 22 -1.928 -10.970 10.187 1.00 0.00 N ATOM 332 CA GLU A 22 -2.533 -11.762 11.250 1.00 0.00 C ATOM 333 C GLU A 22 -1.479 -12.225 12.251 1.00 0.00 C ATOM 334 O GLU A 22 -1.774 -12.419 13.430 1.00 0.00 O ATOM 335 CB GLU A 22 -3.260 -12.967 10.662 1.00 0.00 C ATOM 336 CG GLU A 22 -4.504 -13.364 11.438 1.00 0.00 C ATOM 337 CD GLU A 22 -4.917 -14.800 11.182 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.988 -15.196 10.000 1.00 0.00 O ATOM 339 OE2 GLU A 22 -5.170 -15.529 12.165 1.00 0.00 O ATOM 0 H GLU A 22 -1.913 -11.429 9.276 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.253 -11.133 11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.540 -12.745 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.575 -13.814 10.631 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.322 -13.227 12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.325 -12.700 11.166 1.00 0.00 H new ATOM 346 N GLU A 23 -0.248 -12.395 11.775 1.00 0.00 N ATOM 347 CA GLU A 23 0.847 -12.828 12.626 1.00 0.00 C ATOM 348 C GLU A 23 1.457 -11.636 13.360 1.00 0.00 C ATOM 349 O GLU A 23 1.868 -11.748 14.514 1.00 0.00 O ATOM 350 CB GLU A 23 1.911 -13.541 11.785 1.00 0.00 C ATOM 351 CG GLU A 23 3.243 -13.717 12.495 1.00 0.00 C ATOM 352 CD GLU A 23 3.802 -15.119 12.353 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.445 -15.805 11.372 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.596 -15.531 13.224 1.00 0.00 O ATOM 0 H GLU A 23 0.012 -12.238 10.801 1.00 0.00 H new ATOM 0 HA GLU A 23 0.460 -13.525 13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.533 -14.521 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.072 -12.977 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.961 -13.002 12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.119 -13.485 13.553 1.00 0.00 H new ATOM 361 N GLU A 24 1.508 -10.495 12.679 1.00 0.00 N ATOM 362 CA GLU A 24 2.064 -9.282 13.265 1.00 0.00 C ATOM 363 C GLU A 24 1.035 -8.582 14.146 1.00 0.00 C ATOM 364 O GLU A 24 1.367 -8.051 15.206 1.00 0.00 O ATOM 365 CB GLU A 24 2.546 -8.332 12.170 1.00 0.00 C ATOM 366 CG GLU A 24 3.841 -8.773 11.509 1.00 0.00 C ATOM 367 CD GLU A 24 5.066 -8.384 12.314 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.413 -9.121 13.261 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.679 -7.343 11.998 1.00 0.00 O ATOM 0 H GLU A 24 1.171 -10.386 11.722 1.00 0.00 H new ATOM 0 HA GLU A 24 2.914 -9.567 13.886 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.771 -8.245 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.686 -7.339 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.827 -9.855 11.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.907 -8.330 10.515 1.00 0.00 H new ATOM 376 N GLY A 25 -0.215 -8.582 13.697 1.00 0.00 N ATOM 377 CA GLY A 25 -1.275 -7.944 14.449 1.00 0.00 C ATOM 378 C GLY A 25 -1.604 -6.565 13.916 1.00 0.00 C ATOM 379 O GLY A 25 -1.989 -5.672 14.672 1.00 0.00 O ATOM 0 H GLY A 25 -0.512 -9.015 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.168 -8.568 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.980 -7.866 15.495 1.00 0.00 H new ATOM 383 N TYR A 26 -1.447 -6.392 12.609 1.00 0.00 N ATOM 384 CA TYR A 26 -1.723 -5.114 11.966 1.00 0.00 C ATOM 385 C TYR A 26 -3.212 -4.945 11.693 1.00 0.00 C ATOM 386 O TYR A 26 -4.031 -5.761 12.117 1.00 0.00 O ATOM 387 CB TYR A 26 -0.946 -5.007 10.653 1.00 0.00 C ATOM 388 CG TYR A 26 0.495 -4.591 10.830 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.319 -5.237 11.741 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.028 -3.549 10.085 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.636 -4.855 11.905 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.344 -3.162 10.242 1.00 0.00 C ATOM 393 CZ TYR A 26 3.145 -3.817 11.152 1.00 0.00 C ATOM 394 OH TYR A 26 4.457 -3.434 11.311 1.00 0.00 O ATOM 0 H TYR A 26 -1.129 -7.123 11.973 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.405 -4.322 12.644 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.976 -5.970 10.144 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.445 -4.288 10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.924 -6.051 12.331 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.404 -3.032 9.371 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.264 -5.366 12.619 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.744 -2.349 9.654 1.00 0.00 H new ATOM 0 HH TYR A 26 4.994 -4.209 11.579 1.00 0.00 H new ATOM 404 N HIS A 27 -3.550 -3.880 10.976 1.00 0.00 N ATOM 405 CA HIS A 27 -4.935 -3.592 10.631 1.00 0.00 C ATOM 406 C HIS A 27 -5.042 -3.193 9.163 1.00 0.00 C ATOM 407 O HIS A 27 -4.957 -2.012 8.824 1.00 0.00 O ATOM 408 CB HIS A 27 -5.485 -2.477 11.523 1.00 0.00 C ATOM 409 CG HIS A 27 -6.788 -2.818 12.175 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.127 -4.099 12.556 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.841 -2.036 12.514 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.331 -4.091 13.101 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.785 -2.852 13.088 1.00 0.00 N ATOM 0 H HIS A 27 -2.879 -3.199 10.621 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.528 -4.492 10.793 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.751 -2.246 12.295 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.613 -1.575 10.925 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.923 -0.970 12.361 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.854 -4.952 13.491 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.691 -2.549 13.446 1.00 0.00 H new ATOM 422 N PRO A 28 -5.223 -4.178 8.268 1.00 0.00 N ATOM 423 CA PRO A 28 -5.331 -3.924 6.833 1.00 0.00 C ATOM 424 C PRO A 28 -6.709 -3.415 6.431 1.00 0.00 C ATOM 425 O PRO A 28 -7.729 -4.005 6.787 1.00 0.00 O ATOM 426 CB PRO A 28 -5.057 -5.295 6.218 1.00 0.00 C ATOM 427 CG PRO A 28 -5.512 -6.275 7.244 1.00 0.00 C ATOM 428 CD PRO A 28 -5.328 -5.614 8.588 1.00 0.00 C ATOM 0 HA PRO A 28 -4.644 -3.146 6.500 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.600 -5.423 5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.998 -5.422 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.556 -6.545 7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.932 -7.196 7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.170 -5.815 9.250 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.432 -5.977 9.092 1.00 0.00 H new ATOM 436 N ASP A 29 -6.730 -2.313 5.687 1.00 0.00 N ATOM 437 CA ASP A 29 -7.993 -1.730 5.242 1.00 0.00 C ATOM 438 C ASP A 29 -8.310 -2.104 3.806 1.00 0.00 C ATOM 439 O ASP A 29 -9.311 -1.659 3.248 1.00 0.00 O ATOM 440 CB ASP A 29 -7.995 -0.212 5.406 1.00 0.00 C ATOM 441 CG ASP A 29 -9.343 0.397 5.068 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.557 0.744 3.887 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.183 0.526 5.982 1.00 0.00 O ATOM 0 H ASP A 29 -5.897 -1.810 5.382 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.774 -2.146 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.730 0.042 6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.230 0.223 4.763 1.00 0.00 H new ATOM 448 N THR A 30 -7.434 -2.911 3.232 1.00 0.00 N ATOM 449 CA THR A 30 -7.534 -3.393 1.847 1.00 0.00 C ATOM 450 C THR A 30 -8.735 -2.848 1.079 1.00 0.00 C ATOM 451 O THR A 30 -9.885 -3.013 1.485 1.00 0.00 O ATOM 452 CB THR A 30 -7.568 -4.918 1.820 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.878 -5.397 2.064 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.649 -5.556 2.838 1.00 0.00 C ATOM 0 H THR A 30 -6.610 -3.263 3.720 1.00 0.00 H new ATOM 0 HA THR A 30 -6.645 -3.016 1.342 1.00 0.00 H new ATOM 0 HB THR A 30 -7.227 -5.195 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.269 -5.722 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.722 -6.641 2.765 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.622 -5.248 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.940 -5.240 3.840 1.00 0.00 H new ATOM 462 N ALA A 31 -8.444 -2.225 -0.053 1.00 0.00 N ATOM 463 CA ALA A 31 -9.475 -1.667 -0.915 1.00 0.00 C ATOM 464 C ALA A 31 -9.603 -2.493 -2.193 1.00 0.00 C ATOM 465 O ALA A 31 -9.168 -3.643 -2.241 1.00 0.00 O ATOM 466 CB ALA A 31 -9.160 -0.214 -1.242 1.00 0.00 C ATOM 0 H ALA A 31 -7.493 -2.092 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.429 -1.702 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.939 0.191 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.116 0.365 -0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.199 -0.156 -1.753 1.00 0.00 H new ATOM 472 N LYS A 32 -10.196 -1.905 -3.228 1.00 0.00 N ATOM 473 CA LYS A 32 -10.371 -2.602 -4.498 1.00 0.00 C ATOM 474 C LYS A 32 -9.538 -1.951 -5.596 1.00 0.00 C ATOM 475 O LYS A 32 -9.066 -2.622 -6.513 1.00 0.00 O ATOM 476 CB LYS A 32 -11.847 -2.617 -4.903 1.00 0.00 C ATOM 477 CG LYS A 32 -12.803 -2.779 -3.733 1.00 0.00 C ATOM 478 CD LYS A 32 -14.251 -2.622 -4.170 1.00 0.00 C ATOM 479 CE LYS A 32 -15.200 -3.340 -3.225 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.161 -2.763 -1.852 1.00 0.00 N ATOM 0 H LYS A 32 -10.562 -0.953 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.029 -3.629 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.080 -1.689 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.012 -3.430 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.663 -3.761 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.571 -2.039 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.507 -1.563 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.372 -3.017 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.216 -3.279 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.938 -4.397 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.822 -3.281 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.198 -2.844 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.436 -1.761 -1.889 1.00 0.00 H new ATOM 494 N THR A 33 -9.359 -0.639 -5.497 1.00 0.00 N ATOM 495 CA THR A 33 -8.581 0.102 -6.481 1.00 0.00 C ATOM 496 C THR A 33 -8.183 1.468 -5.935 1.00 0.00 C ATOM 497 O THR A 33 -8.444 1.783 -4.774 1.00 0.00 O ATOM 498 CB THR A 33 -9.378 0.271 -7.775 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.394 -0.710 -7.872 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.524 0.171 -9.021 1.00 0.00 C ATOM 0 H THR A 33 -9.742 -0.067 -4.745 1.00 0.00 H new ATOM 0 HA THR A 33 -7.676 -0.466 -6.695 1.00 0.00 H new ATOM 0 HB THR A 33 -9.802 1.274 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.893 -0.583 -8.706 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.151 0.300 -9.903 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.760 0.948 -9.002 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.045 -0.807 -9.056 1.00 0.00 H new ATOM 508 N LEU A 34 -7.552 2.276 -6.778 1.00 0.00 N ATOM 509 CA LEU A 34 -7.121 3.608 -6.376 1.00 0.00 C ATOM 510 C LEU A 34 -8.322 4.477 -6.021 1.00 0.00 C ATOM 511 O LEU A 34 -8.313 5.180 -5.011 1.00 0.00 O ATOM 512 CB LEU A 34 -6.305 4.260 -7.492 1.00 0.00 C ATOM 513 CG LEU A 34 -5.150 3.409 -8.023 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.795 3.818 -9.443 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.938 3.527 -7.109 1.00 0.00 C ATOM 0 H LEU A 34 -7.328 2.032 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.492 3.514 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.973 4.498 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.903 5.204 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.467 2.366 -8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.971 3.202 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.662 3.680 -10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.497 4.866 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.126 2.915 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.618 4.568 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.201 3.182 -6.109 1.00 0.00 H new ATOM 527 N ARG A 35 -9.360 4.417 -6.850 1.00 0.00 N ATOM 528 CA ARG A 35 -10.572 5.192 -6.608 1.00 0.00 C ATOM 529 C ARG A 35 -11.147 4.855 -5.238 1.00 0.00 C ATOM 530 O ARG A 35 -11.368 5.738 -4.408 1.00 0.00 O ATOM 531 CB ARG A 35 -11.610 4.914 -7.696 1.00 0.00 C ATOM 532 CG ARG A 35 -12.860 5.771 -7.577 1.00 0.00 C ATOM 533 CD ARG A 35 -14.115 4.921 -7.471 1.00 0.00 C ATOM 534 NE ARG A 35 -15.330 5.726 -7.564 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.786 6.497 -6.580 1.00 0.00 C ATOM 536 NH1 ARG A 35 -15.131 6.571 -5.428 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.899 7.197 -6.749 1.00 0.00 N ATOM 0 H ARG A 35 -9.386 3.842 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.316 6.251 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.155 5.083 -8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.895 3.863 -7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.779 6.412 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.936 6.426 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.114 4.173 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.109 4.382 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.860 5.695 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.273 6.035 -5.294 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.485 7.164 -4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.405 7.144 -7.633 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.249 7.788 -5.995 1.00 0.00 H new ATOM 551 N GLU A 36 -11.372 3.566 -5.004 1.00 0.00 N ATOM 552 CA GLU A 36 -11.905 3.105 -3.729 1.00 0.00 C ATOM 553 C GLU A 36 -10.914 3.400 -2.609 1.00 0.00 C ATOM 554 O GLU A 36 -11.304 3.619 -1.461 1.00 0.00 O ATOM 555 CB GLU A 36 -12.207 1.604 -3.787 1.00 0.00 C ATOM 556 CG GLU A 36 -13.684 1.275 -3.638 1.00 0.00 C ATOM 557 CD GLU A 36 -14.439 1.379 -4.948 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.080 2.244 -5.774 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.391 0.595 -5.148 1.00 0.00 O ATOM 0 H GLU A 36 -11.193 2.824 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.834 3.638 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.848 1.206 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.649 1.099 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.789 0.265 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.132 1.952 -2.910 1.00 0.00 H new ATOM 566 N ALA A 37 -9.628 3.411 -2.952 1.00 0.00 N ATOM 567 CA ALA A 37 -8.579 3.687 -1.981 1.00 0.00 C ATOM 568 C ALA A 37 -8.589 5.155 -1.578 1.00 0.00 C ATOM 569 O ALA A 37 -8.213 5.504 -0.460 1.00 0.00 O ATOM 570 CB ALA A 37 -7.220 3.299 -2.541 1.00 0.00 C ATOM 0 H ALA A 37 -9.290 3.231 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.772 3.087 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.448 3.512 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.214 2.235 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.023 3.872 -3.447 1.00 0.00 H new ATOM 576 N GLU A 38 -9.040 6.013 -2.489 1.00 0.00 N ATOM 577 CA GLU A 38 -9.115 7.441 -2.213 1.00 0.00 C ATOM 578 C GLU A 38 -10.237 7.717 -1.222 1.00 0.00 C ATOM 579 O GLU A 38 -10.073 8.492 -0.279 1.00 0.00 O ATOM 580 CB GLU A 38 -9.349 8.225 -3.503 1.00 0.00 C ATOM 581 CG GLU A 38 -8.166 8.193 -4.458 1.00 0.00 C ATOM 582 CD GLU A 38 -8.574 8.437 -5.898 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.016 9.563 -6.207 1.00 0.00 O ATOM 584 OE2 GLU A 38 -8.450 7.501 -6.717 1.00 0.00 O ATOM 0 H GLU A 38 -9.357 5.744 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.168 7.764 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.225 7.821 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.575 9.261 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.440 8.948 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.669 7.226 -4.384 1.00 0.00 H new ATOM 591 N LYS A 39 -11.371 7.063 -1.437 1.00 0.00 N ATOM 592 CA LYS A 39 -12.521 7.218 -0.558 1.00 0.00 C ATOM 593 C LYS A 39 -12.199 6.662 0.826 1.00 0.00 C ATOM 594 O LYS A 39 -12.678 7.170 1.839 1.00 0.00 O ATOM 595 CB LYS A 39 -13.740 6.503 -1.150 1.00 0.00 C ATOM 596 CG LYS A 39 -14.906 6.371 -0.182 1.00 0.00 C ATOM 597 CD LYS A 39 -14.768 5.134 0.692 1.00 0.00 C ATOM 598 CE LYS A 39 -15.992 4.238 0.590 1.00 0.00 C ATOM 599 NZ LYS A 39 -15.935 3.356 -0.609 1.00 0.00 N ATOM 0 H LYS A 39 -11.518 6.419 -2.214 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.753 8.279 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.074 7.046 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.441 5.509 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.959 7.259 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.840 6.320 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.881 4.575 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.622 5.435 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.070 3.625 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.890 4.854 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.880 3.294 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.265 3.752 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.620 2.406 -0.326 1.00 0.00 H new ATOM 613 N LYS A 40 -11.379 5.615 0.857 1.00 0.00 N ATOM 614 CA LYS A 40 -10.986 4.987 2.111 1.00 0.00 C ATOM 615 C LYS A 40 -9.954 5.837 2.845 1.00 0.00 C ATOM 616 O LYS A 40 -9.955 5.904 4.074 1.00 0.00 O ATOM 617 CB LYS A 40 -10.424 3.589 1.853 1.00 0.00 C ATOM 618 CG LYS A 40 -11.419 2.645 1.197 1.00 0.00 C ATOM 619 CD LYS A 40 -12.211 1.864 2.234 1.00 0.00 C ATOM 620 CE LYS A 40 -13.574 1.453 1.700 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.524 0.140 0.999 1.00 0.00 N ATOM 0 H LYS A 40 -10.974 5.184 0.026 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.873 4.902 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.542 3.672 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.096 3.158 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.103 3.215 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.889 1.952 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.651 0.976 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.338 2.472 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.285 1.397 2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.940 2.217 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.473 -0.104 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.865 0.200 0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.199 -0.594 1.660 1.00 0.00 H new ATOM 635 N ILE A 41 -9.076 6.488 2.086 1.00 0.00 N ATOM 636 CA ILE A 41 -8.045 7.334 2.674 1.00 0.00 C ATOM 637 C ILE A 41 -8.637 8.660 3.148 1.00 0.00 C ATOM 638 O ILE A 41 -8.113 9.290 4.066 1.00 0.00 O ATOM 639 CB ILE A 41 -6.901 7.611 1.674 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.215 6.303 1.278 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.887 8.580 2.269 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.635 6.323 -0.119 1.00 0.00 C ATOM 0 H ILE A 41 -9.059 6.445 1.067 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.636 6.795 3.529 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.329 8.068 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.418 6.090 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.935 5.488 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.090 8.761 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.381 9.522 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.464 8.151 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.164 5.363 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.431 6.504 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.891 7.116 -0.193 1.00 0.00 H new ATOM 654 N LYS A 42 -9.734 9.073 2.520 1.00 0.00 N ATOM 655 CA LYS A 42 -10.398 10.319 2.883 1.00 0.00 C ATOM 656 C LYS A 42 -11.229 10.154 4.156 1.00 0.00 C ATOM 657 O LYS A 42 -11.785 11.123 4.671 1.00 0.00 O ATOM 658 CB LYS A 42 -11.288 10.798 1.740 1.00 0.00 C ATOM 659 CG LYS A 42 -10.521 11.461 0.606 1.00 0.00 C ATOM 660 CD LYS A 42 -11.458 12.154 -0.371 1.00 0.00 C ATOM 661 CE LYS A 42 -10.843 13.427 -0.930 1.00 0.00 C ATOM 662 NZ LYS A 42 -10.637 13.346 -2.403 1.00 0.00 N ATOM 0 H LYS A 42 -10.181 8.563 1.758 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.626 11.065 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.844 9.948 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.021 11.503 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.819 12.187 1.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.932 10.712 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.698 11.475 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.396 12.392 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.490 14.274 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.888 13.614 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.907 14.029 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.331 12.385 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.529 13.567 -2.891 1.00 0.00 H new ATOM 676 N GLU A 43 -11.313 8.923 4.658 1.00 0.00 N ATOM 677 CA GLU A 43 -12.078 8.644 5.866 1.00 0.00 C ATOM 678 C GLU A 43 -11.163 8.513 7.079 1.00 0.00 C ATOM 679 O GLU A 43 -11.380 9.159 8.104 1.00 0.00 O ATOM 680 CB GLU A 43 -12.899 7.369 5.693 1.00 0.00 C ATOM 681 CG GLU A 43 -14.175 7.571 4.893 1.00 0.00 C ATOM 682 CD GLU A 43 -15.332 6.746 5.420 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.129 5.545 5.695 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.442 7.301 5.558 1.00 0.00 O ATOM 0 H GLU A 43 -10.861 8.107 4.246 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.753 9.483 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.285 6.616 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.155 6.976 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.448 8.626 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.991 7.308 3.851 1.00 0.00 H new ATOM 691 N LEU A 44 -10.141 7.671 6.958 1.00 0.00 N ATOM 692 CA LEU A 44 -9.197 7.457 8.050 1.00 0.00 C ATOM 693 C LEU A 44 -7.787 7.882 7.648 1.00 0.00 C ATOM 694 O LEU A 44 -7.561 8.347 6.531 1.00 0.00 O ATOM 695 CB LEU A 44 -9.205 5.988 8.481 1.00 0.00 C ATOM 696 CG LEU A 44 -8.540 5.013 7.512 1.00 0.00 C ATOM 697 CD1 LEU A 44 -7.076 4.814 7.880 1.00 0.00 C ATOM 698 CD2 LEU A 44 -9.283 3.684 7.511 1.00 0.00 C ATOM 0 H LEU A 44 -9.946 7.127 6.117 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.510 8.074 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.707 5.909 9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.239 5.677 8.629 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.584 5.432 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.616 4.116 7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.556 5.771 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.006 4.412 8.891 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.799 2.997 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.266 3.257 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.316 3.845 7.202 1.00 0.00 H new ATOM 710 N PHE A 45 -6.843 7.721 8.571 1.00 0.00 N ATOM 711 CA PHE A 45 -5.454 8.090 8.320 1.00 0.00 C ATOM 712 C PHE A 45 -4.586 6.848 8.142 1.00 0.00 C ATOM 713 O PHE A 45 -4.358 6.099 9.093 1.00 0.00 O ATOM 714 CB PHE A 45 -4.916 8.940 9.474 1.00 0.00 C ATOM 715 CG PHE A 45 -3.751 9.809 9.090 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.580 9.247 8.603 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.826 11.187 9.219 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.508 10.045 8.251 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.757 11.989 8.869 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.596 11.418 8.385 1.00 0.00 C ATOM 0 H PHE A 45 -7.015 7.337 9.500 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.418 8.672 7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.719 9.571 9.854 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.614 8.282 10.289 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.505 8.175 8.498 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.731 11.639 9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.602 9.596 7.871 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.829 13.062 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.759 12.043 8.112 1.00 0.00 H new ATOM 730 N PHE A 46 -4.110 6.632 6.921 1.00 0.00 N ATOM 731 CA PHE A 46 -3.273 5.478 6.622 1.00 0.00 C ATOM 732 C PHE A 46 -1.790 5.847 6.632 1.00 0.00 C ATOM 733 O PHE A 46 -1.323 6.593 5.772 1.00 0.00 O ATOM 734 CB PHE A 46 -3.652 4.891 5.264 1.00 0.00 C ATOM 735 CG PHE A 46 -5.008 4.254 5.257 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.250 3.108 5.997 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.043 4.801 4.518 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.501 2.521 6.001 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.295 4.218 4.517 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.523 3.078 5.259 1.00 0.00 C ATOM 0 H PHE A 46 -4.290 7.241 6.123 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.442 4.733 7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.624 5.681 4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.907 4.150 4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.452 2.669 6.577 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.869 5.694 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.679 1.629 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.094 4.654 3.936 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.502 2.621 5.259 1.00 0.00 H new ATOM 750 N PRO A 47 -1.025 5.316 7.603 1.00 0.00 N ATOM 751 CA PRO A 47 0.413 5.582 7.712 1.00 0.00 C ATOM 752 C PRO A 47 1.210 4.855 6.634 1.00 0.00 C ATOM 753 O PRO A 47 2.350 5.214 6.336 1.00 0.00 O ATOM 754 CB PRO A 47 0.768 5.026 9.092 1.00 0.00 C ATOM 755 CG PRO A 47 -0.230 3.948 9.328 1.00 0.00 C ATOM 756 CD PRO A 47 -1.498 4.404 8.662 1.00 0.00 C ATOM 0 HA PRO A 47 0.647 6.639 7.587 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.786 4.636 9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.707 5.798 9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.112 3.001 8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.386 3.787 10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.058 3.565 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.159 4.913 9.364 1.00 0.00 H new ATOM 764 N VAL A 48 0.599 3.830 6.054 1.00 0.00 N ATOM 765 CA VAL A 48 1.240 3.044 5.016 1.00 0.00 C ATOM 766 C VAL A 48 0.223 2.503 4.020 1.00 0.00 C ATOM 767 O VAL A 48 -0.811 1.971 4.408 1.00 0.00 O ATOM 768 CB VAL A 48 1.990 1.858 5.631 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.984 1.270 4.645 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.675 2.296 6.907 1.00 0.00 C ATOM 0 H VAL A 48 -0.345 3.525 6.289 1.00 0.00 H new ATOM 0 HA VAL A 48 1.936 3.703 4.497 1.00 0.00 H new ATOM 0 HB VAL A 48 1.273 1.073 5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.502 0.430 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.455 0.925 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.710 2.032 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.208 1.451 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.382 3.095 6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.929 2.658 7.614 1.00 0.00 H new ATOM 780 N ILE A 49 0.535 2.630 2.738 1.00 0.00 N ATOM 781 CA ILE A 49 -0.331 2.140 1.677 1.00 0.00 C ATOM 782 C ILE A 49 0.391 1.049 0.897 1.00 0.00 C ATOM 783 O ILE A 49 1.621 0.986 0.910 1.00 0.00 O ATOM 784 CB ILE A 49 -0.743 3.267 0.711 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.200 4.500 1.494 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.846 2.788 -0.222 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.377 4.234 2.407 1.00 0.00 C ATOM 0 H ILE A 49 1.391 3.073 2.406 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.235 1.743 2.139 1.00 0.00 H new ATOM 0 HB ILE A 49 0.123 3.543 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.366 4.872 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.467 5.289 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.126 3.595 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.488 1.937 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.714 2.488 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.647 5.152 2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.226 3.891 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.108 3.468 3.134 1.00 0.00 H new ATOM 799 N VAL A 50 -0.361 0.184 0.226 1.00 0.00 N ATOM 800 CA VAL A 50 0.250 -0.896 -0.536 1.00 0.00 C ATOM 801 C VAL A 50 -0.605 -1.314 -1.720 1.00 0.00 C ATOM 802 O VAL A 50 -1.578 -2.055 -1.574 1.00 0.00 O ATOM 803 CB VAL A 50 0.517 -2.126 0.348 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.247 -3.209 -0.433 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.308 -1.721 1.577 1.00 0.00 C ATOM 0 H VAL A 50 -1.380 0.209 0.194 1.00 0.00 H new ATOM 0 HA VAL A 50 1.197 -0.506 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.440 -2.537 0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.424 -4.068 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.640 -3.516 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.201 -2.820 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.492 -2.599 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.260 -1.287 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.741 -0.986 2.148 1.00 0.00 H new ATOM 815 N LEU A 51 -0.216 -0.848 -2.895 1.00 0.00 N ATOM 816 CA LEU A 51 -0.923 -1.183 -4.122 1.00 0.00 C ATOM 817 C LEU A 51 -0.596 -2.615 -4.532 1.00 0.00 C ATOM 818 O LEU A 51 0.310 -3.234 -3.974 1.00 0.00 O ATOM 819 CB LEU A 51 -0.545 -0.207 -5.242 1.00 0.00 C ATOM 820 CG LEU A 51 -1.465 -0.229 -6.465 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.923 -0.117 -6.042 1.00 0.00 C ATOM 822 CD2 LEU A 51 -1.101 0.896 -7.421 1.00 0.00 C ATOM 0 H LEU A 51 0.588 -0.234 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.995 -1.101 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.535 0.803 -4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.471 -0.429 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.330 -1.180 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.561 -0.134 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.179 -0.955 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.075 0.818 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.764 0.867 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.209 1.854 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.069 0.774 -7.751 1.00 0.00 H new ATOM 834 N ASP A 52 -1.339 -3.143 -5.495 1.00 0.00 N ATOM 835 CA ASP A 52 -1.121 -4.510 -5.958 1.00 0.00 C ATOM 836 C ASP A 52 -0.950 -4.564 -7.471 1.00 0.00 C ATOM 837 O ASP A 52 -0.031 -5.210 -7.977 1.00 0.00 O ATOM 838 CB ASP A 52 -2.288 -5.404 -5.535 1.00 0.00 C ATOM 839 CG ASP A 52 -1.945 -6.880 -5.619 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.994 -7.307 -4.931 1.00 0.00 O ATOM 841 OD2 ASP A 52 -2.627 -7.606 -6.373 1.00 0.00 O ATOM 0 H ASP A 52 -2.095 -2.650 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.202 -4.874 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.579 -5.159 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.150 -5.197 -6.170 1.00 0.00 H new ATOM 846 N VAL A 53 -1.840 -3.890 -8.191 1.00 0.00 N ATOM 847 CA VAL A 53 -1.785 -3.868 -9.647 1.00 0.00 C ATOM 848 C VAL A 53 -2.119 -5.240 -10.227 1.00 0.00 C ATOM 849 O VAL A 53 -1.532 -5.666 -11.223 1.00 0.00 O ATOM 850 CB VAL A 53 -0.397 -3.423 -10.153 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.409 -3.234 -11.663 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.040 -2.144 -9.454 1.00 0.00 C ATOM 0 H VAL A 53 -2.608 -3.352 -7.790 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.528 -3.145 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 53 0.322 -4.207 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.580 -2.920 -11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.674 -4.175 -12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.141 -2.471 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.021 -1.845 -9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.681 -1.353 -9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.094 -2.317 -8.379 1.00 0.00 H new ATOM 862 N TRP A 54 -3.068 -5.930 -9.598 1.00 0.00 N ATOM 863 CA TRP A 54 -3.481 -7.253 -10.054 1.00 0.00 C ATOM 864 C TRP A 54 -4.107 -7.169 -11.446 1.00 0.00 C ATOM 865 O TRP A 54 -3.437 -7.411 -12.451 1.00 0.00 O ATOM 866 CB TRP A 54 -4.468 -7.873 -9.058 1.00 0.00 C ATOM 867 CG TRP A 54 -5.075 -9.161 -9.531 1.00 0.00 C ATOM 868 CD1 TRP A 54 -6.397 -9.497 -9.516 1.00 0.00 C ATOM 869 CD2 TRP A 54 -4.380 -10.284 -10.087 1.00 0.00 C ATOM 870 NE1 TRP A 54 -6.569 -10.760 -10.029 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.345 -11.264 -10.386 1.00 0.00 C ATOM 872 CE3 TRP A 54 -3.037 -10.555 -10.361 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -5.010 -12.494 -10.946 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.705 -11.778 -10.916 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.688 -12.733 -11.203 1.00 0.00 C ATOM 0 H TRP A 54 -3.564 -5.595 -8.772 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.599 -7.891 -10.113 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.954 -8.050 -8.113 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.266 -7.158 -8.858 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.193 -8.863 -9.154 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.462 -11.244 -10.128 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.273 -9.824 -10.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.766 -13.232 -11.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.670 -12.000 -11.132 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.396 -13.678 -11.636 1.00 0.00 H new ATOM 886 N MET A 55 -5.388 -6.816 -11.501 1.00 0.00 N ATOM 887 CA MET A 55 -6.089 -6.691 -12.771 1.00 0.00 C ATOM 888 C MET A 55 -7.231 -5.675 -12.680 1.00 0.00 C ATOM 889 O MET A 55 -8.348 -5.951 -13.115 1.00 0.00 O ATOM 890 CB MET A 55 -6.635 -8.052 -13.207 1.00 0.00 C ATOM 891 CG MET A 55 -6.595 -8.274 -14.710 1.00 0.00 C ATOM 892 SD MET A 55 -8.006 -9.222 -15.310 1.00 0.00 S ATOM 893 CE MET A 55 -7.296 -10.864 -15.403 1.00 0.00 C ATOM 0 H MET A 55 -5.959 -6.612 -10.681 1.00 0.00 H new ATOM 0 HA MET A 55 -5.376 -6.333 -13.513 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.060 -8.838 -12.717 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.664 -8.148 -12.862 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.570 -7.309 -15.215 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.674 -8.795 -14.972 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.049 -11.566 -15.760 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.451 -10.857 -16.092 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.955 -11.169 -14.414 1.00 0.00 H new ATOM 903 N PRO A 56 -6.970 -4.478 -12.114 1.00 0.00 N ATOM 904 CA PRO A 56 -7.971 -3.433 -11.971 1.00 0.00 C ATOM 905 C PRO A 56 -7.923 -2.429 -13.119 1.00 0.00 C ATOM 906 O PRO A 56 -7.352 -2.704 -14.174 1.00 0.00 O ATOM 907 CB PRO A 56 -7.563 -2.759 -10.657 1.00 0.00 C ATOM 908 CG PRO A 56 -6.116 -3.108 -10.439 1.00 0.00 C ATOM 909 CD PRO A 56 -5.692 -4.027 -11.561 1.00 0.00 C ATOM 0 HA PRO A 56 -8.988 -3.824 -11.978 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.699 -1.679 -10.715 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.178 -3.114 -9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.502 -2.207 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.981 -3.596 -9.473 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.091 -3.505 -12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.093 -4.861 -11.196 1.00 0.00 H new ATOM 917 N ASP A 57 -8.521 -1.263 -12.900 1.00 0.00 N ATOM 918 CA ASP A 57 -8.541 -0.212 -13.911 1.00 0.00 C ATOM 919 C ASP A 57 -7.893 1.061 -13.376 1.00 0.00 C ATOM 920 O ASP A 57 -8.251 2.168 -13.779 1.00 0.00 O ATOM 921 CB ASP A 57 -9.977 0.077 -14.349 1.00 0.00 C ATOM 922 CG ASP A 57 -10.688 -1.163 -14.857 1.00 0.00 C ATOM 923 OD1 ASP A 57 -10.748 -2.161 -14.109 1.00 0.00 O ATOM 924 OD2 ASP A 57 -11.186 -1.134 -16.002 1.00 0.00 O ATOM 0 H ASP A 57 -8.998 -1.022 -12.031 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.971 -0.557 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.533 0.493 -13.509 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.969 0.835 -15.133 1.00 0.00 H new ATOM 929 N GLY A 58 -6.938 0.896 -12.466 1.00 0.00 N ATOM 930 CA GLY A 58 -6.258 2.038 -11.888 1.00 0.00 C ATOM 931 C GLY A 58 -4.918 2.312 -12.544 1.00 0.00 C ATOM 932 O GLY A 58 -4.855 2.950 -13.594 1.00 0.00 O ATOM 0 H GLY A 58 -6.623 -0.010 -12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.892 2.920 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.108 1.866 -10.822 1.00 0.00 H new ATOM 936 N ASP A 59 -3.845 1.835 -11.920 1.00 0.00 N ATOM 937 CA ASP A 59 -2.499 2.038 -12.447 1.00 0.00 C ATOM 938 C ASP A 59 -2.225 3.524 -12.657 1.00 0.00 C ATOM 939 O ASP A 59 -1.855 3.952 -13.751 1.00 0.00 O ATOM 940 CB ASP A 59 -2.325 1.279 -13.764 1.00 0.00 C ATOM 941 CG ASP A 59 -0.903 0.792 -13.968 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.237 0.468 -12.963 1.00 0.00 O ATOM 943 OD2 ASP A 59 -0.456 0.736 -15.133 1.00 0.00 O ATOM 0 H ASP A 59 -3.881 1.305 -11.049 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.783 1.652 -11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.004 0.426 -13.781 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.607 1.927 -14.594 1.00 0.00 H new ATOM 948 N GLY A 60 -2.417 4.307 -11.601 1.00 0.00 N ATOM 949 CA GLY A 60 -2.194 5.738 -11.687 1.00 0.00 C ATOM 950 C GLY A 60 -0.856 6.158 -11.113 1.00 0.00 C ATOM 951 O GLY A 60 -0.668 6.170 -9.897 1.00 0.00 O ATOM 0 H GLY A 60 -2.723 3.976 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.250 6.048 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.992 6.258 -11.156 1.00 0.00 H new ATOM 955 N VAL A 61 0.074 6.509 -11.994 1.00 0.00 N ATOM 956 CA VAL A 61 1.398 6.939 -11.583 1.00 0.00 C ATOM 957 C VAL A 61 1.327 8.229 -10.773 1.00 0.00 C ATOM 958 O VAL A 61 2.134 8.454 -9.878 1.00 0.00 O ATOM 959 CB VAL A 61 2.298 7.157 -12.812 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.651 7.696 -12.397 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.448 5.863 -13.597 1.00 0.00 C ATOM 0 H VAL A 61 -0.070 6.503 -13.004 1.00 0.00 H new ATOM 0 HA VAL A 61 1.823 6.154 -10.958 1.00 0.00 H new ATOM 0 HB VAL A 61 1.825 7.896 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.271 7.843 -13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.521 8.648 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.136 6.985 -11.728 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.087 6.035 -14.463 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.897 5.101 -12.960 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.467 5.525 -13.932 1.00 0.00 H new ATOM 971 N ASN A 62 0.357 9.070 -11.101 1.00 0.00 N ATOM 972 CA ASN A 62 0.178 10.340 -10.405 1.00 0.00 C ATOM 973 C ASN A 62 -0.544 10.147 -9.069 1.00 0.00 C ATOM 974 O ASN A 62 -0.724 11.100 -8.311 1.00 0.00 O ATOM 975 CB ASN A 62 -0.602 11.320 -11.285 1.00 0.00 C ATOM 976 CG ASN A 62 0.236 12.513 -11.705 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.205 13.658 -11.616 1.00 0.00 O ATOM 978 ND2 ASN A 62 1.453 12.248 -12.166 1.00 0.00 N ATOM 0 H ASN A 62 -0.319 8.898 -11.845 1.00 0.00 H new ATOM 0 HA ASN A 62 1.167 10.750 -10.199 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.960 10.800 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.481 11.669 -10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.063 13.010 -12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.778 11.283 -12.223 1.00 0.00 H new ATOM 985 N PHE A 63 -0.959 8.913 -8.783 1.00 0.00 N ATOM 986 CA PHE A 63 -1.661 8.612 -7.538 1.00 0.00 C ATOM 987 C PHE A 63 -0.789 8.930 -6.329 1.00 0.00 C ATOM 988 O PHE A 63 -1.297 9.298 -5.270 1.00 0.00 O ATOM 989 CB PHE A 63 -2.076 7.139 -7.502 1.00 0.00 C ATOM 990 CG PHE A 63 -2.858 6.762 -6.273 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.936 7.528 -5.860 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.519 5.638 -5.534 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.661 7.183 -4.735 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.240 5.288 -4.408 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.312 6.061 -4.008 1.00 0.00 C ATOM 0 H PHE A 63 -0.821 8.109 -9.395 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.553 9.237 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.675 6.918 -8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.183 6.517 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.213 8.406 -6.424 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.682 5.029 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.499 7.789 -4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.965 4.411 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.877 5.789 -3.128 1.00 0.00 H new ATOM 1005 N ILE A 64 0.523 8.781 -6.494 1.00 0.00 N ATOM 1006 CA ILE A 64 1.473 9.046 -5.408 1.00 0.00 C ATOM 1007 C ILE A 64 1.158 10.373 -4.720 1.00 0.00 C ATOM 1008 O ILE A 64 1.266 10.491 -3.500 1.00 0.00 O ATOM 1009 CB ILE A 64 2.953 9.075 -5.881 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.106 8.625 -7.340 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.814 8.212 -4.971 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.865 7.144 -7.562 1.00 0.00 C ATOM 0 H ILE A 64 0.956 8.479 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 64 1.357 8.216 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 64 3.290 10.110 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.410 9.192 -7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.111 8.873 -7.682 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.848 8.241 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.759 8.592 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.453 7.184 -4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.993 6.909 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.578 6.567 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.851 6.890 -7.254 1.00 0.00 H new ATOM 1024 N ASP A 65 0.767 11.367 -5.512 1.00 0.00 N ATOM 1025 CA ASP A 65 0.436 12.682 -4.976 1.00 0.00 C ATOM 1026 C ASP A 65 -0.755 12.595 -4.031 1.00 0.00 C ATOM 1027 O ASP A 65 -0.681 13.042 -2.886 1.00 0.00 O ATOM 1028 CB ASP A 65 0.137 13.662 -6.113 1.00 0.00 C ATOM 1029 CG ASP A 65 0.721 15.037 -5.859 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.872 15.114 -5.379 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.030 16.038 -6.142 1.00 0.00 O ATOM 0 H ASP A 65 0.672 11.287 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 65 1.296 13.047 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.539 13.266 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.942 13.747 -6.242 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.849 12.009 -4.509 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.046 11.859 -3.688 1.00 0.00 C ATOM 1038 C PHE A 66 -2.690 11.226 -2.349 1.00 0.00 C ATOM 1039 O PHE A 66 -3.323 11.500 -1.328 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.091 11.003 -4.411 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.335 10.767 -3.602 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.345 9.831 -2.581 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.493 11.482 -3.862 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.486 9.612 -1.833 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.638 11.268 -3.118 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.634 10.332 -2.102 1.00 0.00 C ATOM 0 H PHE A 66 -1.931 11.633 -5.453 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.468 12.848 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.363 11.490 -5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.647 10.042 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.450 9.266 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.501 12.215 -4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.480 8.879 -1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.534 11.832 -3.331 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.527 10.163 -1.519 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.661 10.385 -2.362 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.202 9.720 -1.152 1.00 0.00 C ATOM 1058 C ILE A 67 -0.662 10.743 -0.159 1.00 0.00 C ATOM 1059 O ILE A 67 -1.087 10.793 0.995 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.100 8.680 -1.451 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.381 7.928 -2.759 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.031 7.705 -0.292 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.806 7.429 -2.905 1.00 0.00 C ATOM 0 H ILE A 67 -1.129 10.149 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.060 9.201 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 67 0.843 9.213 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.152 8.586 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.297 7.077 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.811 6.977 -0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.293 8.251 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.917 7.187 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.914 6.910 -3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.037 6.743 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.493 8.275 -2.873 1.00 0.00 H new ATOM 1075 N LYS A 68 0.272 11.566 -0.625 1.00 0.00 N ATOM 1076 CA LYS A 68 0.866 12.602 0.212 1.00 0.00 C ATOM 1077 C LYS A 68 -0.111 13.757 0.423 1.00 0.00 C ATOM 1078 O LYS A 68 0.041 14.547 1.354 1.00 0.00 O ATOM 1079 CB LYS A 68 2.157 13.120 -0.422 1.00 0.00 C ATOM 1080 CG LYS A 68 3.195 12.035 -0.667 1.00 0.00 C ATOM 1081 CD LYS A 68 4.601 12.532 -0.373 1.00 0.00 C ATOM 1082 CE LYS A 68 5.443 11.460 0.300 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.390 10.818 -0.653 1.00 0.00 N ATOM 0 H LYS A 68 0.634 11.535 -1.578 1.00 0.00 H new ATOM 0 HA LYS A 68 1.097 12.163 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.918 13.603 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.588 13.884 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.975 11.171 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.135 11.700 -1.703 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.080 12.842 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.550 13.412 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.002 11.902 1.125 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.789 10.701 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.280 10.598 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.971 9.940 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.581 11.467 -1.443 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.114 13.846 -0.447 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.115 14.902 -0.356 1.00 0.00 C ATOM 1099 C GLU A 69 -2.953 14.748 0.907 1.00 0.00 C ATOM 1100 O GLU A 69 -3.217 15.721 1.613 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.022 14.877 -1.586 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.965 16.066 -1.671 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.176 15.790 -2.539 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.825 14.742 -2.336 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.476 16.619 -3.423 1.00 0.00 O ATOM 0 H GLU A 69 -1.254 13.199 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.595 15.859 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.403 14.850 -2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.609 13.959 -1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.296 16.335 -0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.425 16.925 -2.070 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.373 13.518 1.184 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.187 13.233 2.362 1.00 0.00 C ATOM 1114 C ASN A 70 -3.441 12.341 3.354 1.00 0.00 C ATOM 1115 O ASN A 70 -4.029 11.847 4.317 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.500 12.566 1.945 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.097 13.199 0.703 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.097 13.913 0.773 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.483 12.936 -0.446 1.00 0.00 N ATOM 0 H ASN A 70 -3.164 12.702 0.609 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.403 14.180 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.324 11.506 1.761 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.216 12.633 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.838 13.332 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.656 12.338 -0.457 1.00 0.00 H new ATOM 1126 N SER A 71 -2.146 12.140 3.121 1.00 0.00 N ATOM 1127 CA SER A 71 -1.334 11.310 4.002 1.00 0.00 C ATOM 1128 C SER A 71 0.151 11.629 3.833 1.00 0.00 C ATOM 1129 O SER A 71 0.924 10.797 3.357 1.00 0.00 O ATOM 1130 CB SER A 71 -1.591 9.828 3.720 1.00 0.00 C ATOM 1131 OG SER A 71 -2.494 9.278 4.665 1.00 0.00 O ATOM 0 H SER A 71 -1.639 12.540 2.331 1.00 0.00 H new ATOM 0 HA SER A 71 -1.616 11.528 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.996 9.711 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.649 9.280 3.751 1.00 0.00 H new ATOM 0 HG SER A 71 -2.131 8.437 5.013 1.00 0.00 H new ATOM 1137 N PRO A 72 0.572 12.845 4.223 1.00 0.00 N ATOM 1138 CA PRO A 72 1.968 13.275 4.114 1.00 0.00 C ATOM 1139 C PRO A 72 2.873 12.555 5.103 1.00 0.00 C ATOM 1140 O PRO A 72 4.090 12.503 4.931 1.00 0.00 O ATOM 1141 CB PRO A 72 1.924 14.780 4.425 1.00 0.00 C ATOM 1142 CG PRO A 72 0.475 15.148 4.439 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.273 13.898 4.799 1.00 0.00 C ATOM 0 HA PRO A 72 2.379 13.050 3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.392 14.995 5.386 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.466 15.352 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.282 15.939 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.160 15.523 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.381 13.786 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.277 13.890 4.375 1.00 0.00 H new ATOM 1151 N ASP A 73 2.262 11.998 6.134 1.00 0.00 N ATOM 1152 CA ASP A 73 2.994 11.270 7.163 1.00 0.00 C ATOM 1153 C ASP A 73 2.751 9.770 7.035 1.00 0.00 C ATOM 1154 O ASP A 73 2.690 9.052 8.032 1.00 0.00 O ATOM 1155 CB ASP A 73 2.579 11.750 8.551 1.00 0.00 C ATOM 1156 CG ASP A 73 3.624 11.443 9.606 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.804 11.790 9.390 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.262 10.858 10.648 1.00 0.00 O ATOM 0 H ASP A 73 1.254 12.035 6.284 1.00 0.00 H new ATOM 0 HA ASP A 73 4.058 11.463 7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.401 12.825 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.637 11.278 8.829 1.00 0.00 H new ATOM 1163 N SER A 74 2.607 9.310 5.797 1.00 0.00 N ATOM 1164 CA SER A 74 2.363 7.899 5.525 1.00 0.00 C ATOM 1165 C SER A 74 3.521 7.292 4.730 1.00 0.00 C ATOM 1166 O SER A 74 4.626 7.834 4.721 1.00 0.00 O ATOM 1167 CB SER A 74 1.046 7.744 4.756 1.00 0.00 C ATOM 1168 OG SER A 74 0.777 6.385 4.461 1.00 0.00 O ATOM 0 H SER A 74 2.655 9.896 4.964 1.00 0.00 H new ATOM 0 HA SER A 74 2.289 7.365 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.228 8.159 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.094 8.316 3.830 1.00 0.00 H new ATOM 0 HG SER A 74 -0.126 6.157 4.765 1.00 0.00 H new ATOM 1174 N VAL A 75 3.258 6.180 4.048 1.00 0.00 N ATOM 1175 CA VAL A 75 4.279 5.528 3.237 1.00 0.00 C ATOM 1176 C VAL A 75 3.666 4.792 2.059 1.00 0.00 C ATOM 1177 O VAL A 75 2.660 4.112 2.198 1.00 0.00 O ATOM 1178 CB VAL A 75 5.123 4.527 4.038 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.242 3.989 3.155 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.676 5.180 5.295 1.00 0.00 C ATOM 0 H VAL A 75 2.350 5.714 4.041 1.00 0.00 H new ATOM 0 HA VAL A 75 4.925 6.332 2.885 1.00 0.00 H new ATOM 0 HB VAL A 75 4.495 3.693 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.843 3.278 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.812 3.490 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.873 4.814 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.272 4.455 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.302 6.029 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.851 5.525 5.919 1.00 0.00 H new ATOM 1190 N VAL A 76 4.274 4.951 0.896 1.00 0.00 N ATOM 1191 CA VAL A 76 3.770 4.312 -0.315 1.00 0.00 C ATOM 1192 C VAL A 76 4.727 3.239 -0.817 1.00 0.00 C ATOM 1193 O VAL A 76 5.788 3.543 -1.362 1.00 0.00 O ATOM 1194 CB VAL A 76 3.526 5.334 -1.447 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.453 4.828 -2.398 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.146 6.694 -0.881 1.00 0.00 C ATOM 0 H VAL A 76 5.114 5.514 0.761 1.00 0.00 H new ATOM 0 HA VAL A 76 2.820 3.852 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 76 4.455 5.451 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.294 5.560 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.772 3.883 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.523 4.678 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.980 7.395 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.234 6.601 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.952 7.062 -0.246 1.00 0.00 H new ATOM 1206 N ILE A 77 4.340 1.980 -0.637 1.00 0.00 N ATOM 1207 CA ILE A 77 5.160 0.861 -1.080 1.00 0.00 C ATOM 1208 C ILE A 77 4.825 0.483 -2.519 1.00 0.00 C ATOM 1209 O ILE A 77 5.715 0.346 -3.356 1.00 0.00 O ATOM 1210 CB ILE A 77 4.975 -0.369 -0.171 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.175 0.022 1.296 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.944 -1.474 -0.564 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.567 0.536 1.601 1.00 0.00 C ATOM 0 H ILE A 77 3.465 1.711 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 77 6.200 1.181 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 77 3.959 -0.744 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.447 0.789 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.970 -0.844 1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.799 -2.335 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.761 -1.768 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.968 -1.112 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.636 0.794 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.299 -0.237 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.768 1.421 0.998 1.00 0.00 H new ATOM 1225 N VAL A 78 3.536 0.322 -2.806 1.00 0.00 N ATOM 1226 CA VAL A 78 3.092 -0.033 -4.150 1.00 0.00 C ATOM 1227 C VAL A 78 3.823 -1.271 -4.661 1.00 0.00 C ATOM 1228 O VAL A 78 4.787 -1.167 -5.419 1.00 0.00 O ATOM 1229 CB VAL A 78 3.311 1.136 -5.134 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.826 0.770 -6.529 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.607 2.388 -4.634 1.00 0.00 C ATOM 0 H VAL A 78 2.782 0.432 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 78 2.026 -0.251 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 78 4.381 1.338 -5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.991 1.610 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.377 -0.099 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.762 0.536 -6.495 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.771 3.203 -5.339 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.538 2.194 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.007 2.665 -3.659 1.00 0.00 H new ATOM 1241 N ILE A 79 3.355 -2.441 -4.242 1.00 0.00 N ATOM 1242 CA ILE A 79 3.960 -3.701 -4.658 1.00 0.00 C ATOM 1243 C ILE A 79 3.084 -4.406 -5.687 1.00 0.00 C ATOM 1244 O ILE A 79 1.874 -4.186 -5.736 1.00 0.00 O ATOM 1245 CB ILE A 79 4.192 -4.648 -3.460 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.502 -3.851 -2.192 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.321 -5.621 -3.765 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.590 -4.706 -0.948 1.00 0.00 C ATOM 0 H ILE A 79 2.558 -2.543 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 79 4.925 -3.458 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 79 3.278 -5.217 -3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.445 -3.322 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.730 -3.095 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.473 -6.282 -2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.063 -6.215 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.238 -5.065 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.812 -4.075 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.640 -5.215 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.382 -5.445 -1.070 1.00 0.00 H new ATOM 1260 N THR A 80 3.697 -5.250 -6.509 1.00 0.00 N ATOM 1261 CA THR A 80 2.961 -5.979 -7.536 1.00 0.00 C ATOM 1262 C THR A 80 3.615 -7.326 -7.825 1.00 0.00 C ATOM 1263 O THR A 80 4.792 -7.393 -8.179 1.00 0.00 O ATOM 1264 CB THR A 80 2.878 -5.151 -8.820 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.110 -5.183 -9.518 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.528 -3.699 -8.571 1.00 0.00 C ATOM 0 H THR A 80 4.698 -5.446 -6.485 1.00 0.00 H new ATOM 0 HA THR A 80 1.953 -6.160 -7.164 1.00 0.00 H new ATOM 0 HB THR A 80 2.081 -5.606 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.699 -5.852 -9.111 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.485 -3.167 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.558 -3.638 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.288 -3.245 -7.935 1.00 0.00 H new ATOM 1274 N GLY A 81 2.844 -8.397 -7.669 1.00 0.00 N ATOM 1275 CA GLY A 81 3.364 -9.729 -7.916 1.00 0.00 C ATOM 1276 C GLY A 81 3.139 -10.187 -9.344 1.00 0.00 C ATOM 1277 O GLY A 81 2.072 -10.707 -9.675 1.00 0.00 O ATOM 0 H GLY A 81 1.868 -8.366 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.432 -9.745 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.888 -10.433 -7.233 1.00 0.00 H new ATOM 1281 N HIS A 82 4.143 -9.993 -10.192 1.00 0.00 N ATOM 1282 CA HIS A 82 4.050 -10.389 -11.592 1.00 0.00 C ATOM 1283 C HIS A 82 5.425 -10.384 -12.253 1.00 0.00 C ATOM 1284 O HIS A 82 5.774 -11.305 -12.990 1.00 0.00 O ATOM 1285 CB HIS A 82 3.103 -9.455 -12.347 1.00 0.00 C ATOM 1286 CG HIS A 82 2.586 -10.035 -13.627 1.00 0.00 C ATOM 1287 ND1 HIS A 82 1.524 -10.913 -13.681 1.00 0.00 N ATOM 1288 CD2 HIS A 82 2.991 -9.859 -14.908 1.00 0.00 C ATOM 1289 CE1 HIS A 82 1.299 -11.253 -14.938 1.00 0.00 C ATOM 1290 NE2 HIS A 82 2.175 -10.626 -15.701 1.00 0.00 N ATOM 0 H HIS A 82 5.031 -9.563 -9.934 1.00 0.00 H new ATOM 0 HA HIS A 82 3.654 -11.404 -11.630 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.259 -9.208 -11.703 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.623 -8.522 -12.564 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.804 -9.232 -15.242 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.530 -11.928 -15.282 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.236 -10.700 -16.717 1.00 0.00 H new ATOM 1299 N GLY A 83 6.200 -9.339 -11.984 1.00 0.00 N ATOM 1300 CA GLY A 83 7.528 -9.232 -12.560 1.00 0.00 C ATOM 1301 C GLY A 83 7.733 -7.931 -13.309 1.00 0.00 C ATOM 1302 O GLY A 83 8.093 -7.934 -14.487 1.00 0.00 O ATOM 0 H GLY A 83 5.932 -8.564 -11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.272 -9.312 -11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.694 -10.068 -13.239 1.00 0.00 H new ATOM 1306 N SER A 84 7.501 -6.814 -12.627 1.00 0.00 N ATOM 1307 CA SER A 84 7.661 -5.499 -13.235 1.00 0.00 C ATOM 1308 C SER A 84 8.484 -4.580 -12.337 1.00 0.00 C ATOM 1309 O SER A 84 8.152 -4.378 -11.169 1.00 0.00 O ATOM 1310 CB SER A 84 6.294 -4.871 -13.512 1.00 0.00 C ATOM 1311 OG SER A 84 5.446 -4.973 -12.380 1.00 0.00 O ATOM 0 H SER A 84 7.201 -6.794 -11.652 1.00 0.00 H new ATOM 0 HA SER A 84 8.192 -5.626 -14.178 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.420 -3.823 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 84 5.829 -5.366 -14.364 1.00 0.00 H new ATOM 0 HG SER A 84 5.982 -4.907 -11.562 1.00 0.00 H new ATOM 1317 N VAL A 85 9.558 -4.028 -12.889 1.00 0.00 N ATOM 1318 CA VAL A 85 10.428 -3.131 -12.139 1.00 0.00 C ATOM 1319 C VAL A 85 10.305 -1.696 -12.640 1.00 0.00 C ATOM 1320 O VAL A 85 10.474 -0.745 -11.875 1.00 0.00 O ATOM 1321 CB VAL A 85 11.901 -3.570 -12.232 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.766 -2.747 -11.289 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.036 -5.055 -11.932 1.00 0.00 C ATOM 0 H VAL A 85 9.847 -4.186 -13.854 1.00 0.00 H new ATOM 0 HA VAL A 85 10.107 -3.178 -11.098 1.00 0.00 H new ATOM 0 HB VAL A 85 12.248 -3.396 -13.250 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.803 -3.072 -11.369 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.695 -1.693 -11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.421 -2.885 -10.264 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.084 -5.347 -12.003 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.670 -5.258 -10.925 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.451 -5.626 -12.653 1.00 0.00 H new ATOM 1333 N ASP A 86 10.012 -1.547 -13.928 1.00 0.00 N ATOM 1334 CA ASP A 86 9.868 -0.226 -14.529 1.00 0.00 C ATOM 1335 C ASP A 86 8.755 0.565 -13.850 1.00 0.00 C ATOM 1336 O ASP A 86 8.783 1.796 -13.831 1.00 0.00 O ATOM 1337 CB ASP A 86 9.584 -0.351 -16.028 1.00 0.00 C ATOM 1338 CG ASP A 86 10.563 -1.273 -16.727 1.00 0.00 C ATOM 1339 OD1 ASP A 86 11.779 -0.991 -16.683 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.114 -2.277 -17.319 1.00 0.00 O ATOM 0 H ASP A 86 9.870 -2.323 -14.574 1.00 0.00 H new ATOM 0 HA ASP A 86 10.806 0.312 -14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.570 -0.725 -16.173 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.628 0.637 -16.487 1.00 0.00 H new ATOM 1345 N THR A 87 7.784 -0.142 -13.279 1.00 0.00 N ATOM 1346 CA THR A 87 6.681 0.513 -12.588 1.00 0.00 C ATOM 1347 C THR A 87 7.156 1.029 -11.236 1.00 0.00 C ATOM 1348 O THR A 87 6.707 2.073 -10.762 1.00 0.00 O ATOM 1349 CB THR A 87 5.496 -0.448 -12.419 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.285 0.273 -12.284 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.614 -1.367 -11.217 1.00 0.00 C ATOM 0 H THR A 87 7.739 -1.161 -13.281 1.00 0.00 H new ATOM 0 HA THR A 87 6.341 1.357 -13.188 1.00 0.00 H new ATOM 0 HB THR A 87 5.502 -1.062 -13.320 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.540 -0.355 -12.179 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.739 -2.015 -11.167 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.512 -1.977 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.676 -0.770 -10.307 1.00 0.00 H new ATOM 1359 N ALA A 88 8.086 0.296 -10.634 1.00 0.00 N ATOM 1360 CA ALA A 88 8.649 0.680 -9.350 1.00 0.00 C ATOM 1361 C ALA A 88 9.315 2.042 -9.461 1.00 0.00 C ATOM 1362 O ALA A 88 8.941 2.992 -8.773 1.00 0.00 O ATOM 1363 CB ALA A 88 9.656 -0.361 -8.886 1.00 0.00 C ATOM 0 H ALA A 88 8.465 -0.570 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 88 7.845 0.739 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.071 -0.062 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.160 -1.326 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.460 -0.441 -9.618 1.00 0.00 H new ATOM 1369 N VAL A 89 10.298 2.125 -10.347 1.00 0.00 N ATOM 1370 CA VAL A 89 11.021 3.366 -10.578 1.00 0.00 C ATOM 1371 C VAL A 89 10.072 4.479 -11.020 1.00 0.00 C ATOM 1372 O VAL A 89 10.387 5.661 -10.897 1.00 0.00 O ATOM 1373 CB VAL A 89 12.119 3.176 -11.645 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.053 2.043 -11.249 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.507 2.912 -13.015 1.00 0.00 C ATOM 0 H VAL A 89 10.614 1.342 -10.920 1.00 0.00 H new ATOM 0 HA VAL A 89 11.487 3.650 -9.635 1.00 0.00 H new ATOM 0 HB VAL A 89 12.698 4.098 -11.706 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.822 1.922 -12.012 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.523 2.276 -10.294 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.484 1.118 -11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.302 2.782 -13.750 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.899 2.008 -12.974 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.882 3.757 -13.303 1.00 0.00 H new ATOM 1385 N LYS A 90 8.912 4.087 -11.542 1.00 0.00 N ATOM 1386 CA LYS A 90 7.918 5.043 -12.012 1.00 0.00 C ATOM 1387 C LYS A 90 7.039 5.550 -10.867 1.00 0.00 C ATOM 1388 O LYS A 90 6.260 6.485 -11.044 1.00 0.00 O ATOM 1389 CB LYS A 90 7.048 4.391 -13.088 1.00 0.00 C ATOM 1390 CG LYS A 90 5.940 5.285 -13.615 1.00 0.00 C ATOM 1391 CD LYS A 90 5.135 4.585 -14.698 1.00 0.00 C ATOM 1392 CE LYS A 90 4.463 3.328 -14.165 1.00 0.00 C ATOM 1393 NZ LYS A 90 3.134 3.096 -14.797 1.00 0.00 N ATOM 0 H LYS A 90 8.639 3.110 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 90 8.444 5.900 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.684 4.089 -13.920 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.604 3.483 -12.680 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.280 5.572 -12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.370 6.204 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.379 5.266 -15.089 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.790 4.325 -15.529 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.107 2.467 -14.348 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.341 3.412 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.383 3.261 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.011 3.749 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.079 2.116 -15.139 1.00 0.00 H new ATOM 1407 N ALA A 91 7.158 4.928 -9.696 1.00 0.00 N ATOM 1408 CA ALA A 91 6.358 5.326 -8.542 1.00 0.00 C ATOM 1409 C ALA A 91 7.229 5.809 -7.385 1.00 0.00 C ATOM 1410 O ALA A 91 6.833 6.700 -6.633 1.00 0.00 O ATOM 1411 CB ALA A 91 5.480 4.169 -8.090 1.00 0.00 C ATOM 0 H ALA A 91 7.796 4.152 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 91 5.728 6.160 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.887 4.477 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.815 3.878 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.108 3.322 -7.814 1.00 0.00 H new ATOM 1417 N ILE A 92 8.409 5.216 -7.235 1.00 0.00 N ATOM 1418 CA ILE A 92 9.316 5.593 -6.156 1.00 0.00 C ATOM 1419 C ILE A 92 9.960 6.951 -6.418 1.00 0.00 C ATOM 1420 O ILE A 92 10.136 7.750 -5.499 1.00 0.00 O ATOM 1421 CB ILE A 92 10.411 4.528 -5.931 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.465 4.583 -7.040 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.789 3.142 -5.858 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.573 3.565 -6.870 1.00 0.00 C ATOM 0 H ILE A 92 8.759 4.476 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 92 8.713 5.662 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 92 10.906 4.742 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.978 4.421 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.901 5.582 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.571 2.400 -5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.080 3.104 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.269 2.927 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.284 3.661 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.085 3.739 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.148 2.561 -6.873 1.00 0.00 H new ATOM 1436 N LYS A 93 10.301 7.210 -7.675 1.00 0.00 N ATOM 1437 CA LYS A 93 10.916 8.479 -8.047 1.00 0.00 C ATOM 1438 C LYS A 93 9.993 9.645 -7.704 1.00 0.00 C ATOM 1439 O LYS A 93 10.448 10.769 -7.492 1.00 0.00 O ATOM 1440 CB LYS A 93 11.253 8.494 -9.540 1.00 0.00 C ATOM 1441 CG LYS A 93 12.746 8.460 -9.827 1.00 0.00 C ATOM 1442 CD LYS A 93 13.063 7.600 -11.040 1.00 0.00 C ATOM 1443 CE LYS A 93 14.438 7.920 -11.609 1.00 0.00 C ATOM 1444 NZ LYS A 93 14.366 8.347 -13.033 1.00 0.00 N ATOM 0 H LYS A 93 10.163 6.562 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 93 11.840 8.589 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.780 7.637 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.825 9.389 -9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.108 9.474 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.276 8.072 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.020 6.547 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.305 7.758 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.901 8.709 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.078 7.042 -11.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.323 8.555 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.948 7.584 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.776 9.200 -13.110 1.00 0.00 H new ATOM 1458 N LYS A 94 8.693 9.367 -7.649 1.00 0.00 N ATOM 1459 CA LYS A 94 7.705 10.389 -7.329 1.00 0.00 C ATOM 1460 C LYS A 94 7.666 10.654 -5.828 1.00 0.00 C ATOM 1461 O LYS A 94 7.868 11.784 -5.384 1.00 0.00 O ATOM 1462 CB LYS A 94 6.322 9.961 -7.819 1.00 0.00 C ATOM 1463 CG LYS A 94 6.241 9.776 -9.325 1.00 0.00 C ATOM 1464 CD LYS A 94 5.758 11.041 -10.016 1.00 0.00 C ATOM 1465 CE LYS A 94 6.835 12.114 -10.030 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.830 12.889 -11.302 1.00 0.00 N ATOM 0 H LYS A 94 8.301 8.441 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 94 7.993 11.310 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.046 9.026 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.590 10.708 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.222 9.500 -9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.565 8.953 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.462 10.808 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.872 11.420 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.682 12.793 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.812 11.650 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.579 13.610 -11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.001 12.246 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.907 13.353 -11.422 1.00 0.00 H new ATOM 1480 N GLY A 95 7.407 9.607 -5.050 1.00 0.00 N ATOM 1481 CA GLY A 95 7.350 9.759 -3.608 1.00 0.00 C ATOM 1482 C GLY A 95 6.975 8.477 -2.886 1.00 0.00 C ATOM 1483 O GLY A 95 6.320 8.518 -1.846 1.00 0.00 O ATOM 0 H GLY A 95 7.236 8.661 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.320 10.102 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.625 10.534 -3.359 1.00 0.00 H new ATOM 1487 N ALA A 96 7.396 7.337 -3.426 1.00 0.00 N ATOM 1488 CA ALA A 96 7.098 6.051 -2.806 1.00 0.00 C ATOM 1489 C ALA A 96 8.194 5.660 -1.821 1.00 0.00 C ATOM 1490 O ALA A 96 9.002 6.497 -1.416 1.00 0.00 O ATOM 1491 CB ALA A 96 6.915 4.970 -3.863 1.00 0.00 C ATOM 0 H ALA A 96 7.941 7.278 -4.286 1.00 0.00 H new ATOM 0 HA ALA A 96 6.163 6.149 -2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.694 4.020 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 96 6.090 5.241 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.830 4.874 -4.448 1.00 0.00 H new ATOM 1497 N TYR A 97 8.217 4.389 -1.434 1.00 0.00 N ATOM 1498 CA TYR A 97 9.216 3.901 -0.492 1.00 0.00 C ATOM 1499 C TYR A 97 10.238 3.004 -1.185 1.00 0.00 C ATOM 1500 O TYR A 97 10.867 2.158 -0.553 1.00 0.00 O ATOM 1501 CB TYR A 97 8.533 3.152 0.652 1.00 0.00 C ATOM 1502 CG TYR A 97 9.427 2.920 1.847 1.00 0.00 C ATOM 1503 CD1 TYR A 97 9.576 3.896 2.823 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.119 1.726 2.000 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.392 3.688 3.919 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.936 1.511 3.093 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.069 2.495 4.048 1.00 0.00 C ATOM 1508 OH TYR A 97 11.883 2.284 5.138 1.00 0.00 O ATOM 0 H TYR A 97 7.558 3.681 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 97 9.751 4.759 -0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.656 3.715 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.178 2.190 0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.046 4.832 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 97 10.017 0.953 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.498 4.457 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.467 0.577 3.198 1.00 0.00 H new ATOM 0 HH TYR A 97 12.286 1.393 5.078 1.00 0.00 H new ATOM 1518 N GLU A 98 10.403 3.215 -2.488 1.00 0.00 N ATOM 1519 CA GLU A 98 11.356 2.454 -3.303 1.00 0.00 C ATOM 1520 C GLU A 98 10.781 1.110 -3.752 1.00 0.00 C ATOM 1521 O GLU A 98 11.522 0.216 -4.160 1.00 0.00 O ATOM 1522 CB GLU A 98 12.689 2.256 -2.557 1.00 0.00 C ATOM 1523 CG GLU A 98 12.840 0.906 -1.864 1.00 0.00 C ATOM 1524 CD GLU A 98 13.644 0.996 -0.582 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.701 2.096 0.008 1.00 0.00 O ATOM 1526 OE2 GLU A 98 14.216 -0.034 -0.168 1.00 0.00 O ATOM 0 H GLU A 98 9.882 3.918 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 98 11.549 3.042 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.508 2.378 -3.266 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.793 3.045 -1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.852 0.503 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.324 0.205 -2.544 1.00 0.00 H new ATOM 1533 N PHE A 99 9.460 0.972 -3.688 1.00 0.00 N ATOM 1534 CA PHE A 99 8.803 -0.263 -4.104 1.00 0.00 C ATOM 1535 C PHE A 99 9.331 -1.461 -3.321 1.00 0.00 C ATOM 1536 O PHE A 99 10.366 -1.379 -2.659 1.00 0.00 O ATOM 1537 CB PHE A 99 9.020 -0.491 -5.601 1.00 0.00 C ATOM 1538 CG PHE A 99 7.759 -0.438 -6.417 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.935 0.675 -6.373 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.404 -1.499 -7.233 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.778 0.726 -7.130 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.249 -1.454 -7.991 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.436 -0.338 -7.939 1.00 0.00 C ATOM 0 H PHE A 99 8.825 1.697 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 99 7.737 -0.163 -3.899 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.715 0.261 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.493 -1.462 -5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.198 1.511 -5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.037 -2.373 -7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.143 1.598 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.983 -2.289 -8.622 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.534 -0.299 -8.531 1.00 0.00 H new ATOM 1553 N LEU A 100 8.613 -2.576 -3.407 1.00 0.00 N ATOM 1554 CA LEU A 100 9.000 -3.795 -2.720 1.00 0.00 C ATOM 1555 C LEU A 100 9.239 -4.925 -3.717 1.00 0.00 C ATOM 1556 O LEU A 100 8.349 -5.283 -4.488 1.00 0.00 O ATOM 1557 CB LEU A 100 7.915 -4.203 -1.723 1.00 0.00 C ATOM 1558 CG LEU A 100 8.423 -4.907 -0.467 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.580 -5.833 -0.807 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.839 -3.886 0.579 1.00 0.00 C ATOM 0 H LEU A 100 7.754 -2.657 -3.951 1.00 0.00 H new ATOM 0 HA LEU A 100 9.929 -3.605 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.364 -3.311 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.207 -4.860 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 100 7.614 -5.510 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.930 -6.326 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.247 -6.584 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.394 -5.253 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.199 -4.403 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.634 -3.257 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.983 -3.265 0.842 1.00 0.00 H new ATOM 1572 N GLU A 101 10.444 -5.486 -3.696 1.00 0.00 N ATOM 1573 CA GLU A 101 10.792 -6.577 -4.600 1.00 0.00 C ATOM 1574 C GLU A 101 10.058 -7.858 -4.211 1.00 0.00 C ATOM 1575 O GLU A 101 9.168 -7.840 -3.361 1.00 0.00 O ATOM 1576 CB GLU A 101 12.306 -6.814 -4.591 1.00 0.00 C ATOM 1577 CG GLU A 101 13.003 -6.338 -5.856 1.00 0.00 C ATOM 1578 CD GLU A 101 13.154 -4.831 -5.905 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.096 -4.307 -5.273 1.00 0.00 O ATOM 1580 OE2 GLU A 101 12.331 -4.173 -6.575 1.00 0.00 O ATOM 0 H GLU A 101 11.194 -5.204 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 101 10.485 -6.296 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.741 -6.303 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.498 -7.879 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.988 -6.801 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.437 -6.671 -6.726 1.00 0.00 H new ATOM 1587 N LYS A 102 10.435 -8.968 -4.838 1.00 0.00 N ATOM 1588 CA LYS A 102 9.809 -10.255 -4.556 1.00 0.00 C ATOM 1589 C LYS A 102 8.327 -10.229 -4.924 1.00 0.00 C ATOM 1590 O LYS A 102 7.466 -10.059 -4.062 1.00 0.00 O ATOM 1591 CB LYS A 102 9.979 -10.615 -3.076 1.00 0.00 C ATOM 1592 CG LYS A 102 10.889 -11.810 -2.844 1.00 0.00 C ATOM 1593 CD LYS A 102 10.223 -13.112 -3.266 1.00 0.00 C ATOM 1594 CE LYS A 102 10.832 -13.661 -4.545 1.00 0.00 C ATOM 1595 NZ LYS A 102 12.007 -14.533 -4.270 1.00 0.00 N ATOM 0 H LYS A 102 11.170 -9.002 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 102 10.301 -11.015 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.382 -9.753 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.000 -10.825 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.815 -11.677 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.158 -11.864 -1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.324 -13.848 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.156 -12.945 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.079 -14.228 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.136 -12.834 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.394 -14.888 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.737 -13.985 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.712 -15.336 -3.679 1.00 0.00 H new ATOM 1609 N PRO A 103 8.011 -10.396 -6.220 1.00 0.00 N ATOM 1610 CA PRO A 103 6.627 -10.389 -6.706 1.00 0.00 C ATOM 1611 C PRO A 103 5.852 -11.646 -6.318 1.00 0.00 C ATOM 1612 O PRO A 103 4.662 -11.764 -6.607 1.00 0.00 O ATOM 1613 CB PRO A 103 6.788 -10.312 -8.224 1.00 0.00 C ATOM 1614 CG PRO A 103 8.110 -10.942 -8.494 1.00 0.00 C ATOM 1615 CD PRO A 103 8.980 -10.598 -7.316 1.00 0.00 C ATOM 0 HA PRO A 103 6.055 -9.567 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.984 -10.842 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.762 -9.280 -8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.012 -12.022 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.541 -10.564 -9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.683 -11.400 -7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.570 -9.700 -7.501 1.00 0.00 H new ATOM 1623 N PHE A 104 6.530 -12.582 -5.664 1.00 0.00 N ATOM 1624 CA PHE A 104 5.898 -13.826 -5.242 1.00 0.00 C ATOM 1625 C PHE A 104 4.988 -13.599 -4.039 1.00 0.00 C ATOM 1626 O PHE A 104 3.796 -13.903 -4.087 1.00 0.00 O ATOM 1627 CB PHE A 104 6.961 -14.873 -4.902 1.00 0.00 C ATOM 1628 CG PHE A 104 6.469 -16.288 -5.019 1.00 0.00 C ATOM 1629 CD1 PHE A 104 5.450 -16.750 -4.203 1.00 0.00 C ATOM 1630 CD2 PHE A 104 7.025 -17.155 -5.947 1.00 0.00 C ATOM 1631 CE1 PHE A 104 4.994 -18.050 -4.307 1.00 0.00 C ATOM 1632 CE2 PHE A 104 6.574 -18.456 -6.057 1.00 0.00 C ATOM 1633 CZ PHE A 104 5.557 -18.905 -5.235 1.00 0.00 C ATOM 0 H PHE A 104 7.516 -12.503 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 104 5.289 -14.191 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.817 -14.739 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.315 -14.703 -3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.006 -16.086 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.820 -16.809 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.199 -18.397 -3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.015 -19.122 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.203 -19.922 -5.318 1.00 0.00 H new ATOM 1643 N SER A 105 5.555 -13.064 -2.963 1.00 0.00 N ATOM 1644 CA SER A 105 4.789 -12.799 -1.750 1.00 0.00 C ATOM 1645 C SER A 105 5.256 -11.511 -1.077 1.00 0.00 C ATOM 1646 O SER A 105 6.296 -10.957 -1.430 1.00 0.00 O ATOM 1647 CB SER A 105 4.917 -13.971 -0.775 1.00 0.00 C ATOM 1648 OG SER A 105 4.729 -15.209 -1.438 1.00 0.00 O ATOM 0 H SER A 105 6.540 -12.806 -2.906 1.00 0.00 H new ATOM 0 HA SER A 105 3.743 -12.680 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.901 -13.952 -0.306 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.181 -13.867 0.023 1.00 0.00 H new ATOM 0 HG SER A 105 4.817 -15.942 -0.793 1.00 0.00 H new ATOM 1654 N VAL A 106 4.478 -11.043 -0.106 1.00 0.00 N ATOM 1655 CA VAL A 106 4.809 -9.821 0.618 1.00 0.00 C ATOM 1656 C VAL A 106 5.641 -10.116 1.869 1.00 0.00 C ATOM 1657 O VAL A 106 5.948 -9.212 2.644 1.00 0.00 O ATOM 1658 CB VAL A 106 3.537 -9.047 1.019 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.750 -8.638 -0.218 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.674 -9.873 1.959 1.00 0.00 C ATOM 0 H VAL A 106 3.614 -11.492 0.198 1.00 0.00 H new ATOM 0 HA VAL A 106 5.401 -9.205 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 106 3.839 -8.143 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.856 -8.093 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.369 -7.999 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.461 -9.528 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.783 -9.306 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.380 -10.798 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.240 -10.108 2.860 1.00 0.00 H new ATOM 1670 N GLU A 107 5.998 -11.386 2.072 1.00 0.00 N ATOM 1671 CA GLU A 107 6.790 -11.784 3.234 1.00 0.00 C ATOM 1672 C GLU A 107 7.904 -10.776 3.516 1.00 0.00 C ATOM 1673 O GLU A 107 8.119 -10.378 4.660 1.00 0.00 O ATOM 1674 CB GLU A 107 7.386 -13.171 3.017 1.00 0.00 C ATOM 1675 CG GLU A 107 7.851 -13.833 4.301 1.00 0.00 C ATOM 1676 CD GLU A 107 9.013 -14.784 4.082 1.00 0.00 C ATOM 1677 OE1 GLU A 107 9.175 -15.271 2.943 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.761 -15.039 5.048 1.00 0.00 O ATOM 0 H GLU A 107 5.751 -12.154 1.447 1.00 0.00 H new ATOM 0 HA GLU A 107 6.127 -11.810 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.642 -13.807 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.229 -13.093 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.146 -13.064 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.019 -14.379 4.746 1.00 0.00 H new ATOM 1685 N ARG A 108 8.598 -10.354 2.461 1.00 0.00 N ATOM 1686 CA ARG A 108 9.673 -9.377 2.598 1.00 0.00 C ATOM 1687 C ARG A 108 9.090 -8.013 2.949 1.00 0.00 C ATOM 1688 O ARG A 108 9.668 -7.255 3.728 1.00 0.00 O ATOM 1689 CB ARG A 108 10.484 -9.286 1.304 1.00 0.00 C ATOM 1690 CG ARG A 108 11.869 -8.687 1.496 1.00 0.00 C ATOM 1691 CD ARG A 108 12.959 -9.622 0.996 1.00 0.00 C ATOM 1692 NE ARG A 108 13.147 -10.768 1.882 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.836 -10.721 3.021 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.398 -9.586 3.418 1.00 0.00 N ATOM 1695 NH2 ARG A 108 13.962 -11.811 3.764 1.00 0.00 N ATOM 0 H ARG A 108 8.435 -10.673 1.506 1.00 0.00 H new ATOM 0 HA ARG A 108 10.338 -9.699 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.585 -10.284 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.933 -8.684 0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.932 -7.737 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.030 -8.472 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.704 -9.975 -0.003 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.896 -9.073 0.910 1.00 0.00 H new ATOM 0 HE ARG A 108 12.726 -11.657 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.303 -8.744 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.924 -9.556 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.531 -12.686 3.464 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.490 -11.775 4.636 1.00 0.00 H new ATOM 1709 N PHE A 109 7.926 -7.725 2.377 1.00 0.00 N ATOM 1710 CA PHE A 109 7.225 -6.469 2.627 1.00 0.00 C ATOM 1711 C PHE A 109 6.981 -6.286 4.127 1.00 0.00 C ATOM 1712 O PHE A 109 6.819 -5.164 4.609 1.00 0.00 O ATOM 1713 CB PHE A 109 5.897 -6.462 1.850 1.00 0.00 C ATOM 1714 CG PHE A 109 4.793 -5.668 2.496 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.693 -4.302 2.290 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.852 -6.291 3.304 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.679 -3.572 2.877 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.836 -5.564 3.894 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.749 -4.203 3.680 1.00 0.00 C ATOM 0 H PHE A 109 7.444 -8.350 1.731 1.00 0.00 H new ATOM 0 HA PHE A 109 7.839 -5.636 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.078 -6.062 0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.560 -7.491 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.417 -3.802 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.915 -7.356 3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.613 -2.507 2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.111 -6.060 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.955 -3.633 4.140 1.00 0.00 H new ATOM 1729 N LEU A 110 6.957 -7.400 4.854 1.00 0.00 N ATOM 1730 CA LEU A 110 6.735 -7.379 6.295 1.00 0.00 C ATOM 1731 C LEU A 110 7.836 -6.616 7.023 1.00 0.00 C ATOM 1732 O LEU A 110 7.563 -5.758 7.861 1.00 0.00 O ATOM 1733 CB LEU A 110 6.665 -8.803 6.830 1.00 0.00 C ATOM 1734 CG LEU A 110 5.613 -9.034 7.912 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.415 -10.520 8.146 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.014 -8.334 9.203 1.00 0.00 C ATOM 0 H LEU A 110 7.090 -8.333 4.465 1.00 0.00 H new ATOM 0 HA LEU A 110 5.790 -6.867 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.464 -9.478 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.642 -9.073 7.231 1.00 0.00 H new ATOM 0 HG LEU A 110 4.667 -8.610 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.662 -10.669 8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.084 -10.993 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.357 -10.967 8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.253 -8.509 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.970 -8.728 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.107 -7.263 9.023 1.00 0.00 H new ATOM 1748 N LEU A 111 9.082 -6.947 6.703 1.00 0.00 N ATOM 1749 CA LEU A 111 10.232 -6.305 7.333 1.00 0.00 C ATOM 1750 C LEU A 111 10.195 -4.793 7.143 1.00 0.00 C ATOM 1751 O LEU A 111 10.205 -4.036 8.113 1.00 0.00 O ATOM 1752 CB LEU A 111 11.532 -6.870 6.760 1.00 0.00 C ATOM 1753 CG LEU A 111 11.729 -8.375 6.960 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.195 -9.147 5.764 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.198 -8.695 7.189 1.00 0.00 C ATOM 0 H LEU A 111 9.323 -7.656 6.011 1.00 0.00 H new ATOM 0 HA LEU A 111 10.188 -6.515 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.565 -6.654 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.371 -6.345 7.217 1.00 0.00 H new ATOM 0 HG LEU A 111 11.169 -8.680 7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.344 -10.215 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.131 -8.943 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.727 -8.838 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.319 -9.769 7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.779 -8.374 6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.550 -8.171 8.078 1.00 0.00 H new ATOM 1767 N THR A 112 10.158 -4.360 5.889 1.00 0.00 N ATOM 1768 CA THR A 112 10.127 -2.936 5.568 1.00 0.00 C ATOM 1769 C THR A 112 8.974 -2.232 6.280 1.00 0.00 C ATOM 1770 O THR A 112 9.140 -1.134 6.811 1.00 0.00 O ATOM 1771 CB THR A 112 10.002 -2.742 4.056 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.108 -3.317 3.383 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.919 -1.288 3.642 1.00 0.00 C ATOM 0 H THR A 112 10.149 -4.975 5.075 1.00 0.00 H new ATOM 0 HA THR A 112 11.061 -2.492 5.914 1.00 0.00 H new ATOM 0 HB THR A 112 9.070 -3.235 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.008 -3.184 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.832 -1.223 2.557 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.046 -0.827 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.819 -0.766 3.966 1.00 0.00 H new ATOM 1781 N ILE A 113 7.805 -2.866 6.271 1.00 0.00 N ATOM 1782 CA ILE A 113 6.610 -2.305 6.901 1.00 0.00 C ATOM 1783 C ILE A 113 6.922 -1.665 8.251 1.00 0.00 C ATOM 1784 O ILE A 113 6.598 -0.500 8.479 1.00 0.00 O ATOM 1785 CB ILE A 113 5.514 -3.382 7.075 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.619 -3.426 5.838 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.679 -3.123 8.325 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.863 -2.138 5.593 1.00 0.00 C ATOM 0 H ILE A 113 7.658 -3.775 5.832 1.00 0.00 H new ATOM 0 HA ILE A 113 6.241 -1.526 6.233 1.00 0.00 H new ATOM 0 HB ILE A 113 6.004 -4.348 7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.231 -3.650 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.905 -4.242 5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.917 -3.897 8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.324 -3.139 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.198 -2.148 8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.248 -2.241 4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.224 -1.922 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.571 -1.321 5.454 1.00 0.00 H new ATOM 1800 N LYS A 114 7.552 -2.424 9.143 1.00 0.00 N ATOM 1801 CA LYS A 114 7.899 -1.908 10.459 1.00 0.00 C ATOM 1802 C LYS A 114 8.592 -0.565 10.312 1.00 0.00 C ATOM 1803 O LYS A 114 8.096 0.463 10.773 1.00 0.00 O ATOM 1804 CB LYS A 114 8.803 -2.891 11.198 1.00 0.00 C ATOM 1805 CG LYS A 114 8.774 -2.728 12.710 1.00 0.00 C ATOM 1806 CD LYS A 114 9.760 -1.667 13.177 1.00 0.00 C ATOM 1807 CE LYS A 114 9.047 -0.479 13.804 1.00 0.00 C ATOM 1808 NZ LYS A 114 8.631 -0.756 15.207 1.00 0.00 N ATOM 0 H LYS A 114 7.830 -3.391 8.978 1.00 0.00 H new ATOM 0 HA LYS A 114 6.986 -1.780 11.041 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.503 -3.908 10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.827 -2.764 10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.768 -2.456 13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.011 -3.680 13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.449 -2.103 13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.359 -1.328 12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.705 0.390 13.786 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.169 -0.227 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.149 0.079 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.983 -1.569 15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 9.470 -0.971 15.782 1.00 0.00 H new ATOM 1822 N HIS A 115 9.741 -0.588 9.655 1.00 0.00 N ATOM 1823 CA HIS A 115 10.516 0.623 9.427 1.00 0.00 C ATOM 1824 C HIS A 115 9.679 1.685 8.716 1.00 0.00 C ATOM 1825 O HIS A 115 9.952 2.877 8.834 1.00 0.00 O ATOM 1826 CB HIS A 115 11.764 0.309 8.608 1.00 0.00 C ATOM 1827 CG HIS A 115 12.962 -0.018 9.445 1.00 0.00 C ATOM 1828 ND1 HIS A 115 14.257 0.154 9.004 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.058 -0.506 10.704 1.00 0.00 C ATOM 1830 CE1 HIS A 115 15.097 -0.215 9.954 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.395 -0.619 10.996 1.00 0.00 N ATOM 0 H HIS A 115 10.159 -1.434 9.269 1.00 0.00 H new ATOM 0 HA HIS A 115 10.817 1.016 10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.553 -0.531 7.946 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.997 1.164 7.973 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.236 -0.759 11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 115 16.175 -0.190 9.889 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.783 -0.960 11.876 1.00 0.00 H new ATOM 1840 N ALA A 116 8.657 1.250 7.982 1.00 0.00 N ATOM 1841 CA ALA A 116 7.790 2.178 7.265 1.00 0.00 C ATOM 1842 C ALA A 116 6.968 3.022 8.236 1.00 0.00 C ATOM 1843 O ALA A 116 6.731 4.206 7.999 1.00 0.00 O ATOM 1844 CB ALA A 116 6.872 1.417 6.319 1.00 0.00 C ATOM 0 H ALA A 116 8.411 0.267 7.869 1.00 0.00 H new ATOM 0 HA ALA A 116 8.420 2.850 6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.230 2.121 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.472 0.861 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.256 0.723 6.890 1.00 0.00 H new ATOM 1850 N PHE A 117 6.531 2.399 9.325 1.00 0.00 N ATOM 1851 CA PHE A 117 5.727 3.078 10.334 1.00 0.00 C ATOM 1852 C PHE A 117 6.571 4.006 11.208 1.00 0.00 C ATOM 1853 O PHE A 117 6.033 4.876 11.893 1.00 0.00 O ATOM 1854 CB PHE A 117 5.021 2.045 11.211 1.00 0.00 C ATOM 1855 CG PHE A 117 3.735 1.540 10.625 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.735 0.538 9.668 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.526 2.074 11.031 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.549 0.079 9.129 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.337 1.620 10.496 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.348 0.622 9.544 1.00 0.00 C ATOM 0 H PHE A 117 6.722 1.419 9.532 1.00 0.00 H new ATOM 0 HA PHE A 117 4.991 3.691 9.814 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.691 1.202 11.376 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.818 2.487 12.187 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.672 0.112 9.340 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.512 2.856 11.776 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.560 -0.703 8.384 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.400 2.046 10.822 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.419 0.265 9.124 1.00 0.00 H new ATOM 1870 N GLU A 118 7.887 3.813 11.197 1.00 0.00 N ATOM 1871 CA GLU A 118 8.781 4.636 12.010 1.00 0.00 C ATOM 1872 C GLU A 118 9.624 5.574 11.150 1.00 0.00 C ATOM 1873 O GLU A 118 10.035 6.642 11.604 1.00 0.00 O ATOM 1874 CB GLU A 118 9.691 3.745 12.854 1.00 0.00 C ATOM 1875 CG GLU A 118 8.941 2.894 13.864 1.00 0.00 C ATOM 1876 CD GLU A 118 9.786 2.540 15.072 1.00 0.00 C ATOM 1877 OE1 GLU A 118 10.872 1.952 14.886 1.00 0.00 O ATOM 1878 OE2 GLU A 118 9.362 2.852 16.205 1.00 0.00 O ATOM 0 H GLU A 118 8.357 3.100 10.639 1.00 0.00 H new ATOM 0 HA GLU A 118 8.162 5.250 12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.261 3.092 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.411 4.371 13.382 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.050 3.428 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.603 1.977 13.381 1.00 0.00 H new ATOM 1885 N GLU A 119 9.885 5.172 9.911 1.00 0.00 N ATOM 1886 CA GLU A 119 10.687 5.983 9.000 1.00 0.00 C ATOM 1887 C GLU A 119 9.894 7.169 8.452 1.00 0.00 C ATOM 1888 O GLU A 119 10.441 8.007 7.736 1.00 0.00 O ATOM 1889 CB GLU A 119 11.208 5.127 7.846 1.00 0.00 C ATOM 1890 CG GLU A 119 12.289 4.142 8.258 1.00 0.00 C ATOM 1891 CD GLU A 119 13.641 4.473 7.655 1.00 0.00 C ATOM 1892 OE1 GLU A 119 13.895 5.665 7.383 1.00 0.00 O ATOM 1893 OE2 GLU A 119 14.446 3.538 7.457 1.00 0.00 O ATOM 0 H GLU A 119 9.554 4.292 9.515 1.00 0.00 H new ATOM 0 HA GLU A 119 11.530 6.377 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.375 4.577 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.602 5.781 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.372 4.133 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.995 3.138 7.953 1.00 0.00 H new ATOM 1900 N TYR A 120 8.610 7.238 8.788 1.00 0.00 N ATOM 1901 CA TYR A 120 7.760 8.325 8.323 1.00 0.00 C ATOM 1902 C TYR A 120 6.958 8.924 9.475 1.00 0.00 C ATOM 1903 O TYR A 120 5.792 9.284 9.312 1.00 0.00 O ATOM 1904 CB TYR A 120 6.820 7.824 7.227 1.00 0.00 C ATOM 1905 CG TYR A 120 6.962 8.571 5.919 1.00 0.00 C ATOM 1906 CD1 TYR A 120 6.348 9.803 5.730 1.00 0.00 C ATOM 1907 CD2 TYR A 120 7.712 8.043 4.876 1.00 0.00 C ATOM 1908 CE1 TYR A 120 6.478 10.487 4.536 1.00 0.00 C ATOM 1909 CE2 TYR A 120 7.845 8.721 3.680 1.00 0.00 C ATOM 1910 CZ TYR A 120 7.227 9.942 3.515 1.00 0.00 C ATOM 1911 OH TYR A 120 7.359 10.621 2.325 1.00 0.00 O ATOM 0 H TYR A 120 8.137 6.555 9.380 1.00 0.00 H new ATOM 0 HA TYR A 120 8.399 9.107 7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 120 7.010 6.765 7.053 1.00 0.00 H new ATOM 0 HB3 TYR A 120 5.791 7.910 7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.760 10.233 6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.199 7.087 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.995 11.444 4.404 1.00 0.00 H new ATOM 0 HE2 TYR A 120 8.430 8.296 2.878 1.00 0.00 H new ATOM 0 HH TYR A 120 7.919 10.101 1.712 1.00 0.00 H new ATOM 1921 N SER A 121 7.590 9.028 10.639 1.00 0.00 N ATOM 1922 CA SER A 121 6.936 9.583 11.818 1.00 0.00 C ATOM 1923 C SER A 121 6.736 11.088 11.670 1.00 0.00 C ATOM 1924 O SER A 121 7.499 11.761 10.978 1.00 0.00 O ATOM 1925 CB SER A 121 7.760 9.287 13.072 1.00 0.00 C ATOM 1926 OG SER A 121 9.130 9.583 12.864 1.00 0.00 O ATOM 0 H SER A 121 8.555 8.735 10.791 1.00 0.00 H new ATOM 0 HA SER A 121 5.958 9.112 11.916 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.380 9.875 13.907 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.649 8.238 13.345 1.00 0.00 H new ATOM 0 HG SER A 121 9.635 9.387 13.681 1.00 0.00 H new TER 1932 SER A 121