USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 97 TYR OH : rot 108:sc= 0.15 USER MOD Set 1.2: A 115 HIS : no HE2:sc= 1.03 K(o=1.2,f=-4.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -43:sc= -2.34 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 16 SER OG : rot 180:sc= -0.116 USER MOD Single : A 18 SER OG : rot 180:sc= -0.398 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.117 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 30 THR OG1 : rot 2:sc= 0.551 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= 0.792 (180deg=0.221) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.195) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0381) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.825 K(o=-0.83,f=-5.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.16 X(o=-1.2,f=-0.91) USER MOD Single : A 71 SER OG : rot -135:sc= 0.405 USER MOD Single : A 74 SER OG : rot 132:sc= 0.0611 USER MOD Single : A 80 THR OG1 : rot -85:sc= 1.02! USER MOD Single : A 87 THR OG1 : rot -158:sc= -1.88 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0353) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -110:sc= -2.07 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.735 1.180 14.546 1.00 0.00 N ATOM 21 CA LYS A 2 -0.146 0.399 13.464 1.00 0.00 C ATOM 22 C LYS A 2 -1.222 -0.133 12.523 1.00 0.00 C ATOM 23 O LYS A 2 -1.870 -1.141 12.808 1.00 0.00 O ATOM 24 CB LYS A 2 0.672 -0.763 14.031 1.00 0.00 C ATOM 25 CG LYS A 2 1.808 -0.321 14.939 1.00 0.00 C ATOM 26 CD LYS A 2 3.000 0.175 14.138 1.00 0.00 C ATOM 27 CE LYS A 2 4.306 -0.058 14.880 1.00 0.00 C ATOM 28 NZ LYS A 2 4.763 1.163 15.598 1.00 0.00 N ATOM 0 HA LYS A 2 0.513 1.056 12.896 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.009 -1.425 14.588 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.083 -1.344 13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.459 0.471 15.602 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.115 -1.154 15.572 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.031 -0.336 13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.883 1.239 13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.178 -0.872 15.594 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.074 -0.372 14.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.656 0.962 16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.910 1.933 14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.042 1.449 16.291 1.00 0.00 H new ATOM 42 N ARG A 3 -1.404 0.550 11.397 1.00 0.00 N ATOM 43 CA ARG A 3 -2.397 0.149 10.406 1.00 0.00 C ATOM 44 C ARG A 3 -1.895 0.440 8.995 1.00 0.00 C ATOM 45 O ARG A 3 -1.363 1.515 8.729 1.00 0.00 O ATOM 46 CB ARG A 3 -3.717 0.883 10.650 1.00 0.00 C ATOM 47 CG ARG A 3 -4.127 0.930 12.113 1.00 0.00 C ATOM 48 CD ARG A 3 -3.555 2.154 12.813 1.00 0.00 C ATOM 49 NE ARG A 3 -4.571 2.867 13.585 1.00 0.00 N ATOM 50 CZ ARG A 3 -4.447 4.130 13.985 1.00 0.00 C ATOM 51 NH1 ARG A 3 -3.354 4.823 13.691 1.00 0.00 N ATOM 52 NH2 ARG A 3 -5.420 4.703 14.681 1.00 0.00 N ATOM 0 H ARG A 3 -0.875 1.386 11.148 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.564 -0.924 10.504 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.631 1.902 10.273 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.505 0.396 10.076 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.214 0.942 12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.783 0.027 12.618 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.745 1.848 13.475 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.124 2.827 12.072 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.425 2.367 13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.603 4.388 13.155 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.265 5.791 14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.263 4.175 14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.326 5.671 14.988 1.00 0.00 H new ATOM 66 N VAL A 4 -2.064 -0.523 8.095 1.00 0.00 N ATOM 67 CA VAL A 4 -1.621 -0.359 6.715 1.00 0.00 C ATOM 68 C VAL A 4 -2.765 -0.609 5.738 1.00 0.00 C ATOM 69 O VAL A 4 -3.768 -1.229 6.086 1.00 0.00 O ATOM 70 CB VAL A 4 -0.454 -1.313 6.385 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.196 -0.936 5.063 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.577 -1.308 7.504 1.00 0.00 C ATOM 0 H VAL A 4 -2.503 -1.422 8.295 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.279 0.670 6.610 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.858 -2.321 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.016 -1.623 4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.543 -0.996 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.582 0.082 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.391 -1.987 7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.971 -0.300 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.108 -1.634 8.432 1.00 0.00 H new ATOM 82 N LEU A 5 -2.608 -0.121 4.512 1.00 0.00 N ATOM 83 CA LEU A 5 -3.625 -0.292 3.482 1.00 0.00 C ATOM 84 C LEU A 5 -3.115 -1.198 2.368 1.00 0.00 C ATOM 85 O LEU A 5 -2.033 -0.978 1.826 1.00 0.00 O ATOM 86 CB LEU A 5 -4.033 1.064 2.906 1.00 0.00 C ATOM 87 CG LEU A 5 -5.120 1.010 1.831 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.415 0.458 2.408 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.348 2.390 1.231 1.00 0.00 C ATOM 0 H LEU A 5 -1.784 0.397 4.207 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.497 -0.759 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.381 1.698 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.150 1.543 2.484 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.785 0.342 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.176 0.427 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.244 -0.549 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.754 1.100 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.125 2.331 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.660 3.080 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.423 2.748 0.780 1.00 0.00 H new ATOM 101 N VAL A 6 -3.896 -2.217 2.032 1.00 0.00 N ATOM 102 CA VAL A 6 -3.512 -3.153 0.980 1.00 0.00 C ATOM 103 C VAL A 6 -4.365 -2.963 -0.269 1.00 0.00 C ATOM 104 O VAL A 6 -5.420 -3.579 -0.411 1.00 0.00 O ATOM 105 CB VAL A 6 -3.634 -4.615 1.454 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.140 -5.571 0.379 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.871 -4.818 2.754 1.00 0.00 C ATOM 0 H VAL A 6 -4.795 -2.417 2.470 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.470 -2.942 0.739 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.686 -4.831 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.235 -6.597 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.737 -5.443 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.094 -5.359 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.968 -5.855 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.818 -4.583 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.280 -4.161 3.522 1.00 0.00 H new ATOM 117 N VAL A 7 -3.899 -2.110 -1.176 1.00 0.00 N ATOM 118 CA VAL A 7 -4.622 -1.847 -2.413 1.00 0.00 C ATOM 119 C VAL A 7 -4.249 -2.855 -3.493 1.00 0.00 C ATOM 120 O VAL A 7 -3.089 -2.955 -3.892 1.00 0.00 O ATOM 121 CB VAL A 7 -4.355 -0.421 -2.936 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.284 -0.091 -4.094 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.507 0.596 -1.814 1.00 0.00 C ATOM 0 H VAL A 7 -3.026 -1.591 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.683 -1.943 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.329 -0.375 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.079 0.919 -4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.120 -0.800 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.319 -0.155 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.315 1.597 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.521 0.549 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.795 0.371 -1.020 1.00 0.00 H new ATOM 133 N ASP A 8 -5.246 -3.600 -3.960 1.00 0.00 N ATOM 134 CA ASP A 8 -5.032 -4.604 -4.993 1.00 0.00 C ATOM 135 C ASP A 8 -6.345 -4.931 -5.701 1.00 0.00 C ATOM 136 O ASP A 8 -7.394 -5.027 -5.065 1.00 0.00 O ATOM 137 CB ASP A 8 -4.427 -5.872 -4.382 1.00 0.00 C ATOM 138 CG ASP A 8 -4.184 -6.958 -5.413 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.154 -7.372 -6.080 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.022 -7.395 -5.551 1.00 0.00 O ATOM 0 H ASP A 8 -6.211 -3.526 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.334 -4.202 -5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.485 -5.622 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.095 -6.253 -3.609 1.00 0.00 H new ATOM 145 N ASP A 9 -6.280 -5.095 -7.018 1.00 0.00 N ATOM 146 CA ASP A 9 -7.466 -5.404 -7.806 1.00 0.00 C ATOM 147 C ASP A 9 -7.666 -6.913 -7.920 1.00 0.00 C ATOM 148 O ASP A 9 -7.853 -7.447 -9.013 1.00 0.00 O ATOM 149 CB ASP A 9 -7.357 -4.772 -9.198 1.00 0.00 C ATOM 150 CG ASP A 9 -8.573 -5.050 -10.061 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.633 -5.400 -9.499 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.467 -4.915 -11.298 1.00 0.00 O ATOM 0 H ASP A 9 -5.420 -5.019 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.334 -4.985 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.228 -3.695 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.466 -5.153 -9.698 1.00 0.00 H new ATOM 157 N GLU A 10 -7.627 -7.595 -6.780 1.00 0.00 N ATOM 158 CA GLU A 10 -7.806 -9.042 -6.747 1.00 0.00 C ATOM 159 C GLU A 10 -8.389 -9.488 -5.409 1.00 0.00 C ATOM 160 O GLU A 10 -7.687 -9.533 -4.399 1.00 0.00 O ATOM 161 CB GLU A 10 -6.471 -9.748 -6.997 1.00 0.00 C ATOM 162 CG GLU A 10 -6.595 -10.995 -7.856 1.00 0.00 C ATOM 163 CD GLU A 10 -6.767 -12.256 -7.032 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.356 -12.255 -5.853 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.313 -13.244 -7.566 1.00 0.00 O ATOM 0 H GLU A 10 -7.473 -7.169 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.506 -9.315 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.786 -9.051 -7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.028 -10.019 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.446 -10.886 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.707 -11.092 -8.480 1.00 0.00 H new ATOM 217 N THR A 14 -5.633 -9.636 0.175 1.00 0.00 N ATOM 218 CA THR A 14 -4.526 -10.249 -0.541 1.00 0.00 C ATOM 219 C THR A 14 -4.081 -11.511 0.190 1.00 0.00 C ATOM 220 O THR A 14 -4.019 -11.535 1.418 1.00 0.00 O ATOM 221 CB THR A 14 -3.367 -9.260 -0.679 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.824 -8.943 0.591 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.770 -7.958 -1.345 1.00 0.00 C ATOM 0 HA THR A 14 -4.854 -10.523 -1.544 1.00 0.00 H new ATOM 0 HB THR A 14 -2.631 -9.761 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.552 -8.797 1.231 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.903 -7.300 -1.413 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.149 -8.163 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.548 -7.473 -0.755 1.00 0.00 H new ATOM 231 N SER A 15 -3.792 -12.563 -0.565 1.00 0.00 N ATOM 232 CA SER A 15 -3.377 -13.833 0.023 1.00 0.00 C ATOM 233 C SER A 15 -2.058 -13.706 0.779 1.00 0.00 C ATOM 234 O SER A 15 -1.135 -13.023 0.334 1.00 0.00 O ATOM 235 CB SER A 15 -3.250 -14.900 -1.064 1.00 0.00 C ATOM 236 OG SER A 15 -2.494 -14.420 -2.163 1.00 0.00 O ATOM 0 H SER A 15 -3.837 -12.564 -1.584 1.00 0.00 H new ATOM 0 HA SER A 15 -4.144 -14.128 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.774 -15.789 -0.651 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.242 -15.198 -1.403 1.00 0.00 H new ATOM 0 HG SER A 15 -2.425 -15.121 -2.844 1.00 0.00 H new ATOM 242 N SER A 16 -1.978 -14.389 1.922 1.00 0.00 N ATOM 243 CA SER A 16 -0.775 -14.390 2.756 1.00 0.00 C ATOM 244 C SER A 16 -0.654 -13.129 3.613 1.00 0.00 C ATOM 245 O SER A 16 0.251 -13.029 4.438 1.00 0.00 O ATOM 246 CB SER A 16 0.479 -14.548 1.891 1.00 0.00 C ATOM 247 OG SER A 16 0.274 -15.504 0.866 1.00 0.00 O ATOM 0 H SER A 16 -2.741 -14.954 2.294 1.00 0.00 H new ATOM 0 HA SER A 16 -0.865 -15.240 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.743 -13.587 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.319 -14.854 2.515 1.00 0.00 H new ATOM 0 HG SER A 16 1.088 -15.585 0.327 1.00 0.00 H new ATOM 253 N LEU A 17 -1.555 -12.168 3.427 1.00 0.00 N ATOM 254 CA LEU A 17 -1.506 -10.934 4.204 1.00 0.00 C ATOM 255 C LEU A 17 -2.327 -11.063 5.484 1.00 0.00 C ATOM 256 O LEU A 17 -1.853 -10.736 6.572 1.00 0.00 O ATOM 257 CB LEU A 17 -2.017 -9.753 3.364 1.00 0.00 C ATOM 258 CG LEU A 17 -0.973 -8.692 2.965 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.203 -7.400 3.730 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.451 -9.189 3.186 1.00 0.00 C ATOM 0 H LEU A 17 -2.319 -12.219 2.753 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.468 -10.748 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.465 -10.150 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.812 -9.257 3.920 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.097 -8.499 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.456 -6.664 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.198 -7.017 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.120 -7.591 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.157 -8.412 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.593 -9.430 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.623 -10.081 2.584 1.00 0.00 H new ATOM 272 N SER A 18 -3.557 -11.541 5.346 1.00 0.00 N ATOM 273 CA SER A 18 -4.447 -11.714 6.492 1.00 0.00 C ATOM 274 C SER A 18 -3.733 -12.422 7.642 1.00 0.00 C ATOM 275 O SER A 18 -3.776 -11.969 8.786 1.00 0.00 O ATOM 276 CB SER A 18 -5.689 -12.506 6.079 1.00 0.00 C ATOM 277 OG SER A 18 -5.440 -13.902 6.113 1.00 0.00 O ATOM 0 H SER A 18 -3.963 -11.817 4.452 1.00 0.00 H new ATOM 0 HA SER A 18 -4.750 -10.726 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.516 -12.265 6.746 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.994 -12.212 5.075 1.00 0.00 H new ATOM 0 HG SER A 18 -6.250 -14.385 5.847 1.00 0.00 H new ATOM 283 N ALA A 19 -3.075 -13.534 7.329 1.00 0.00 N ATOM 284 CA ALA A 19 -2.351 -14.303 8.335 1.00 0.00 C ATOM 285 C ALA A 19 -1.207 -13.489 8.931 1.00 0.00 C ATOM 286 O ALA A 19 -1.075 -13.382 10.150 1.00 0.00 O ATOM 287 CB ALA A 19 -1.822 -15.594 7.728 1.00 0.00 C ATOM 0 H ALA A 19 -3.028 -13.922 6.387 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.044 -14.548 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.283 -16.160 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.656 -16.189 7.356 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.147 -15.359 6.905 1.00 0.00 H new ATOM 293 N ILE A 20 -0.383 -12.916 8.059 1.00 0.00 N ATOM 294 CA ILE A 20 0.755 -12.109 8.490 1.00 0.00 C ATOM 295 C ILE A 20 0.315 -10.999 9.438 1.00 0.00 C ATOM 296 O ILE A 20 0.620 -11.031 10.628 1.00 0.00 O ATOM 297 CB ILE A 20 1.481 -11.491 7.274 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.171 -12.582 6.461 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.490 -10.441 7.714 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.688 -12.097 5.126 1.00 0.00 C ATOM 0 H ILE A 20 -0.482 -12.996 7.047 1.00 0.00 H new ATOM 0 HA ILE A 20 1.442 -12.770 9.019 1.00 0.00 H new ATOM 0 HB ILE A 20 0.736 -11.001 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.002 -12.986 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.470 -13.400 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.986 -10.023 6.838 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.976 -9.646 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.233 -10.901 8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.167 -12.923 4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.857 -11.720 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.413 -11.299 5.285 1.00 0.00 H new ATOM 312 N LEU A 21 -0.401 -10.017 8.901 1.00 0.00 N ATOM 313 CA LEU A 21 -0.887 -8.893 9.696 1.00 0.00 C ATOM 314 C LEU A 21 -1.488 -9.371 11.016 1.00 0.00 C ATOM 315 O LEU A 21 -1.388 -8.692 12.038 1.00 0.00 O ATOM 316 CB LEU A 21 -1.926 -8.117 8.899 1.00 0.00 C ATOM 317 CG LEU A 21 -1.407 -7.552 7.579 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.335 -7.922 6.432 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.235 -6.046 7.680 1.00 0.00 C ATOM 0 H LEU A 21 -0.659 -9.976 7.915 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.043 -8.243 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.773 -8.771 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.299 -7.296 9.511 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.432 -7.993 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.946 -7.509 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.397 -9.007 6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.328 -7.515 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.864 -5.658 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.195 -5.585 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.522 -5.813 8.471 1.00 0.00 H new ATOM 331 N GLU A 22 -2.107 -10.547 10.982 1.00 0.00 N ATOM 332 CA GLU A 22 -2.720 -11.122 12.174 1.00 0.00 C ATOM 333 C GLU A 22 -1.659 -11.569 13.175 1.00 0.00 C ATOM 334 O GLU A 22 -1.896 -11.575 14.382 1.00 0.00 O ATOM 335 CB GLU A 22 -3.612 -12.300 11.795 1.00 0.00 C ATOM 336 CG GLU A 22 -5.077 -11.928 11.636 1.00 0.00 C ATOM 337 CD GLU A 22 -5.999 -13.126 11.755 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.713 -14.014 12.586 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.005 -13.176 11.018 1.00 0.00 O ATOM 0 H GLU A 22 -2.197 -11.120 10.143 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.330 -10.351 12.645 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.252 -12.732 10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.523 -13.073 12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.345 -11.191 12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.225 -11.455 10.665 1.00 0.00 H new ATOM 346 N GLU A 23 -0.485 -11.939 12.667 1.00 0.00 N ATOM 347 CA GLU A 23 0.609 -12.381 13.517 1.00 0.00 C ATOM 348 C GLU A 23 1.375 -11.181 14.066 1.00 0.00 C ATOM 349 O GLU A 23 1.845 -11.197 15.203 1.00 0.00 O ATOM 350 CB GLU A 23 1.546 -13.299 12.725 1.00 0.00 C ATOM 351 CG GLU A 23 2.898 -13.516 13.385 1.00 0.00 C ATOM 352 CD GLU A 23 3.338 -14.966 13.357 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.811 -15.764 14.162 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.209 -15.306 12.529 1.00 0.00 O ATOM 0 H GLU A 23 -0.271 -11.940 11.670 1.00 0.00 H new ATOM 0 HA GLU A 23 0.199 -12.939 14.359 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.061 -14.265 12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.701 -12.875 11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.646 -12.904 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.852 -13.175 14.419 1.00 0.00 H new ATOM 361 N GLU A 24 1.494 -10.139 13.249 1.00 0.00 N ATOM 362 CA GLU A 24 2.200 -8.929 13.650 1.00 0.00 C ATOM 363 C GLU A 24 1.331 -8.067 14.560 1.00 0.00 C ATOM 364 O GLU A 24 1.820 -7.469 15.519 1.00 0.00 O ATOM 365 CB GLU A 24 2.623 -8.125 12.423 1.00 0.00 C ATOM 366 CG GLU A 24 3.800 -8.729 11.677 1.00 0.00 C ATOM 367 CD GLU A 24 5.090 -8.659 12.472 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.269 -7.681 13.228 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.921 -9.583 12.339 1.00 0.00 O ATOM 0 H GLU A 24 1.110 -10.109 12.305 1.00 0.00 H new ATOM 0 HA GLU A 24 3.091 -9.229 14.203 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.775 -8.043 11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.881 -7.113 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.580 -9.770 11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.932 -8.207 10.730 1.00 0.00 H new ATOM 376 N GLY A 25 0.041 -8.007 14.250 1.00 0.00 N ATOM 377 CA GLY A 25 -0.877 -7.217 15.044 1.00 0.00 C ATOM 378 C GLY A 25 -1.211 -5.891 14.390 1.00 0.00 C ATOM 379 O GLY A 25 -1.544 -4.921 15.071 1.00 0.00 O ATOM 0 H GLY A 25 -0.385 -8.493 13.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.795 -7.782 15.203 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.440 -7.035 16.026 1.00 0.00 H new ATOM 383 N TYR A 26 -1.119 -5.849 13.066 1.00 0.00 N ATOM 384 CA TYR A 26 -1.414 -4.634 12.316 1.00 0.00 C ATOM 385 C TYR A 26 -2.909 -4.507 12.051 1.00 0.00 C ATOM 386 O TYR A 26 -3.707 -5.315 12.524 1.00 0.00 O ATOM 387 CB TYR A 26 -0.654 -4.633 10.989 1.00 0.00 C ATOM 388 CG TYR A 26 0.813 -4.296 11.125 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.223 -2.993 11.371 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.785 -5.281 11.006 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.563 -2.679 11.494 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.127 -4.976 11.128 1.00 0.00 C ATOM 393 CZ TYR A 26 3.510 -3.674 11.372 1.00 0.00 C ATOM 394 OH TYR A 26 4.846 -3.365 11.494 1.00 0.00 O ATOM 0 H TYR A 26 -0.842 -6.643 12.489 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.093 -3.782 12.916 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.750 -5.615 10.526 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.121 -3.915 10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.483 -2.212 11.468 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.487 -6.301 10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.867 -1.660 11.685 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.871 -5.753 11.033 1.00 0.00 H new ATOM 0 HH TYR A 26 5.362 -4.188 11.623 1.00 0.00 H new ATOM 404 N HIS A 27 -3.276 -3.488 11.284 1.00 0.00 N ATOM 405 CA HIS A 27 -4.672 -3.250 10.941 1.00 0.00 C ATOM 406 C HIS A 27 -4.814 -2.979 9.447 1.00 0.00 C ATOM 407 O HIS A 27 -4.796 -1.829 9.010 1.00 0.00 O ATOM 408 CB HIS A 27 -5.226 -2.072 11.743 1.00 0.00 C ATOM 409 CG HIS A 27 -6.675 -2.213 12.089 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.639 -2.560 11.166 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.326 -2.053 13.267 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.819 -2.607 11.760 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.655 -2.304 13.034 1.00 0.00 N ATOM 0 H HIS A 27 -2.624 -2.812 10.887 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.244 -4.143 11.191 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.650 -1.966 12.662 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.085 -1.155 11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.882 -1.779 14.213 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.757 -2.852 11.284 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.397 -2.263 13.733 1.00 0.00 H new ATOM 422 N PRO A 28 -4.951 -4.045 8.641 1.00 0.00 N ATOM 423 CA PRO A 28 -5.088 -3.925 7.191 1.00 0.00 C ATOM 424 C PRO A 28 -6.513 -3.593 6.767 1.00 0.00 C ATOM 425 O PRO A 28 -7.466 -4.248 7.188 1.00 0.00 O ATOM 426 CB PRO A 28 -4.686 -5.310 6.699 1.00 0.00 C ATOM 427 CG PRO A 28 -5.095 -6.234 7.796 1.00 0.00 C ATOM 428 CD PRO A 28 -4.976 -5.453 9.082 1.00 0.00 C ATOM 0 HA PRO A 28 -4.483 -3.116 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.187 -5.559 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.614 -5.368 6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.117 -6.584 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.456 -7.117 7.818 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.817 -5.648 9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.070 -5.717 9.627 1.00 0.00 H new ATOM 436 N ASP A 29 -6.651 -2.568 5.932 1.00 0.00 N ATOM 437 CA ASP A 29 -7.971 -2.157 5.459 1.00 0.00 C ATOM 438 C ASP A 29 -8.199 -2.535 4.008 1.00 0.00 C ATOM 439 O ASP A 29 -9.294 -2.366 3.470 1.00 0.00 O ATOM 440 CB ASP A 29 -8.183 -0.659 5.662 1.00 0.00 C ATOM 441 CG ASP A 29 -9.648 -0.271 5.597 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.378 -0.546 6.572 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.063 0.306 4.570 1.00 0.00 O ATOM 0 H ASP A 29 -5.876 -2.012 5.572 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.706 -2.696 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.774 -0.364 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.630 -0.109 4.900 1.00 0.00 H new ATOM 448 N THR A 30 -7.164 -3.068 3.402 1.00 0.00 N ATOM 449 CA THR A 30 -7.198 -3.514 2.010 1.00 0.00 C ATOM 450 C THR A 30 -7.901 -2.516 1.087 1.00 0.00 C ATOM 451 O THR A 30 -8.457 -1.512 1.528 1.00 0.00 O ATOM 452 CB THR A 30 -7.882 -4.877 1.915 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.240 -4.785 2.306 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.225 -5.934 2.776 1.00 0.00 C ATOM 0 H THR A 30 -6.262 -3.210 3.857 1.00 0.00 H new ATOM 0 HA THR A 30 -6.164 -3.590 1.674 1.00 0.00 H new ATOM 0 HB THR A 30 -7.793 -5.175 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.453 -3.856 2.532 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.758 -6.878 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.188 -6.064 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.255 -5.623 3.820 1.00 0.00 H new ATOM 462 N ALA A 31 -7.863 -2.814 -0.206 1.00 0.00 N ATOM 463 CA ALA A 31 -8.482 -1.971 -1.216 1.00 0.00 C ATOM 464 C ALA A 31 -8.628 -2.734 -2.530 1.00 0.00 C ATOM 465 O ALA A 31 -8.093 -3.832 -2.679 1.00 0.00 O ATOM 466 CB ALA A 31 -7.660 -0.710 -1.416 1.00 0.00 C ATOM 0 H ALA A 31 -7.404 -3.644 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.478 -1.686 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.131 -0.085 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.603 -0.160 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.655 -0.979 -1.741 1.00 0.00 H new ATOM 472 N LYS A 32 -9.353 -2.153 -3.478 1.00 0.00 N ATOM 473 CA LYS A 32 -9.561 -2.791 -4.773 1.00 0.00 C ATOM 474 C LYS A 32 -8.709 -2.129 -5.849 1.00 0.00 C ATOM 475 O LYS A 32 -8.135 -2.801 -6.705 1.00 0.00 O ATOM 476 CB LYS A 32 -11.038 -2.731 -5.168 1.00 0.00 C ATOM 477 CG LYS A 32 -11.987 -3.035 -4.020 1.00 0.00 C ATOM 478 CD LYS A 32 -13.440 -2.956 -4.460 1.00 0.00 C ATOM 479 CE LYS A 32 -14.382 -3.394 -3.352 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.622 -2.569 -3.318 1.00 0.00 N ATOM 0 H LYS A 32 -9.805 -1.245 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.259 -3.835 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.261 -1.739 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.219 -3.440 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.778 -4.031 -3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.813 -2.330 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.676 -1.934 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.590 -3.586 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.647 -4.442 -3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.871 -3.322 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.958 -2.488 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.418 -1.621 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.356 -3.021 -3.900 1.00 0.00 H new ATOM 494 N THR A 33 -8.631 -0.805 -5.798 1.00 0.00 N ATOM 495 CA THR A 33 -7.849 -0.046 -6.764 1.00 0.00 C ATOM 496 C THR A 33 -7.562 1.355 -6.238 1.00 0.00 C ATOM 497 O THR A 33 -7.887 1.676 -5.095 1.00 0.00 O ATOM 498 CB THR A 33 -8.591 0.039 -8.099 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.525 -1.019 -8.223 1.00 0.00 O ATOM 500 CG2 THR A 33 -7.671 -0.020 -9.300 1.00 0.00 C ATOM 0 H THR A 33 -9.101 -0.234 -5.096 1.00 0.00 H new ATOM 0 HA THR A 33 -6.901 -0.562 -6.918 1.00 0.00 H new ATOM 0 HB THR A 33 -9.090 1.008 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.990 -0.946 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.261 0.045 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.969 0.813 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.120 -0.960 -9.290 1.00 0.00 H new ATOM 508 N LEU A 34 -6.952 2.185 -7.075 1.00 0.00 N ATOM 509 CA LEU A 34 -6.626 3.550 -6.685 1.00 0.00 C ATOM 510 C LEU A 34 -7.893 4.358 -6.444 1.00 0.00 C ATOM 511 O LEU A 34 -7.979 5.126 -5.486 1.00 0.00 O ATOM 512 CB LEU A 34 -5.766 4.217 -7.759 1.00 0.00 C ATOM 513 CG LEU A 34 -4.513 3.435 -8.155 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.831 4.086 -9.348 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.554 3.337 -6.976 1.00 0.00 C ATOM 0 H LEU A 34 -6.674 1.938 -8.025 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.060 3.516 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.376 4.372 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.465 5.202 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.811 2.426 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.942 3.515 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.518 4.104 -10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.544 5.106 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.667 2.778 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.262 4.339 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.045 2.825 -6.149 1.00 0.00 H new ATOM 527 N ARG A 35 -8.884 4.171 -7.310 1.00 0.00 N ATOM 528 CA ARG A 35 -10.151 4.876 -7.174 1.00 0.00 C ATOM 529 C ARG A 35 -10.815 4.504 -5.854 1.00 0.00 C ATOM 530 O ARG A 35 -11.232 5.373 -5.086 1.00 0.00 O ATOM 531 CB ARG A 35 -11.078 4.537 -8.343 1.00 0.00 C ATOM 532 CG ARG A 35 -12.250 5.494 -8.486 1.00 0.00 C ATOM 533 CD ARG A 35 -13.409 4.849 -9.228 1.00 0.00 C ATOM 534 NE ARG A 35 -12.974 4.196 -10.461 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.689 3.277 -11.105 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.873 2.900 -10.638 1.00 0.00 N ATOM 537 NH2 ARG A 35 -13.219 2.732 -12.219 1.00 0.00 N ATOM 0 H ARG A 35 -8.834 3.540 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.957 5.949 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.500 4.542 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.460 3.525 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.582 5.814 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.928 6.388 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.891 4.117 -8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.156 5.607 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.069 4.460 -10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.239 3.315 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.417 2.195 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.309 3.017 -12.582 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.767 2.028 -12.713 1.00 0.00 H new ATOM 551 N GLU A 36 -10.895 3.203 -5.593 1.00 0.00 N ATOM 552 CA GLU A 36 -11.492 2.708 -4.361 1.00 0.00 C ATOM 553 C GLU A 36 -10.624 3.080 -3.165 1.00 0.00 C ATOM 554 O GLU A 36 -11.131 3.366 -2.080 1.00 0.00 O ATOM 555 CB GLU A 36 -11.669 1.189 -4.427 1.00 0.00 C ATOM 556 CG GLU A 36 -12.940 0.695 -3.757 1.00 0.00 C ATOM 557 CD GLU A 36 -14.167 0.877 -4.630 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.195 1.842 -5.422 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.100 0.054 -4.521 1.00 0.00 O ATOM 0 H GLU A 36 -10.553 2.474 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.472 3.171 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.674 0.877 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.810 0.711 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.829 -0.360 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.084 1.230 -2.818 1.00 0.00 H new ATOM 566 N ALA A 37 -9.309 3.082 -3.373 1.00 0.00 N ATOM 567 CA ALA A 37 -8.372 3.429 -2.314 1.00 0.00 C ATOM 568 C ALA A 37 -8.447 4.915 -1.993 1.00 0.00 C ATOM 569 O ALA A 37 -8.162 5.334 -0.872 1.00 0.00 O ATOM 570 CB ALA A 37 -6.956 3.038 -2.706 1.00 0.00 C ATOM 0 H ALA A 37 -8.872 2.847 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.648 2.873 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.269 3.305 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.910 1.963 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.672 3.566 -3.617 1.00 0.00 H new ATOM 576 N GLU A 38 -8.848 5.711 -2.980 1.00 0.00 N ATOM 577 CA GLU A 38 -8.977 7.147 -2.788 1.00 0.00 C ATOM 578 C GLU A 38 -10.152 7.442 -1.871 1.00 0.00 C ATOM 579 O GLU A 38 -10.039 8.226 -0.931 1.00 0.00 O ATOM 580 CB GLU A 38 -9.168 7.852 -4.128 1.00 0.00 C ATOM 581 CG GLU A 38 -7.865 8.211 -4.821 1.00 0.00 C ATOM 582 CD GLU A 38 -8.080 9.048 -6.068 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.034 9.853 -6.085 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.293 8.897 -7.026 1.00 0.00 O ATOM 0 H GLU A 38 -9.088 5.385 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.062 7.521 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.754 7.210 -4.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.748 8.761 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.227 8.757 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.336 7.296 -5.088 1.00 0.00 H new ATOM 591 N LYS A 39 -11.279 6.795 -2.147 1.00 0.00 N ATOM 592 CA LYS A 39 -12.476 6.975 -1.339 1.00 0.00 C ATOM 593 C LYS A 39 -12.219 6.517 0.094 1.00 0.00 C ATOM 594 O LYS A 39 -12.773 7.072 1.044 1.00 0.00 O ATOM 595 CB LYS A 39 -13.646 6.196 -1.944 1.00 0.00 C ATOM 596 CG LYS A 39 -14.884 6.160 -1.062 1.00 0.00 C ATOM 597 CD LYS A 39 -14.811 5.030 -0.049 1.00 0.00 C ATOM 598 CE LYS A 39 -16.192 4.488 0.284 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.120 3.278 1.149 1.00 0.00 N ATOM 0 H LYS A 39 -11.387 6.142 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.733 8.034 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.908 6.641 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.324 5.174 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.989 7.112 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.771 6.037 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.189 4.226 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.330 5.387 0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.773 5.260 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.718 4.244 -0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.082 2.939 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.587 2.532 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.641 3.517 2.040 1.00 0.00 H new ATOM 613 N LYS A 40 -11.375 5.498 0.241 1.00 0.00 N ATOM 614 CA LYS A 40 -11.046 4.963 1.557 1.00 0.00 C ATOM 615 C LYS A 40 -10.039 5.854 2.280 1.00 0.00 C ATOM 616 O LYS A 40 -10.151 6.074 3.486 1.00 0.00 O ATOM 617 CB LYS A 40 -10.488 3.546 1.428 1.00 0.00 C ATOM 618 CG LYS A 40 -11.517 2.527 0.967 1.00 0.00 C ATOM 619 CD LYS A 40 -11.326 1.189 1.662 1.00 0.00 C ATOM 620 CE LYS A 40 -12.362 0.173 1.208 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.071 -0.346 -0.158 1.00 0.00 N ATOM 0 H LYS A 40 -10.908 5.028 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.963 4.936 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.656 3.555 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.086 3.234 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.520 2.904 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.439 2.392 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.326 0.809 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.397 1.325 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.389 -0.657 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.350 0.633 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.953 -0.390 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.398 0.288 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.659 -1.298 -0.087 1.00 0.00 H new ATOM 635 N ILE A 41 -9.055 6.360 1.543 1.00 0.00 N ATOM 636 CA ILE A 41 -8.032 7.219 2.129 1.00 0.00 C ATOM 637 C ILE A 41 -8.563 8.632 2.367 1.00 0.00 C ATOM 638 O ILE A 41 -8.117 9.325 3.281 1.00 0.00 O ATOM 639 CB ILE A 41 -6.779 7.283 1.230 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.120 5.904 1.148 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.788 8.316 1.749 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.037 5.815 0.097 1.00 0.00 C ATOM 0 H ILE A 41 -8.945 6.191 0.543 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.757 6.782 3.089 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.089 7.587 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.694 5.655 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.884 5.157 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.914 8.341 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.260 9.299 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.480 8.049 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.614 4.810 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.462 6.032 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.253 6.538 0.320 1.00 0.00 H new ATOM 654 N LYS A 42 -9.515 9.055 1.541 1.00 0.00 N ATOM 655 CA LYS A 42 -10.102 10.385 1.666 1.00 0.00 C ATOM 656 C LYS A 42 -10.549 10.663 3.099 1.00 0.00 C ATOM 657 O LYS A 42 -10.618 11.817 3.524 1.00 0.00 O ATOM 658 CB LYS A 42 -11.288 10.534 0.716 1.00 0.00 C ATOM 659 CG LYS A 42 -11.615 11.978 0.378 1.00 0.00 C ATOM 660 CD LYS A 42 -13.115 12.207 0.288 1.00 0.00 C ATOM 661 CE LYS A 42 -13.581 12.288 -1.156 1.00 0.00 C ATOM 662 NZ LYS A 42 -13.174 13.568 -1.799 1.00 0.00 N ATOM 0 H LYS A 42 -9.896 8.496 0.778 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.334 11.112 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.075 9.992 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.164 10.067 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.191 12.635 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.148 12.245 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.639 11.397 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.375 13.129 0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.167 11.451 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.666 12.192 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.663 13.669 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.429 14.364 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.146 13.566 -1.955 1.00 0.00 H new ATOM 676 N GLU A 43 -10.850 9.601 3.841 1.00 0.00 N ATOM 677 CA GLU A 43 -11.288 9.736 5.224 1.00 0.00 C ATOM 678 C GLU A 43 -10.324 9.037 6.175 1.00 0.00 C ATOM 679 O GLU A 43 -9.736 9.668 7.054 1.00 0.00 O ATOM 680 CB GLU A 43 -12.695 9.159 5.393 1.00 0.00 C ATOM 681 CG GLU A 43 -13.724 9.784 4.463 1.00 0.00 C ATOM 682 CD GLU A 43 -14.619 8.752 3.805 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.186 7.908 4.531 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.752 8.787 2.564 1.00 0.00 O ATOM 0 H GLU A 43 -10.798 8.639 3.507 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.304 10.798 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.662 8.084 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.016 9.302 6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.339 10.486 5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.210 10.358 3.692 1.00 0.00 H new ATOM 691 N LEU A 44 -10.167 7.729 5.997 1.00 0.00 N ATOM 692 CA LEU A 44 -9.276 6.943 6.842 1.00 0.00 C ATOM 693 C LEU A 44 -7.843 7.459 6.760 1.00 0.00 C ATOM 694 O LEU A 44 -7.298 7.639 5.671 1.00 0.00 O ATOM 695 CB LEU A 44 -9.329 5.467 6.437 1.00 0.00 C ATOM 696 CG LEU A 44 -9.805 4.513 7.535 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.868 4.569 8.732 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.227 4.851 7.952 1.00 0.00 C ATOM 0 H LEU A 44 -10.646 7.191 5.275 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.614 7.042 7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.990 5.365 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.335 5.158 6.114 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.795 3.497 7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.222 3.885 9.503 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.864 4.279 8.422 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.846 5.584 9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.550 4.163 8.733 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.262 5.873 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.890 4.760 7.092 1.00 0.00 H new ATOM 710 N PHE A 45 -7.238 7.692 7.920 1.00 0.00 N ATOM 711 CA PHE A 45 -5.865 8.184 7.984 1.00 0.00 C ATOM 712 C PHE A 45 -4.874 7.027 7.931 1.00 0.00 C ATOM 713 O PHE A 45 -4.362 6.586 8.960 1.00 0.00 O ATOM 714 CB PHE A 45 -5.652 8.996 9.263 1.00 0.00 C ATOM 715 CG PHE A 45 -4.522 9.980 9.169 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.207 9.557 9.283 1.00 0.00 C ATOM 717 CD2 PHE A 45 -4.773 11.327 8.967 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.164 10.459 9.197 1.00 0.00 C ATOM 719 CE2 PHE A 45 -3.733 12.235 8.880 1.00 0.00 C ATOM 720 CZ PHE A 45 -2.428 11.800 8.995 1.00 0.00 C ATOM 0 H PHE A 45 -7.677 7.548 8.830 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.693 8.828 7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.571 9.532 9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.459 8.312 10.090 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.995 8.510 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.792 11.672 8.876 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.144 10.116 9.288 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.942 13.283 8.722 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.614 12.507 8.927 1.00 0.00 H new ATOM 730 N PHE A 46 -4.610 6.538 6.724 1.00 0.00 N ATOM 731 CA PHE A 46 -3.683 5.428 6.533 1.00 0.00 C ATOM 732 C PHE A 46 -2.233 5.904 6.599 1.00 0.00 C ATOM 733 O PHE A 46 -1.809 6.726 5.788 1.00 0.00 O ATOM 734 CB PHE A 46 -3.937 4.757 5.182 1.00 0.00 C ATOM 735 CG PHE A 46 -5.178 3.913 5.148 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.221 2.692 5.803 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.299 4.338 4.454 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.362 1.913 5.767 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.441 3.563 4.415 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.473 2.350 5.072 1.00 0.00 C ATOM 0 H PHE A 46 -5.025 6.893 5.863 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.850 4.710 7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.011 5.526 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.079 4.135 4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.354 2.346 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.279 5.286 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.385 0.964 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.309 3.906 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.366 1.743 5.043 1.00 0.00 H new ATOM 750 N PRO A 47 -1.443 5.388 7.560 1.00 0.00 N ATOM 751 CA PRO A 47 -0.037 5.764 7.708 1.00 0.00 C ATOM 752 C PRO A 47 0.855 5.046 6.699 1.00 0.00 C ATOM 753 O PRO A 47 1.959 5.497 6.396 1.00 0.00 O ATOM 754 CB PRO A 47 0.289 5.312 9.128 1.00 0.00 C ATOM 755 CG PRO A 47 -0.590 4.132 9.352 1.00 0.00 C ATOM 756 CD PRO A 47 -1.854 4.393 8.571 1.00 0.00 C ATOM 0 HA PRO A 47 0.132 6.826 7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.342 5.048 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.087 6.101 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.106 3.216 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.807 4.004 10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.232 3.483 8.106 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.648 4.777 9.211 1.00 0.00 H new ATOM 764 N VAL A 48 0.370 3.918 6.189 1.00 0.00 N ATOM 765 CA VAL A 48 1.116 3.127 5.222 1.00 0.00 C ATOM 766 C VAL A 48 0.192 2.466 4.204 1.00 0.00 C ATOM 767 O VAL A 48 -0.762 1.783 4.570 1.00 0.00 O ATOM 768 CB VAL A 48 1.919 2.031 5.929 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.974 1.441 5.007 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.544 2.591 7.184 1.00 0.00 C ATOM 0 H VAL A 48 -0.542 3.531 6.433 1.00 0.00 H new ATOM 0 HA VAL A 48 1.788 3.811 4.703 1.00 0.00 H new ATOM 0 HB VAL A 48 1.243 1.222 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.528 0.666 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.491 1.008 4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.661 2.226 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.115 1.810 7.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.208 3.415 6.923 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.761 2.953 7.850 1.00 0.00 H new ATOM 780 N ILE A 49 0.490 2.669 2.928 1.00 0.00 N ATOM 781 CA ILE A 49 -0.295 2.084 1.849 1.00 0.00 C ATOM 782 C ILE A 49 0.550 1.069 1.086 1.00 0.00 C ATOM 783 O ILE A 49 1.773 1.191 1.031 1.00 0.00 O ATOM 784 CB ILE A 49 -0.801 3.157 0.863 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.314 4.381 1.623 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.894 2.586 -0.028 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.529 4.096 2.479 1.00 0.00 C ATOM 0 H ILE A 49 1.275 3.239 2.613 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.159 1.596 2.300 1.00 0.00 H new ATOM 0 HB ILE A 49 0.032 3.467 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.515 4.766 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.560 5.166 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.240 3.356 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.498 1.743 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.728 2.250 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.837 5.009 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.343 3.740 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.283 3.334 3.218 1.00 0.00 H new ATOM 799 N VAL A 50 -0.100 0.073 0.493 1.00 0.00 N ATOM 800 CA VAL A 50 0.610 -0.950 -0.266 1.00 0.00 C ATOM 801 C VAL A 50 -0.153 -1.305 -1.534 1.00 0.00 C ATOM 802 O VAL A 50 -1.059 -2.137 -1.520 1.00 0.00 O ATOM 803 CB VAL A 50 0.837 -2.222 0.573 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.466 -3.326 -0.269 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.703 -1.906 1.782 1.00 0.00 C ATOM 0 H VAL A 50 -1.112 -0.047 0.523 1.00 0.00 H new ATOM 0 HA VAL A 50 1.582 -0.537 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.131 -2.581 0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.616 -4.213 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.806 -3.570 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.427 -2.986 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.856 -2.813 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.667 -1.522 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.207 -1.156 2.399 1.00 0.00 H new ATOM 815 N LEU A 51 0.219 -0.654 -2.625 1.00 0.00 N ATOM 816 CA LEU A 51 -0.429 -0.881 -3.911 1.00 0.00 C ATOM 817 C LEU A 51 0.037 -2.184 -4.552 1.00 0.00 C ATOM 818 O LEU A 51 1.091 -2.721 -4.212 1.00 0.00 O ATOM 819 CB LEU A 51 -0.155 0.290 -4.856 1.00 0.00 C ATOM 820 CG LEU A 51 -0.924 0.250 -6.178 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.422 0.342 -5.928 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.466 1.374 -7.097 1.00 0.00 C ATOM 0 H LEU A 51 0.968 0.038 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.501 -0.958 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.399 1.218 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.912 0.318 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.715 -0.701 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.952 0.312 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.740 -0.497 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.649 1.277 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.024 1.329 -8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.644 2.335 -6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.598 1.264 -7.304 1.00 0.00 H new ATOM 834 N ASP A 52 -0.764 -2.678 -5.489 1.00 0.00 N ATOM 835 CA ASP A 52 -0.461 -3.912 -6.206 1.00 0.00 C ATOM 836 C ASP A 52 -1.126 -3.894 -7.579 1.00 0.00 C ATOM 837 O ASP A 52 -2.184 -4.489 -7.777 1.00 0.00 O ATOM 838 CB ASP A 52 -0.938 -5.126 -5.406 1.00 0.00 C ATOM 839 CG ASP A 52 -0.019 -6.322 -5.568 1.00 0.00 C ATOM 840 OD1 ASP A 52 1.148 -6.124 -5.966 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.469 -7.455 -5.299 1.00 0.00 O ATOM 0 H ASP A 52 -1.639 -2.237 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 52 0.619 -3.985 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.002 -4.860 -4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.943 -5.397 -5.728 1.00 0.00 H new ATOM 846 N VAL A 53 -0.504 -3.185 -8.515 1.00 0.00 N ATOM 847 CA VAL A 53 -1.034 -3.058 -9.867 1.00 0.00 C ATOM 848 C VAL A 53 -1.187 -4.412 -10.559 1.00 0.00 C ATOM 849 O VAL A 53 -0.329 -4.824 -11.339 1.00 0.00 O ATOM 850 CB VAL A 53 -0.140 -2.140 -10.727 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.036 -0.761 -10.096 1.00 0.00 C ATOM 852 CG2 VAL A 53 1.244 -2.746 -10.916 1.00 0.00 C ATOM 0 H VAL A 53 0.373 -2.687 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.024 -2.613 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.601 -2.041 -11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.598 -0.125 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.030 -0.320 -10.021 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.399 -0.848 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.853 -2.079 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.717 -2.883 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.154 -3.711 -11.414 1.00 0.00 H new ATOM 862 N TRP A 54 -2.294 -5.094 -10.289 1.00 0.00 N ATOM 863 CA TRP A 54 -2.552 -6.388 -10.910 1.00 0.00 C ATOM 864 C TRP A 54 -2.685 -6.217 -12.425 1.00 0.00 C ATOM 865 O TRP A 54 -1.694 -6.279 -13.152 1.00 0.00 O ATOM 866 CB TRP A 54 -3.817 -7.023 -10.315 1.00 0.00 C ATOM 867 CG TRP A 54 -4.358 -8.160 -11.130 1.00 0.00 C ATOM 868 CD1 TRP A 54 -3.675 -9.264 -11.548 1.00 0.00 C ATOM 869 CD2 TRP A 54 -5.693 -8.299 -11.631 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.503 -10.081 -12.277 1.00 0.00 N ATOM 871 CE2 TRP A 54 -5.747 -9.512 -12.342 1.00 0.00 C ATOM 872 CE3 TRP A 54 -6.848 -7.516 -11.547 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -6.910 -9.960 -12.963 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -8.002 -7.962 -12.163 1.00 0.00 C ATOM 875 CH2 TRP A 54 -8.025 -9.174 -12.864 1.00 0.00 C ATOM 0 H TRP A 54 -3.022 -4.776 -9.649 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.715 -7.056 -10.709 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.595 -7.381 -9.310 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.587 -6.257 -10.218 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.635 -9.466 -11.337 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.235 -10.969 -12.702 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.839 -6.579 -11.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.931 -10.895 -13.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.901 -7.366 -12.103 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -8.942 -9.495 -13.336 1.00 0.00 H new ATOM 886 N MET A 55 -3.909 -5.985 -12.893 1.00 0.00 N ATOM 887 CA MET A 55 -4.159 -5.787 -14.315 1.00 0.00 C ATOM 888 C MET A 55 -5.333 -4.831 -14.534 1.00 0.00 C ATOM 889 O MET A 55 -6.271 -5.148 -15.267 1.00 0.00 O ATOM 890 CB MET A 55 -4.440 -7.129 -14.995 1.00 0.00 C ATOM 891 CG MET A 55 -4.330 -7.077 -16.511 1.00 0.00 C ATOM 892 SD MET A 55 -2.635 -6.839 -17.077 1.00 0.00 S ATOM 893 CE MET A 55 -2.917 -6.133 -18.700 1.00 0.00 C ATOM 0 H MET A 55 -4.742 -5.930 -12.307 1.00 0.00 H new ATOM 0 HA MET A 55 -3.268 -5.344 -14.759 1.00 0.00 H new ATOM 0 HB2 MET A 55 -3.741 -7.874 -14.614 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.441 -7.462 -14.723 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.723 -8.003 -16.932 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.952 -6.266 -16.889 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.960 -5.929 -19.179 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.485 -6.836 -19.309 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.478 -5.204 -18.600 1.00 0.00 H new ATOM 903 N PRO A 56 -5.305 -3.644 -13.895 1.00 0.00 N ATOM 904 CA PRO A 56 -6.364 -2.655 -14.019 1.00 0.00 C ATOM 905 C PRO A 56 -6.095 -1.639 -15.131 1.00 0.00 C ATOM 906 O PRO A 56 -6.583 -1.794 -16.250 1.00 0.00 O ATOM 907 CB PRO A 56 -6.356 -1.984 -12.643 1.00 0.00 C ATOM 908 CG PRO A 56 -4.972 -2.189 -12.091 1.00 0.00 C ATOM 909 CD PRO A 56 -4.250 -3.161 -12.995 1.00 0.00 C ATOM 0 HA PRO A 56 -7.322 -3.100 -14.290 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.590 -0.923 -12.725 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.107 -2.427 -11.988 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.436 -1.241 -12.044 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.021 -2.578 -11.074 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.445 -2.674 -13.546 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.801 -3.977 -12.429 1.00 0.00 H new ATOM 917 N ASP A 57 -5.319 -0.598 -14.823 1.00 0.00 N ATOM 918 CA ASP A 57 -5.002 0.430 -15.809 1.00 0.00 C ATOM 919 C ASP A 57 -3.917 1.375 -15.296 1.00 0.00 C ATOM 920 O ASP A 57 -2.797 1.385 -15.807 1.00 0.00 O ATOM 921 CB ASP A 57 -6.259 1.224 -16.166 1.00 0.00 C ATOM 922 CG ASP A 57 -6.034 2.177 -17.324 1.00 0.00 C ATOM 923 OD1 ASP A 57 -4.868 2.550 -17.570 1.00 0.00 O ATOM 924 OD2 ASP A 57 -7.025 2.550 -17.986 1.00 0.00 O ATOM 0 H ASP A 57 -4.902 -0.447 -13.904 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.624 -0.068 -16.702 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.062 0.532 -16.420 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.588 1.789 -15.294 1.00 0.00 H new ATOM 929 N GLY A 58 -4.259 2.174 -14.287 1.00 0.00 N ATOM 930 CA GLY A 58 -3.306 3.118 -13.726 1.00 0.00 C ATOM 931 C GLY A 58 -2.003 2.462 -13.311 1.00 0.00 C ATOM 932 O GLY A 58 -1.949 1.251 -13.099 1.00 0.00 O ATOM 0 H GLY A 58 -5.180 2.184 -13.848 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.098 3.896 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.753 3.607 -12.861 1.00 0.00 H new ATOM 936 N ASP A 59 -0.949 3.266 -13.195 1.00 0.00 N ATOM 937 CA ASP A 59 0.361 2.754 -12.802 1.00 0.00 C ATOM 938 C ASP A 59 0.722 3.203 -11.389 1.00 0.00 C ATOM 939 O ASP A 59 1.895 3.255 -11.021 1.00 0.00 O ATOM 940 CB ASP A 59 1.435 3.212 -13.792 1.00 0.00 C ATOM 941 CG ASP A 59 0.972 3.122 -15.234 1.00 0.00 C ATOM 942 OD1 ASP A 59 0.076 3.902 -15.620 1.00 0.00 O ATOM 943 OD2 ASP A 59 1.506 2.272 -15.976 1.00 0.00 O ATOM 0 H ASP A 59 -0.976 4.271 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 59 0.314 1.665 -12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.716 4.241 -13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.329 2.602 -13.662 1.00 0.00 H new ATOM 948 N GLY A 60 -0.299 3.512 -10.603 1.00 0.00 N ATOM 949 CA GLY A 60 -0.091 3.941 -9.230 1.00 0.00 C ATOM 950 C GLY A 60 0.768 5.191 -9.101 1.00 0.00 C ATOM 951 O GLY A 60 1.172 5.549 -7.994 1.00 0.00 O ATOM 0 H GLY A 60 -1.276 3.474 -10.892 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.060 4.128 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.378 3.130 -8.673 1.00 0.00 H new ATOM 955 N VAL A 61 1.050 5.861 -10.216 1.00 0.00 N ATOM 956 CA VAL A 61 1.860 7.067 -10.194 1.00 0.00 C ATOM 957 C VAL A 61 1.008 8.291 -9.872 1.00 0.00 C ATOM 958 O VAL A 61 1.393 9.136 -9.064 1.00 0.00 O ATOM 959 CB VAL A 61 2.559 7.279 -11.546 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.521 8.445 -11.467 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.276 6.013 -11.982 1.00 0.00 C ATOM 0 H VAL A 61 0.728 5.586 -11.144 1.00 0.00 H new ATOM 0 HA VAL A 61 2.613 6.942 -9.415 1.00 0.00 H new ATOM 0 HB VAL A 61 1.802 7.512 -12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.008 8.581 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.974 9.351 -11.205 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.275 8.244 -10.706 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.765 6.184 -12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.024 5.744 -11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.554 5.202 -12.081 1.00 0.00 H new ATOM 971 N ASN A 62 -0.155 8.380 -10.505 1.00 0.00 N ATOM 972 CA ASN A 62 -1.060 9.480 -10.286 1.00 0.00 C ATOM 973 C ASN A 62 -1.650 9.427 -8.877 1.00 0.00 C ATOM 974 O ASN A 62 -2.251 10.394 -8.408 1.00 0.00 O ATOM 975 CB ASN A 62 -2.168 9.408 -11.327 1.00 0.00 C ATOM 976 CG ASN A 62 -2.864 8.061 -11.342 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.210 7.516 -10.294 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.072 7.516 -12.535 1.00 0.00 N ATOM 0 H ASN A 62 -0.488 7.691 -11.179 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.519 10.421 -10.382 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.901 10.190 -11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.749 9.608 -12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.535 6.610 -12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.768 8.003 -13.378 1.00 0.00 H new ATOM 985 N PHE A 63 -1.478 8.286 -8.212 1.00 0.00 N ATOM 986 CA PHE A 63 -1.993 8.096 -6.862 1.00 0.00 C ATOM 987 C PHE A 63 -0.999 8.591 -5.814 1.00 0.00 C ATOM 988 O PHE A 63 -1.391 8.988 -4.718 1.00 0.00 O ATOM 989 CB PHE A 63 -2.303 6.615 -6.630 1.00 0.00 C ATOM 990 CG PHE A 63 -3.156 6.346 -5.421 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.176 7.215 -5.063 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.939 5.219 -4.643 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.961 6.963 -3.955 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.722 4.964 -3.533 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.734 5.838 -3.189 1.00 0.00 C ATOM 0 H PHE A 63 -0.984 7.478 -8.590 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.907 8.681 -6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.806 6.218 -7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.364 6.071 -6.527 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.358 8.098 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.149 4.532 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.753 7.647 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.543 4.082 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.347 5.641 -2.322 1.00 0.00 H new ATOM 1005 N ILE A 64 0.289 8.567 -6.157 1.00 0.00 N ATOM 1006 CA ILE A 64 1.338 9.012 -5.240 1.00 0.00 C ATOM 1007 C ILE A 64 0.987 10.356 -4.611 1.00 0.00 C ATOM 1008 O ILE A 64 1.121 10.540 -3.401 1.00 0.00 O ATOM 1009 CB ILE A 64 2.705 9.142 -5.949 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.994 7.916 -6.824 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.814 9.336 -4.926 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.812 6.596 -6.113 1.00 0.00 C ATOM 0 H ILE A 64 0.631 8.244 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 64 1.410 8.250 -4.464 1.00 0.00 H new ATOM 0 HB ILE A 64 2.667 10.017 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.338 7.941 -7.694 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.017 7.980 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.771 9.426 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.624 10.242 -4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.842 8.479 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.035 5.779 -6.799 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.487 6.547 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.782 6.508 -5.767 1.00 0.00 H new ATOM 1024 N ASP A 65 0.535 11.291 -5.438 1.00 0.00 N ATOM 1025 CA ASP A 65 0.163 12.615 -4.957 1.00 0.00 C ATOM 1026 C ASP A 65 -1.041 12.527 -4.029 1.00 0.00 C ATOM 1027 O ASP A 65 -1.079 13.175 -2.983 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.143 13.546 -6.131 1.00 0.00 C ATOM 1029 CG ASP A 65 0.393 14.948 -5.912 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.584 15.181 -6.208 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -0.379 15.813 -5.446 1.00 0.00 O ATOM 0 H ASP A 65 0.418 11.157 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 65 1.005 13.024 -4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.290 13.132 -7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.221 13.592 -6.283 1.00 0.00 H new ATOM 1036 N PHE A 66 -2.019 11.710 -4.410 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.215 11.532 -3.597 1.00 0.00 C ATOM 1038 C PHE A 66 -2.836 11.024 -2.212 1.00 0.00 C ATOM 1039 O PHE A 66 -3.514 11.312 -1.225 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.178 10.556 -4.269 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.529 10.501 -3.612 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.714 9.790 -2.438 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.611 11.161 -4.171 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.955 9.739 -1.832 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.854 11.114 -3.569 1.00 0.00 C ATOM 1046 CZ PHE A 66 -8.026 10.401 -2.398 1.00 0.00 C ATOM 0 H PHE A 66 -2.006 11.164 -5.272 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.713 12.496 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.302 10.841 -5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.737 9.559 -4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.880 9.270 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.482 11.718 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.087 9.182 -0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.690 11.634 -4.013 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.997 10.362 -1.926 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.739 10.275 -2.147 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.258 9.737 -0.884 1.00 0.00 C ATOM 1058 C ILE A 67 -0.835 10.864 0.049 1.00 0.00 C ATOM 1059 O ILE A 67 -1.225 10.900 1.216 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.066 8.777 -1.093 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.354 7.771 -2.215 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.259 8.047 0.204 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.795 7.309 -2.282 1.00 0.00 C ATOM 0 H ILE A 67 -1.168 10.028 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.080 9.178 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 67 0.798 9.372 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.084 8.222 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.289 6.901 -2.081 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.101 7.374 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.518 8.773 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.609 7.471 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.912 6.600 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.066 6.826 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.445 8.168 -2.449 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.041 11.793 -0.475 1.00 0.00 N ATOM 1076 CA LYS A 68 0.428 12.927 0.313 1.00 0.00 C ATOM 1077 C LYS A 68 -0.629 14.031 0.369 1.00 0.00 C ATOM 1078 O LYS A 68 -0.540 14.943 1.189 1.00 0.00 O ATOM 1079 CB LYS A 68 1.728 13.481 -0.272 1.00 0.00 C ATOM 1080 CG LYS A 68 2.884 12.495 -0.227 1.00 0.00 C ATOM 1081 CD LYS A 68 4.161 13.153 0.270 1.00 0.00 C ATOM 1082 CE LYS A 68 5.073 13.540 -0.884 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.805 14.808 -0.612 1.00 0.00 N ATOM 0 H LYS A 68 0.290 11.783 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 68 0.614 12.576 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.554 13.777 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.008 14.382 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.626 11.661 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.050 12.082 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.912 14.040 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.687 12.471 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.790 12.739 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.482 13.650 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.416 15.037 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.122 15.578 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.389 14.695 0.241 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.630 13.940 -0.503 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.698 14.931 -0.543 1.00 0.00 C ATOM 1099 C GLU A 69 -3.618 14.782 0.664 1.00 0.00 C ATOM 1100 O GLU A 69 -4.068 15.771 1.242 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.505 14.791 -1.833 1.00 0.00 C ATOM 1102 CG GLU A 69 -4.420 15.973 -2.111 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.156 15.843 -3.430 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -6.260 15.258 -3.440 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.629 16.327 -4.454 1.00 0.00 O ATOM 0 H GLU A 69 -1.722 13.191 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.244 15.921 -0.514 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.818 14.670 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.105 13.883 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.145 16.065 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.831 16.890 -2.117 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.891 13.537 1.039 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.755 13.250 2.179 1.00 0.00 C ATOM 1114 C ASN A 70 -4.037 12.380 3.210 1.00 0.00 C ATOM 1115 O ASN A 70 -4.661 11.859 4.134 1.00 0.00 O ATOM 1116 CB ASN A 70 -6.039 12.553 1.718 1.00 0.00 C ATOM 1117 CG ASN A 70 -6.503 13.027 0.353 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -7.502 13.736 0.234 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.776 12.631 -0.685 1.00 0.00 N ATOM 0 H ASN A 70 -3.526 12.709 0.569 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.012 14.200 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.872 11.476 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.828 12.733 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.038 12.914 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.955 12.043 -0.538 1.00 0.00 H new ATOM 1126 N SER A 71 -2.726 12.225 3.048 1.00 0.00 N ATOM 1127 CA SER A 71 -1.933 11.418 3.967 1.00 0.00 C ATOM 1128 C SER A 71 -0.464 11.831 3.917 1.00 0.00 C ATOM 1129 O SER A 71 0.394 11.064 3.478 1.00 0.00 O ATOM 1130 CB SER A 71 -2.079 9.933 3.626 1.00 0.00 C ATOM 1131 OG SER A 71 -2.878 9.265 4.587 1.00 0.00 O ATOM 0 H SER A 71 -2.192 12.648 2.289 1.00 0.00 H new ATOM 0 HA SER A 71 -2.302 11.585 4.979 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.527 9.826 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.094 9.468 3.581 1.00 0.00 H new ATOM 0 HG SER A 71 -2.452 8.418 4.834 1.00 0.00 H new ATOM 1137 N PRO A 72 -0.152 13.058 4.368 1.00 0.00 N ATOM 1138 CA PRO A 72 1.218 13.575 4.374 1.00 0.00 C ATOM 1139 C PRO A 72 2.092 12.875 5.403 1.00 0.00 C ATOM 1140 O PRO A 72 3.320 12.906 5.322 1.00 0.00 O ATOM 1141 CB PRO A 72 1.053 15.062 4.729 1.00 0.00 C ATOM 1142 CG PRO A 72 -0.412 15.339 4.628 1.00 0.00 C ATOM 1143 CD PRO A 72 -1.102 14.038 4.904 1.00 0.00 C ATOM 0 HA PRO A 72 1.714 13.412 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.423 15.269 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.619 15.694 4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.715 16.101 5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.670 15.714 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.280 13.891 5.969 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.071 13.978 4.408 1.00 0.00 H new ATOM 1151 N ASP A 73 1.444 12.244 6.366 1.00 0.00 N ATOM 1152 CA ASP A 73 2.145 11.523 7.423 1.00 0.00 C ATOM 1153 C ASP A 73 2.007 10.016 7.230 1.00 0.00 C ATOM 1154 O ASP A 73 2.015 9.252 8.195 1.00 0.00 O ATOM 1155 CB ASP A 73 1.601 11.928 8.793 1.00 0.00 C ATOM 1156 CG ASP A 73 2.406 11.334 9.933 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.481 11.886 10.251 1.00 0.00 O ATOM 1158 OD2 ASP A 73 1.960 10.320 10.509 1.00 0.00 O ATOM 0 H ASP A 73 0.427 12.214 6.441 1.00 0.00 H new ATOM 0 HA ASP A 73 3.202 11.784 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.606 13.015 8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.563 11.606 8.878 1.00 0.00 H new ATOM 1163 N SER A 74 1.879 9.597 5.974 1.00 0.00 N ATOM 1164 CA SER A 74 1.739 8.183 5.647 1.00 0.00 C ATOM 1165 C SER A 74 2.975 7.673 4.912 1.00 0.00 C ATOM 1166 O SER A 74 4.028 8.309 4.939 1.00 0.00 O ATOM 1167 CB SER A 74 0.490 7.968 4.790 1.00 0.00 C ATOM 1168 OG SER A 74 0.291 6.592 4.510 1.00 0.00 O ATOM 0 H SER A 74 1.869 10.219 5.165 1.00 0.00 H new ATOM 0 HA SER A 74 1.637 7.621 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.383 8.366 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.587 8.522 3.856 1.00 0.00 H new ATOM 0 HG SER A 74 -0.642 6.353 4.689 1.00 0.00 H new ATOM 1174 N VAL A 75 2.843 6.527 4.246 1.00 0.00 N ATOM 1175 CA VAL A 75 3.955 5.954 3.502 1.00 0.00 C ATOM 1176 C VAL A 75 3.477 5.121 2.325 1.00 0.00 C ATOM 1177 O VAL A 75 2.551 4.328 2.447 1.00 0.00 O ATOM 1178 CB VAL A 75 4.852 5.069 4.373 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.072 4.647 3.565 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.256 5.800 5.642 1.00 0.00 C ATOM 0 H VAL A 75 1.981 5.982 4.208 1.00 0.00 H new ATOM 0 HA VAL A 75 4.530 6.809 3.146 1.00 0.00 H new ATOM 0 HB VAL A 75 4.303 4.177 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.715 4.017 4.179 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.751 4.089 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.625 5.533 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.893 5.154 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.802 6.707 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.364 6.064 6.210 1.00 0.00 H new ATOM 1190 N VAL A 76 4.110 5.326 1.183 1.00 0.00 N ATOM 1191 CA VAL A 76 3.738 4.607 -0.032 1.00 0.00 C ATOM 1192 C VAL A 76 4.820 3.624 -0.460 1.00 0.00 C ATOM 1193 O VAL A 76 5.903 4.021 -0.887 1.00 0.00 O ATOM 1194 CB VAL A 76 3.449 5.570 -1.202 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.518 4.917 -2.210 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.862 6.881 -0.697 1.00 0.00 C ATOM 0 H VAL A 76 4.883 5.982 1.067 1.00 0.00 H new ATOM 0 HA VAL A 76 2.829 4.056 0.210 1.00 0.00 H new ATOM 0 HB VAL A 76 4.393 5.795 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.325 5.610 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.983 4.013 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.578 4.659 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.668 7.542 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.929 6.683 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.569 7.358 -0.018 1.00 0.00 H new ATOM 1206 N ILE A 77 4.510 2.336 -0.357 1.00 0.00 N ATOM 1207 CA ILE A 77 5.445 1.290 -0.747 1.00 0.00 C ATOM 1208 C ILE A 77 5.208 0.882 -2.197 1.00 0.00 C ATOM 1209 O ILE A 77 6.154 0.692 -2.962 1.00 0.00 O ATOM 1210 CB ILE A 77 5.318 0.050 0.161 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.492 0.448 1.629 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.342 -1.007 -0.230 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.874 0.971 1.955 1.00 0.00 C ATOM 0 H ILE A 77 3.616 1.992 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 77 6.452 1.694 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 77 4.322 -0.374 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.755 1.211 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.282 -0.417 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.237 -1.874 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.177 -1.308 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.346 -0.596 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.924 1.233 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.615 0.202 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.080 1.855 1.352 1.00 0.00 H new ATOM 1225 N VAL A 78 3.935 0.758 -2.570 1.00 0.00 N ATOM 1226 CA VAL A 78 3.563 0.383 -3.932 1.00 0.00 C ATOM 1227 C VAL A 78 4.396 -0.797 -4.429 1.00 0.00 C ATOM 1228 O VAL A 78 5.278 -0.639 -5.274 1.00 0.00 O ATOM 1229 CB VAL A 78 3.732 1.573 -4.898 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.234 1.213 -6.290 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.001 2.796 -4.364 1.00 0.00 C ATOM 0 H VAL A 78 3.143 0.912 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 78 2.514 0.088 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 78 4.794 1.810 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.363 2.067 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.804 0.366 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.178 0.947 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.129 3.628 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.940 2.570 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.410 3.068 -3.391 1.00 0.00 H new ATOM 1241 N ILE A 79 4.108 -1.981 -3.894 1.00 0.00 N ATOM 1242 CA ILE A 79 4.829 -3.189 -4.276 1.00 0.00 C ATOM 1243 C ILE A 79 4.756 -3.423 -5.786 1.00 0.00 C ATOM 1244 O ILE A 79 5.482 -2.790 -6.552 1.00 0.00 O ATOM 1245 CB ILE A 79 4.300 -4.422 -3.510 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.349 -4.168 -2.000 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.107 -5.662 -3.875 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.949 -5.367 -1.167 1.00 0.00 C ATOM 0 H ILE A 79 3.380 -2.128 -3.195 1.00 0.00 H new ATOM 0 HA ILE A 79 5.875 -3.044 -4.005 1.00 0.00 H new ATOM 0 HB ILE A 79 3.263 -4.594 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.359 -3.866 -1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.690 -3.334 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.721 -6.521 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.024 -5.848 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.154 -5.505 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.008 -5.111 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.928 -5.657 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.623 -6.197 -1.378 1.00 0.00 H new ATOM 1260 N THR A 80 3.883 -4.328 -6.207 1.00 0.00 N ATOM 1261 CA THR A 80 3.719 -4.639 -7.625 1.00 0.00 C ATOM 1262 C THR A 80 4.953 -5.354 -8.168 1.00 0.00 C ATOM 1263 O THR A 80 5.823 -5.777 -7.407 1.00 0.00 O ATOM 1264 CB THR A 80 3.451 -3.362 -8.433 1.00 0.00 C ATOM 1265 OG1 THR A 80 4.664 -2.788 -8.884 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.703 -2.299 -7.656 1.00 0.00 C ATOM 0 H THR A 80 3.275 -4.862 -5.587 1.00 0.00 H new ATOM 0 HA THR A 80 2.860 -5.302 -7.727 1.00 0.00 H new ATOM 0 HB THR A 80 2.828 -3.681 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.036 -2.215 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.549 -1.426 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.737 -2.692 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.284 -2.013 -6.779 1.00 0.00 H new ATOM 1317 N VAL A 85 9.538 -2.974 -14.414 1.00 0.00 N ATOM 1318 CA VAL A 85 10.135 -2.219 -13.319 1.00 0.00 C ATOM 1319 C VAL A 85 10.210 -0.732 -13.649 1.00 0.00 C ATOM 1320 O VAL A 85 11.092 -0.023 -13.164 1.00 0.00 O ATOM 1321 CB VAL A 85 11.551 -2.730 -12.990 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.480 -4.058 -12.252 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.380 -2.859 -14.258 1.00 0.00 C ATOM 0 HA VAL A 85 9.492 -2.364 -12.451 1.00 0.00 H new ATOM 0 HB VAL A 85 12.038 -2.004 -12.339 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.489 -4.404 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.926 -3.928 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.974 -4.795 -12.876 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.377 -3.221 -14.006 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.899 -3.563 -14.937 1.00 0.00 H new ATOM 0 HG23 VAL A 85 12.459 -1.885 -14.742 1.00 0.00 H new ATOM 1333 N ASP A 86 9.279 -0.263 -14.473 1.00 0.00 N ATOM 1334 CA ASP A 86 9.242 1.141 -14.862 1.00 0.00 C ATOM 1335 C ASP A 86 8.394 1.948 -13.888 1.00 0.00 C ATOM 1336 O ASP A 86 8.895 2.868 -13.242 1.00 0.00 O ATOM 1337 CB ASP A 86 8.696 1.292 -16.283 1.00 0.00 C ATOM 1338 CG ASP A 86 9.475 0.470 -17.292 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.823 -0.686 -16.973 1.00 0.00 O ATOM 1340 OD2 ASP A 86 9.737 0.983 -18.399 1.00 0.00 O ATOM 0 H ASP A 86 8.541 -0.835 -14.884 1.00 0.00 H new ATOM 0 HA ASP A 86 10.262 1.525 -14.836 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.649 0.988 -16.301 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.728 2.343 -16.572 1.00 0.00 H new ATOM 1345 N THR A 87 7.109 1.605 -13.774 1.00 0.00 N ATOM 1346 CA THR A 87 6.215 2.312 -12.859 1.00 0.00 C ATOM 1347 C THR A 87 6.882 2.493 -11.504 1.00 0.00 C ATOM 1348 O THR A 87 6.669 3.493 -10.818 1.00 0.00 O ATOM 1349 CB THR A 87 4.895 1.550 -12.699 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.898 2.394 -12.151 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.001 0.329 -11.805 1.00 0.00 C ATOM 0 H THR A 87 6.669 0.849 -14.299 1.00 0.00 H new ATOM 0 HA THR A 87 6.000 3.294 -13.280 1.00 0.00 H new ATOM 0 HB THR A 87 4.633 1.218 -13.704 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.202 1.847 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.029 -0.159 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.728 -0.366 -12.224 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.322 0.634 -10.809 1.00 0.00 H new ATOM 1359 N ALA A 88 7.707 1.519 -11.138 1.00 0.00 N ATOM 1360 CA ALA A 88 8.429 1.564 -9.879 1.00 0.00 C ATOM 1361 C ALA A 88 9.270 2.826 -9.805 1.00 0.00 C ATOM 1362 O ALA A 88 9.087 3.663 -8.925 1.00 0.00 O ATOM 1363 CB ALA A 88 9.313 0.335 -9.737 1.00 0.00 C ATOM 0 H ALA A 88 7.891 0.687 -11.699 1.00 0.00 H new ATOM 0 HA ALA A 88 7.709 1.573 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.849 0.380 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.695 -0.563 -9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.029 0.305 -10.558 1.00 0.00 H new ATOM 1369 N VAL A 89 10.186 2.956 -10.751 1.00 0.00 N ATOM 1370 CA VAL A 89 11.059 4.113 -10.813 1.00 0.00 C ATOM 1371 C VAL A 89 10.260 5.398 -11.018 1.00 0.00 C ATOM 1372 O VAL A 89 10.715 6.486 -10.668 1.00 0.00 O ATOM 1373 CB VAL A 89 12.090 3.958 -11.949 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.922 2.704 -11.741 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.402 3.921 -13.307 1.00 0.00 C ATOM 0 H VAL A 89 10.343 2.270 -11.489 1.00 0.00 H new ATOM 0 HA VAL A 89 11.584 4.178 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 89 12.752 4.824 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.645 2.609 -12.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.450 2.771 -10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.269 1.831 -11.733 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.151 3.811 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.713 3.077 -13.343 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.849 4.848 -13.460 1.00 0.00 H new ATOM 1385 N LYS A 90 9.068 5.262 -11.593 1.00 0.00 N ATOM 1386 CA LYS A 90 8.202 6.407 -11.852 1.00 0.00 C ATOM 1387 C LYS A 90 7.431 6.810 -10.596 1.00 0.00 C ATOM 1388 O LYS A 90 7.137 7.987 -10.390 1.00 0.00 O ATOM 1389 CB LYS A 90 7.224 6.080 -12.983 1.00 0.00 C ATOM 1390 CG LYS A 90 6.208 7.178 -13.251 1.00 0.00 C ATOM 1391 CD LYS A 90 5.422 6.910 -14.526 1.00 0.00 C ATOM 1392 CE LYS A 90 6.065 7.577 -15.730 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.722 6.586 -16.626 1.00 0.00 N ATOM 0 H LYS A 90 8.679 4.367 -11.889 1.00 0.00 H new ATOM 0 HA LYS A 90 8.830 7.246 -12.150 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.789 5.890 -13.896 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.694 5.159 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.521 7.254 -12.408 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.720 8.137 -13.332 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.358 5.835 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.402 7.275 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.307 8.126 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.802 8.305 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.149 7.080 -17.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.462 6.079 -16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.014 5.906 -16.969 1.00 0.00 H new ATOM 1407 N ALA A 91 7.103 5.826 -9.766 1.00 0.00 N ATOM 1408 CA ALA A 91 6.360 6.080 -8.537 1.00 0.00 C ATOM 1409 C ALA A 91 7.296 6.308 -7.356 1.00 0.00 C ATOM 1410 O ALA A 91 6.999 7.105 -6.465 1.00 0.00 O ATOM 1411 CB ALA A 91 5.415 4.924 -8.245 1.00 0.00 C ATOM 0 H ALA A 91 7.340 4.846 -9.922 1.00 0.00 H new ATOM 0 HA ALA A 91 5.777 6.990 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.866 5.126 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.711 4.812 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.989 4.005 -8.131 1.00 0.00 H new ATOM 1417 N ILE A 92 8.422 5.605 -7.348 1.00 0.00 N ATOM 1418 CA ILE A 92 9.390 5.738 -6.266 1.00 0.00 C ATOM 1419 C ILE A 92 10.255 6.979 -6.464 1.00 0.00 C ATOM 1420 O ILE A 92 10.393 7.479 -7.580 1.00 0.00 O ATOM 1421 CB ILE A 92 10.286 4.480 -6.134 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.449 4.521 -7.133 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.459 3.214 -6.334 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.286 3.258 -7.142 1.00 0.00 C ATOM 0 H ILE A 92 8.687 4.940 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 92 8.824 5.843 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 92 10.706 4.470 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.052 4.691 -8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.090 5.370 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.103 2.340 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.673 3.170 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.009 3.226 -7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.089 3.359 -7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.713 3.098 -6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.658 2.408 -7.408 1.00 0.00 H new ATOM 1436 N LYS A 93 10.828 7.476 -5.373 1.00 0.00 N ATOM 1437 CA LYS A 93 11.673 8.668 -5.420 1.00 0.00 C ATOM 1438 C LYS A 93 10.837 9.929 -5.646 1.00 0.00 C ATOM 1439 O LYS A 93 11.381 11.019 -5.818 1.00 0.00 O ATOM 1440 CB LYS A 93 12.735 8.534 -6.519 1.00 0.00 C ATOM 1441 CG LYS A 93 14.160 8.555 -5.990 1.00 0.00 C ATOM 1442 CD LYS A 93 15.114 9.193 -6.986 1.00 0.00 C ATOM 1443 CE LYS A 93 16.560 9.065 -6.532 1.00 0.00 C ATOM 1444 NZ LYS A 93 16.817 9.812 -5.270 1.00 0.00 N ATOM 0 H LYS A 93 10.723 7.072 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 93 12.174 8.759 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.571 7.603 -7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.610 9.346 -7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.192 9.105 -5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.484 7.537 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.994 8.720 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.862 10.246 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.802 8.012 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.220 9.438 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.831 9.769 -5.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.531 10.805 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.269 9.385 -4.496 1.00 0.00 H new ATOM 1458 N LYS A 94 9.513 9.778 -5.636 1.00 0.00 N ATOM 1459 CA LYS A 94 8.611 10.906 -5.831 1.00 0.00 C ATOM 1460 C LYS A 94 7.554 10.943 -4.732 1.00 0.00 C ATOM 1461 O LYS A 94 6.452 11.453 -4.932 1.00 0.00 O ATOM 1462 CB LYS A 94 7.939 10.820 -7.199 1.00 0.00 C ATOM 1463 CG LYS A 94 8.595 11.697 -8.254 1.00 0.00 C ATOM 1464 CD LYS A 94 7.701 12.863 -8.642 1.00 0.00 C ATOM 1465 CE LYS A 94 8.382 13.779 -9.645 1.00 0.00 C ATOM 1466 NZ LYS A 94 8.053 15.211 -9.403 1.00 0.00 N ATOM 0 H LYS A 94 9.044 8.884 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 94 9.197 11.824 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.955 9.784 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.892 11.107 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.545 12.075 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.819 11.099 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.771 12.484 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.436 13.431 -7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.462 13.640 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.077 13.502 -10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.537 15.802 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.025 15.349 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.367 15.483 -8.449 1.00 0.00 H new ATOM 1480 N GLY A 95 7.898 10.393 -3.572 1.00 0.00 N ATOM 1481 CA GLY A 95 6.971 10.366 -2.458 1.00 0.00 C ATOM 1482 C GLY A 95 6.796 8.972 -1.885 1.00 0.00 C ATOM 1483 O GLY A 95 6.335 8.813 -0.754 1.00 0.00 O ATOM 0 H GLY A 95 8.805 9.965 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.328 11.035 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.003 10.746 -2.785 1.00 0.00 H new ATOM 1487 N ALA A 96 7.163 7.957 -2.665 1.00 0.00 N ATOM 1488 CA ALA A 96 7.040 6.574 -2.223 1.00 0.00 C ATOM 1489 C ALA A 96 8.254 6.145 -1.405 1.00 0.00 C ATOM 1490 O ALA A 96 9.083 6.972 -1.024 1.00 0.00 O ATOM 1491 CB ALA A 96 6.850 5.649 -3.418 1.00 0.00 C ATOM 0 H ALA A 96 7.547 8.068 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 96 6.162 6.504 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.760 4.620 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.945 5.931 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.709 5.733 -4.084 1.00 0.00 H new ATOM 1497 N TYR A 97 8.345 4.848 -1.131 1.00 0.00 N ATOM 1498 CA TYR A 97 9.448 4.303 -0.349 1.00 0.00 C ATOM 1499 C TYR A 97 10.144 3.175 -1.102 1.00 0.00 C ATOM 1500 O TYR A 97 10.688 2.251 -0.500 1.00 0.00 O ATOM 1501 CB TYR A 97 8.920 3.795 0.988 1.00 0.00 C ATOM 1502 CG TYR A 97 9.988 3.250 1.909 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.887 4.098 2.542 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.093 1.886 2.146 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.861 3.601 3.387 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.063 1.381 2.990 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.945 2.242 3.608 1.00 0.00 C ATOM 1508 OH TYR A 97 12.912 1.744 4.449 1.00 0.00 O ATOM 0 H TYR A 97 7.666 4.153 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 97 10.178 5.093 -0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.401 4.609 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.183 3.014 0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.824 5.163 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.405 1.209 1.662 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.553 4.273 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.130 0.317 3.165 1.00 0.00 H new ATOM 0 HH TYR A 97 12.496 1.439 5.282 1.00 0.00 H new ATOM 1518 N GLU A 98 10.114 3.269 -2.424 1.00 0.00 N ATOM 1519 CA GLU A 98 10.731 2.272 -3.301 1.00 0.00 C ATOM 1520 C GLU A 98 9.821 1.059 -3.472 1.00 0.00 C ATOM 1521 O GLU A 98 9.197 0.594 -2.518 1.00 0.00 O ATOM 1522 CB GLU A 98 12.118 1.854 -2.778 1.00 0.00 C ATOM 1523 CG GLU A 98 12.140 0.537 -2.007 1.00 0.00 C ATOM 1524 CD GLU A 98 13.212 0.508 -0.936 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.675 1.594 -0.529 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.590 -0.601 -0.505 1.00 0.00 O ATOM 0 H GLU A 98 9.663 4.036 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 98 10.870 2.729 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.801 1.775 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.500 2.644 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.166 0.374 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.305 -0.285 -2.704 1.00 0.00 H new ATOM 1533 N PHE A 99 9.747 0.557 -4.699 1.00 0.00 N ATOM 1534 CA PHE A 99 8.912 -0.595 -5.008 1.00 0.00 C ATOM 1535 C PHE A 99 9.427 -1.849 -4.308 1.00 0.00 C ATOM 1536 O PHE A 99 10.607 -2.186 -4.403 1.00 0.00 O ATOM 1537 CB PHE A 99 8.873 -0.821 -6.519 1.00 0.00 C ATOM 1538 CG PHE A 99 7.653 -0.248 -7.189 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.102 0.949 -6.757 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.062 -0.907 -8.255 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.984 1.476 -7.378 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.944 -0.384 -8.879 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.405 0.809 -8.439 1.00 0.00 C ATOM 0 H PHE A 99 10.258 0.932 -5.498 1.00 0.00 H new ATOM 0 HA PHE A 99 7.904 -0.392 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.763 -0.378 -6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.916 -1.892 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.550 1.475 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.479 -1.840 -8.603 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.564 2.409 -7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.493 -0.908 -9.709 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.532 1.220 -8.924 1.00 0.00 H new ATOM 1553 N LEU A 100 8.532 -2.538 -3.609 1.00 0.00 N ATOM 1554 CA LEU A 100 8.892 -3.757 -2.895 1.00 0.00 C ATOM 1555 C LEU A 100 9.147 -4.901 -3.871 1.00 0.00 C ATOM 1556 O LEU A 100 8.251 -5.309 -4.610 1.00 0.00 O ATOM 1557 CB LEU A 100 7.776 -4.144 -1.918 1.00 0.00 C ATOM 1558 CG LEU A 100 8.193 -4.970 -0.688 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.671 -5.336 -0.724 1.00 0.00 C ATOM 1560 CD2 LEU A 100 7.866 -4.214 0.589 1.00 0.00 C ATOM 0 H LEU A 100 7.551 -2.273 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 100 9.809 -3.568 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.297 -3.229 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.022 -4.708 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 100 7.625 -5.900 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.923 -5.918 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.878 -5.926 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.271 -4.426 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.166 -4.809 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.403 -3.266 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.794 -4.024 0.635 1.00 0.00 H new ATOM 1572 N GLU A 101 10.373 -5.415 -3.868 1.00 0.00 N ATOM 1573 CA GLU A 101 10.741 -6.512 -4.754 1.00 0.00 C ATOM 1574 C GLU A 101 10.258 -7.849 -4.198 1.00 0.00 C ATOM 1575 O GLU A 101 9.773 -7.923 -3.069 1.00 0.00 O ATOM 1576 CB GLU A 101 12.257 -6.547 -4.955 1.00 0.00 C ATOM 1577 CG GLU A 101 12.731 -5.721 -6.139 1.00 0.00 C ATOM 1578 CD GLU A 101 13.988 -4.930 -5.835 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.095 -4.396 -4.711 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.866 -4.843 -6.719 1.00 0.00 O ATOM 0 H GLU A 101 11.127 -5.090 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 101 10.258 -6.345 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.744 -6.183 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.573 -7.581 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.918 -6.381 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.939 -5.035 -6.439 1.00 0.00 H new ATOM 1654 N VAL A 106 5.345 -12.781 0.226 1.00 0.00 N ATOM 1655 CA VAL A 106 4.900 -11.622 0.989 1.00 0.00 C ATOM 1656 C VAL A 106 5.669 -11.505 2.301 1.00 0.00 C ATOM 1657 O VAL A 106 5.878 -10.406 2.809 1.00 0.00 O ATOM 1658 CB VAL A 106 3.388 -11.692 1.283 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.049 -12.952 2.064 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.925 -10.448 2.029 1.00 0.00 C ATOM 0 HA VAL A 106 5.098 -10.740 0.380 1.00 0.00 H new ATOM 0 HB VAL A 106 2.857 -11.732 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.977 -12.981 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.335 -13.828 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.591 -12.951 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.855 -10.519 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.463 -10.369 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.124 -9.565 1.422 1.00 0.00 H new ATOM 1670 N GLU A 107 6.091 -12.644 2.849 1.00 0.00 N ATOM 1671 CA GLU A 107 6.840 -12.657 4.100 1.00 0.00 C ATOM 1672 C GLU A 107 7.929 -11.588 4.091 1.00 0.00 C ATOM 1673 O GLU A 107 8.232 -10.986 5.121 1.00 0.00 O ATOM 1674 CB GLU A 107 7.459 -14.033 4.328 1.00 0.00 C ATOM 1675 CG GLU A 107 7.812 -14.299 5.778 1.00 0.00 C ATOM 1676 CD GLU A 107 8.618 -15.570 5.961 1.00 0.00 C ATOM 1677 OE1 GLU A 107 8.183 -16.626 5.455 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.683 -15.510 6.610 1.00 0.00 O ATOM 0 H GLU A 107 5.926 -13.566 2.446 1.00 0.00 H new ATOM 0 HA GLU A 107 6.150 -12.438 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.763 -14.798 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.359 -14.124 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.379 -13.455 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.895 -14.367 6.364 1.00 0.00 H new ATOM 1685 N ARG A 108 8.501 -11.347 2.915 1.00 0.00 N ATOM 1686 CA ARG A 108 9.541 -10.337 2.763 1.00 0.00 C ATOM 1687 C ARG A 108 8.937 -8.945 2.905 1.00 0.00 C ATOM 1688 O ARG A 108 9.520 -8.060 3.531 1.00 0.00 O ATOM 1689 CB ARG A 108 10.228 -10.475 1.403 1.00 0.00 C ATOM 1690 CG ARG A 108 11.646 -9.927 1.380 1.00 0.00 C ATOM 1691 CD ARG A 108 12.607 -10.889 0.699 1.00 0.00 C ATOM 1692 NE ARG A 108 13.882 -10.253 0.377 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.794 -9.917 1.286 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.577 -10.155 2.574 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.927 -9.341 0.908 1.00 0.00 N ATOM 0 H ARG A 108 8.261 -11.838 2.054 1.00 0.00 H new ATOM 0 HA ARG A 108 10.287 -10.484 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.249 -11.528 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.634 -9.956 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.658 -8.970 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.981 -9.739 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 108 12.783 -11.746 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.151 -11.270 -0.215 1.00 0.00 H new ATOM 0 HE ARG A 108 14.085 -10.055 -0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.708 -10.598 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.280 -9.895 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.100 -9.155 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.626 -9.084 1.605 1.00 0.00 H new ATOM 1709 N PHE A 109 7.749 -8.770 2.333 1.00 0.00 N ATOM 1710 CA PHE A 109 7.037 -7.500 2.401 1.00 0.00 C ATOM 1711 C PHE A 109 6.839 -7.090 3.861 1.00 0.00 C ATOM 1712 O PHE A 109 6.801 -5.903 4.188 1.00 0.00 O ATOM 1713 CB PHE A 109 5.686 -7.621 1.678 1.00 0.00 C ATOM 1714 CG PHE A 109 4.670 -6.586 2.079 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.036 -5.261 2.250 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.346 -6.943 2.287 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.102 -4.312 2.620 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.409 -5.999 2.658 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.787 -4.682 2.823 1.00 0.00 C ATOM 0 H PHE A 109 7.257 -9.498 1.814 1.00 0.00 H new ATOM 0 HA PHE A 109 7.626 -6.728 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.855 -7.549 0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.273 -8.611 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.063 -4.966 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.044 -7.972 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.400 -3.282 2.750 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.382 -6.291 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.055 -3.942 3.111 1.00 0.00 H new ATOM 1729 N LEU A 110 6.723 -8.087 4.733 1.00 0.00 N ATOM 1730 CA LEU A 110 6.538 -7.851 6.161 1.00 0.00 C ATOM 1731 C LEU A 110 7.597 -6.897 6.705 1.00 0.00 C ATOM 1732 O LEU A 110 7.299 -6.000 7.493 1.00 0.00 O ATOM 1733 CB LEU A 110 6.602 -9.170 6.918 1.00 0.00 C ATOM 1734 CG LEU A 110 5.533 -9.352 7.997 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.391 -10.819 8.360 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.874 -8.523 9.228 1.00 0.00 C ATOM 0 H LEU A 110 6.754 -9.073 4.473 1.00 0.00 H new ATOM 0 HA LEU A 110 5.559 -7.394 6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.515 -9.987 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.584 -9.257 7.383 1.00 0.00 H new ATOM 0 HG LEU A 110 4.578 -9.003 7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.627 -10.931 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.102 -11.386 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.342 -11.194 8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.104 -8.664 9.986 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.837 -8.842 9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.925 -7.469 8.954 1.00 0.00 H new ATOM 1748 N LEU A 111 8.836 -7.107 6.279 1.00 0.00 N ATOM 1749 CA LEU A 111 9.951 -6.277 6.720 1.00 0.00 C ATOM 1750 C LEU A 111 9.703 -4.808 6.394 1.00 0.00 C ATOM 1751 O LEU A 111 9.689 -3.959 7.286 1.00 0.00 O ATOM 1752 CB LEU A 111 11.249 -6.746 6.066 1.00 0.00 C ATOM 1753 CG LEU A 111 11.808 -8.065 6.606 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.002 -9.243 6.079 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.275 -8.213 6.235 1.00 0.00 C ATOM 0 H LEU A 111 9.095 -7.847 5.627 1.00 0.00 H new ATOM 0 HA LEU A 111 10.040 -6.377 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.080 -6.852 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.003 -5.970 6.194 1.00 0.00 H new ATOM 0 HG LEU A 111 11.727 -8.053 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.414 -10.172 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.964 -9.144 6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.050 -9.259 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.656 -9.156 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.379 -8.202 5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.843 -7.387 6.662 1.00 0.00 H new ATOM 1767 N THR A 112 9.513 -4.513 5.112 1.00 0.00 N ATOM 1768 CA THR A 112 9.271 -3.143 4.664 1.00 0.00 C ATOM 1769 C THR A 112 8.219 -2.454 5.532 1.00 0.00 C ATOM 1770 O THR A 112 8.365 -1.285 5.884 1.00 0.00 O ATOM 1771 CB THR A 112 8.835 -3.136 3.199 1.00 0.00 C ATOM 1772 OG1 THR A 112 9.838 -3.709 2.380 1.00 0.00 O ATOM 1773 CG2 THR A 112 8.544 -1.749 2.664 1.00 0.00 C ATOM 0 H THR A 112 9.522 -5.205 4.362 1.00 0.00 H new ATOM 0 HA THR A 112 10.204 -2.587 4.761 1.00 0.00 H new ATOM 0 HB THR A 112 7.914 -3.718 3.168 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.250 -3.010 1.831 1.00 0.00 H new ATOM 0 HG21 THR A 112 8.240 -1.818 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.742 -1.295 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 112 9.440 -1.134 2.741 1.00 0.00 H new ATOM 1781 N ILE A 113 7.165 -3.186 5.880 1.00 0.00 N ATOM 1782 CA ILE A 113 6.098 -2.640 6.715 1.00 0.00 C ATOM 1783 C ILE A 113 6.677 -2.064 8.006 1.00 0.00 C ATOM 1784 O ILE A 113 6.683 -0.851 8.208 1.00 0.00 O ATOM 1785 CB ILE A 113 5.045 -3.719 7.054 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.225 -4.066 5.810 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.132 -3.254 8.180 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.386 -2.915 5.298 1.00 0.00 C ATOM 0 H ILE A 113 7.026 -4.156 5.598 1.00 0.00 H new ATOM 0 HA ILE A 113 5.609 -1.846 6.152 1.00 0.00 H new ATOM 0 HB ILE A 113 5.568 -4.614 7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.900 -4.393 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.571 -4.908 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.400 -4.031 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.727 -3.053 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.615 -2.344 7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.832 -3.233 4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.686 -2.602 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.035 -2.079 5.037 1.00 0.00 H new ATOM 1800 N LYS A 114 7.180 -2.945 8.866 1.00 0.00 N ATOM 1801 CA LYS A 114 7.782 -2.526 10.127 1.00 0.00 C ATOM 1802 C LYS A 114 8.935 -1.549 9.882 1.00 0.00 C ATOM 1803 O LYS A 114 9.374 -0.849 10.794 1.00 0.00 O ATOM 1804 CB LYS A 114 8.285 -3.745 10.904 1.00 0.00 C ATOM 1805 CG LYS A 114 8.945 -3.396 12.228 1.00 0.00 C ATOM 1806 CD LYS A 114 10.452 -3.250 12.080 1.00 0.00 C ATOM 1807 CE LYS A 114 10.955 -1.964 12.717 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.604 -2.212 14.034 1.00 0.00 N ATOM 0 H LYS A 114 7.182 -3.953 8.712 1.00 0.00 H new ATOM 0 HA LYS A 114 7.019 -2.018 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.447 -4.416 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 114 8.998 -4.290 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.524 -2.466 12.611 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.724 -4.172 12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.948 -4.104 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.717 -3.261 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.667 -1.482 12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.122 -1.274 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.933 -1.310 14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.918 -2.649 14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.415 -2.850 13.907 1.00 0.00 H new ATOM 1822 N HIS A 115 9.402 -1.495 8.636 1.00 0.00 N ATOM 1823 CA HIS A 115 10.481 -0.592 8.259 1.00 0.00 C ATOM 1824 C HIS A 115 9.917 0.751 7.799 1.00 0.00 C ATOM 1825 O HIS A 115 10.607 1.769 7.824 1.00 0.00 O ATOM 1826 CB HIS A 115 11.330 -1.210 7.151 1.00 0.00 C ATOM 1827 CG HIS A 115 12.690 -0.596 7.023 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.978 0.691 7.429 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.846 -1.100 6.531 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.251 0.951 7.191 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.800 -0.119 6.648 1.00 0.00 N ATOM 0 H HIS A 115 9.047 -2.068 7.871 1.00 0.00 H new ATOM 0 HA HIS A 115 11.111 -0.426 9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.439 -2.278 7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.804 -1.108 6.202 1.00 0.00 H new ATOM 0 HD1 HIS A 115 12.312 1.340 7.848 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.991 -2.089 6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.757 1.881 7.405 1.00 0.00 H new ATOM 1840 N ALA A 116 8.654 0.741 7.378 1.00 0.00 N ATOM 1841 CA ALA A 116 7.984 1.948 6.911 1.00 0.00 C ATOM 1842 C ALA A 116 7.408 2.741 8.078 1.00 0.00 C ATOM 1843 O ALA A 116 7.433 3.971 8.080 1.00 0.00 O ATOM 1844 CB ALA A 116 6.883 1.582 5.925 1.00 0.00 C ATOM 0 H ALA A 116 8.073 -0.097 7.352 1.00 0.00 H new ATOM 0 HA ALA A 116 8.719 2.576 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.387 2.489 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.317 1.060 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.156 0.935 6.415 1.00 0.00 H new ATOM 1850 N PHE A 117 6.888 2.024 9.069 1.00 0.00 N ATOM 1851 CA PHE A 117 6.302 2.656 10.246 1.00 0.00 C ATOM 1852 C PHE A 117 7.367 3.373 11.070 1.00 0.00 C ATOM 1853 O PHE A 117 7.104 4.415 11.671 1.00 0.00 O ATOM 1854 CB PHE A 117 5.592 1.611 11.109 1.00 0.00 C ATOM 1855 CG PHE A 117 4.188 1.317 10.664 1.00 0.00 C ATOM 1856 CD1 PHE A 117 3.188 2.266 10.808 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.865 0.091 10.104 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.895 2.000 10.401 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.574 -0.182 9.694 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.588 0.775 9.845 1.00 0.00 C ATOM 0 H PHE A 117 6.860 1.004 9.081 1.00 0.00 H new ATOM 0 HA PHE A 117 5.576 3.394 9.906 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.170 0.687 11.095 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.572 1.958 12.142 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.423 3.226 11.244 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.632 -0.660 9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.126 2.749 10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.336 -1.140 9.257 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.577 0.564 9.528 1.00 0.00 H new ATOM 1870 N GLU A 118 8.569 2.807 11.096 1.00 0.00 N ATOM 1871 CA GLU A 118 9.673 3.391 11.850 1.00 0.00 C ATOM 1872 C GLU A 118 10.343 4.519 11.069 1.00 0.00 C ATOM 1873 O GLU A 118 10.994 5.386 11.653 1.00 0.00 O ATOM 1874 CB GLU A 118 10.704 2.317 12.197 1.00 0.00 C ATOM 1875 CG GLU A 118 10.152 1.205 13.073 1.00 0.00 C ATOM 1876 CD GLU A 118 9.661 1.710 14.416 1.00 0.00 C ATOM 1877 OE1 GLU A 118 8.528 2.232 14.476 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.410 1.586 15.407 1.00 0.00 O ATOM 0 H GLU A 118 8.804 1.945 10.604 1.00 0.00 H new ATOM 0 HA GLU A 118 9.264 3.809 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.090 1.884 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.547 2.785 12.706 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.331 0.711 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.926 0.455 13.232 1.00 0.00 H new