USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=21 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 39 LYS NZ :NH3+ -159:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -127:sc= -0.0347 (180deg=-0.44) USER MOD Set 2.1: A 14 THR OG1 : rot -34:sc= 0.0381 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 58:sc= 1.14 USER MOD Single : A 18 SER OG : rot 120:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -126:sc= 0.073 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.795 F(o=-1.8,f=-0.8) USER MOD Single : A 71 SER OG : rot -41:sc= 0.19 USER MOD Single : A 74 SER OG : rot 118:sc= -0.863 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= 0.167 (180deg=0.132) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.234 (180deg=-0.764) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0102) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= -0.104 (180deg=-0.393) USER MOD Single : A 115 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 0.609 1.752 13.490 1.00 0.00 N ATOM 21 CA LYS A 2 0.061 0.506 12.963 1.00 0.00 C ATOM 22 C LYS A 2 -1.053 0.777 11.955 1.00 0.00 C ATOM 23 O LYS A 2 -1.341 1.928 11.628 1.00 0.00 O ATOM 24 CB LYS A 2 -0.462 -0.372 14.103 1.00 0.00 C ATOM 25 CG LYS A 2 0.577 -0.664 15.173 1.00 0.00 C ATOM 26 CD LYS A 2 1.808 -1.345 14.590 1.00 0.00 C ATOM 27 CE LYS A 2 3.068 -0.530 14.838 1.00 0.00 C ATOM 28 NZ LYS A 2 4.288 -1.384 14.849 1.00 0.00 N ATOM 0 HA LYS A 2 0.864 -0.022 12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.319 0.119 14.565 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.820 -1.315 13.689 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.871 0.267 15.658 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.139 -1.300 15.942 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.921 -2.335 15.033 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.672 -1.489 13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.165 0.232 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.981 -0.008 15.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.125 -0.791 15.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.207 -2.096 15.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.385 -1.862 13.931 1.00 0.00 H new ATOM 42 N ARG A 3 -1.673 -0.296 11.467 1.00 0.00 N ATOM 43 CA ARG A 3 -2.755 -0.206 10.492 1.00 0.00 C ATOM 44 C ARG A 3 -2.216 0.118 9.102 1.00 0.00 C ATOM 45 O ARG A 3 -1.816 1.247 8.827 1.00 0.00 O ATOM 46 CB ARG A 3 -3.783 0.844 10.913 1.00 0.00 C ATOM 47 CG ARG A 3 -4.354 0.615 12.303 1.00 0.00 C ATOM 48 CD ARG A 3 -3.663 1.486 13.337 1.00 0.00 C ATOM 49 NE ARG A 3 -4.548 1.820 14.451 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.636 2.577 14.333 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.978 3.080 13.154 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.384 2.831 15.397 1.00 0.00 N ATOM 0 H ARG A 3 -1.439 -1.251 11.737 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.245 -1.179 10.454 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.318 1.829 10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.599 0.851 10.191 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.422 0.831 12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.242 -0.434 12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.782 0.968 13.717 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.314 2.404 12.863 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.318 1.451 15.374 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.406 2.887 12.332 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.813 3.660 13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.126 2.446 16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.218 3.411 15.307 1.00 0.00 H new ATOM 66 N VAL A 4 -2.210 -0.885 8.230 1.00 0.00 N ATOM 67 CA VAL A 4 -1.722 -0.720 6.864 1.00 0.00 C ATOM 68 C VAL A 4 -2.871 -0.857 5.861 1.00 0.00 C ATOM 69 O VAL A 4 -3.932 -1.377 6.196 1.00 0.00 O ATOM 70 CB VAL A 4 -0.628 -1.761 6.542 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.050 -1.533 5.154 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.471 -1.727 7.599 1.00 0.00 C ATOM 0 H VAL A 4 -2.539 -1.826 8.446 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.293 0.279 6.782 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.086 -2.750 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.718 -2.280 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.843 -1.619 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.390 -0.537 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.233 -2.467 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.923 -0.735 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.044 -1.954 8.576 1.00 0.00 H new ATOM 82 N LEU A 5 -2.663 -0.386 4.633 1.00 0.00 N ATOM 83 CA LEU A 5 -3.700 -0.471 3.607 1.00 0.00 C ATOM 84 C LEU A 5 -3.227 -1.287 2.408 1.00 0.00 C ATOM 85 O LEU A 5 -2.081 -1.167 1.974 1.00 0.00 O ATOM 86 CB LEU A 5 -4.123 0.926 3.145 1.00 0.00 C ATOM 87 CG LEU A 5 -5.217 0.943 2.074 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.513 0.362 2.623 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.442 2.356 1.558 1.00 0.00 C ATOM 0 H LEU A 5 -1.795 0.054 4.326 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.558 -0.974 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.472 1.489 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.247 1.446 2.758 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.888 0.323 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.278 0.383 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.345 -0.667 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.845 0.954 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.223 2.346 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.747 3.000 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.518 2.736 1.123 1.00 0.00 H new ATOM 101 N VAL A 6 -4.120 -2.118 1.879 1.00 0.00 N ATOM 102 CA VAL A 6 -3.801 -2.959 0.730 1.00 0.00 C ATOM 103 C VAL A 6 -4.738 -2.670 -0.441 1.00 0.00 C ATOM 104 O VAL A 6 -5.946 -2.883 -0.349 1.00 0.00 O ATOM 105 CB VAL A 6 -3.897 -4.457 1.081 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.273 -5.305 -0.017 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.237 -4.739 2.421 1.00 0.00 C ATOM 0 H VAL A 6 -5.072 -2.227 2.228 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.776 -2.723 0.445 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.951 -4.723 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.350 -6.359 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.798 -5.128 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.223 -5.036 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.316 -5.802 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.186 -4.455 2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.735 -4.163 3.200 1.00 0.00 H new ATOM 117 N VAL A 7 -4.172 -2.193 -1.544 1.00 0.00 N ATOM 118 CA VAL A 7 -4.960 -1.887 -2.733 1.00 0.00 C ATOM 119 C VAL A 7 -4.733 -2.947 -3.808 1.00 0.00 C ATOM 120 O VAL A 7 -3.642 -3.052 -4.369 1.00 0.00 O ATOM 121 CB VAL A 7 -4.607 -0.491 -3.293 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.453 -0.153 -4.514 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.773 0.568 -2.214 1.00 0.00 C ATOM 0 H VAL A 7 -3.173 -2.010 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.011 -1.886 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.564 -0.508 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.180 0.835 -4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.278 -0.893 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.508 -0.159 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.521 1.547 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.806 0.575 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.111 0.342 -1.378 1.00 0.00 H new ATOM 133 N ASP A 8 -5.767 -3.739 -4.084 1.00 0.00 N ATOM 134 CA ASP A 8 -5.673 -4.798 -5.084 1.00 0.00 C ATOM 135 C ASP A 8 -7.045 -5.116 -5.670 1.00 0.00 C ATOM 136 O ASP A 8 -8.073 -4.844 -5.051 1.00 0.00 O ATOM 137 CB ASP A 8 -5.064 -6.057 -4.460 1.00 0.00 C ATOM 138 CG ASP A 8 -4.943 -7.199 -5.451 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.759 -6.921 -6.656 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.033 -8.368 -5.023 1.00 0.00 O ATOM 0 H ASP A 8 -6.677 -3.667 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.028 -4.451 -5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.077 -5.820 -4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.679 -6.375 -3.618 1.00 0.00 H new ATOM 145 N ASP A 9 -7.055 -5.688 -6.870 1.00 0.00 N ATOM 146 CA ASP A 9 -8.303 -6.034 -7.540 1.00 0.00 C ATOM 147 C ASP A 9 -8.836 -7.383 -7.064 1.00 0.00 C ATOM 148 O ASP A 9 -9.856 -7.448 -6.379 1.00 0.00 O ATOM 149 CB ASP A 9 -8.102 -6.055 -9.056 1.00 0.00 C ATOM 150 CG ASP A 9 -9.413 -5.971 -9.813 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.299 -6.815 -9.563 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.555 -5.061 -10.657 1.00 0.00 O ATOM 0 H ASP A 9 -6.214 -5.921 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.040 -5.272 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.463 -5.221 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.580 -6.970 -9.338 1.00 0.00 H new ATOM 157 N GLU A 10 -8.149 -8.457 -7.438 1.00 0.00 N ATOM 158 CA GLU A 10 -8.565 -9.801 -7.051 1.00 0.00 C ATOM 159 C GLU A 10 -8.039 -10.165 -5.667 1.00 0.00 C ATOM 160 O GLU A 10 -7.319 -9.387 -5.040 1.00 0.00 O ATOM 161 CB GLU A 10 -8.078 -10.824 -8.078 1.00 0.00 C ATOM 162 CG GLU A 10 -8.722 -10.667 -9.447 1.00 0.00 C ATOM 163 CD GLU A 10 -9.823 -11.680 -9.691 1.00 0.00 C ATOM 164 OE1 GLU A 10 -10.961 -11.443 -9.235 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.548 -12.712 -10.341 1.00 0.00 O ATOM 0 H GLU A 10 -7.303 -8.424 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.654 -9.816 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.997 -10.735 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.281 -11.827 -7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.132 -9.661 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.959 -10.772 -10.218 1.00 0.00 H new ATOM 217 N THR A 14 -4.591 -10.141 -0.737 1.00 0.00 N ATOM 218 CA THR A 14 -5.483 -9.800 0.365 1.00 0.00 C ATOM 219 C THR A 14 -5.721 -11.004 1.272 1.00 0.00 C ATOM 220 O THR A 14 -5.677 -10.888 2.496 1.00 0.00 O ATOM 221 CB THR A 14 -6.817 -9.281 -0.176 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.462 -10.272 -0.957 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.673 -8.042 -1.033 1.00 0.00 C ATOM 0 HA THR A 14 -5.006 -9.017 0.955 1.00 0.00 H new ATOM 0 HB THR A 14 -7.407 -9.028 0.705 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.789 -10.801 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.655 -7.726 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.224 -7.242 -0.444 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.036 -8.264 -1.889 1.00 0.00 H new ATOM 231 N SER A 15 -5.968 -12.162 0.664 1.00 0.00 N ATOM 232 CA SER A 15 -6.210 -13.387 1.420 1.00 0.00 C ATOM 233 C SER A 15 -4.896 -14.031 1.851 1.00 0.00 C ATOM 234 O SER A 15 -4.609 -15.180 1.510 1.00 0.00 O ATOM 235 CB SER A 15 -7.019 -14.373 0.586 1.00 0.00 C ATOM 236 OG SER A 15 -8.302 -13.856 0.280 1.00 0.00 O ATOM 0 H SER A 15 -6.006 -12.277 -0.349 1.00 0.00 H new ATOM 0 HA SER A 15 -6.777 -13.124 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.485 -14.596 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.123 -15.312 1.129 1.00 0.00 H new ATOM 0 HG SER A 15 -8.798 -14.509 -0.257 1.00 0.00 H new ATOM 242 N SER A 16 -4.104 -13.279 2.600 1.00 0.00 N ATOM 243 CA SER A 16 -2.813 -13.752 3.091 1.00 0.00 C ATOM 244 C SER A 16 -2.031 -12.605 3.721 1.00 0.00 C ATOM 245 O SER A 16 -1.637 -12.669 4.885 1.00 0.00 O ATOM 246 CB SER A 16 -1.998 -14.374 1.959 1.00 0.00 C ATOM 247 OG SER A 16 -2.228 -15.769 1.869 1.00 0.00 O ATOM 0 H SER A 16 -4.334 -12.327 2.885 1.00 0.00 H new ATOM 0 HA SER A 16 -2.998 -14.514 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.260 -13.898 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.937 -14.188 2.126 1.00 0.00 H new ATOM 0 HG SER A 16 -3.184 -15.935 1.728 1.00 0.00 H new ATOM 253 N LEU A 17 -1.818 -11.553 2.938 1.00 0.00 N ATOM 254 CA LEU A 17 -1.093 -10.378 3.405 1.00 0.00 C ATOM 255 C LEU A 17 -1.803 -9.757 4.604 1.00 0.00 C ATOM 256 O LEU A 17 -1.211 -9.595 5.671 1.00 0.00 O ATOM 257 CB LEU A 17 -0.966 -9.364 2.259 1.00 0.00 C ATOM 258 CG LEU A 17 -0.343 -8.007 2.614 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.411 -7.041 3.097 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.767 -8.163 3.648 1.00 0.00 C ATOM 0 H LEU A 17 -2.139 -11.491 1.972 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.094 -10.675 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.370 -9.817 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.960 -9.187 1.848 1.00 0.00 H new ATOM 0 HG LEU A 17 0.107 -7.593 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.951 -6.084 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.152 -6.895 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.897 -7.449 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.189 -7.185 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.358 -8.606 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.548 -8.810 3.249 1.00 0.00 H new ATOM 272 N SER A 18 -3.077 -9.421 4.431 1.00 0.00 N ATOM 273 CA SER A 18 -3.859 -8.831 5.512 1.00 0.00 C ATOM 274 C SER A 18 -3.814 -9.721 6.749 1.00 0.00 C ATOM 275 O SER A 18 -3.671 -9.238 7.872 1.00 0.00 O ATOM 276 CB SER A 18 -5.309 -8.621 5.069 1.00 0.00 C ATOM 277 OG SER A 18 -5.376 -7.804 3.912 1.00 0.00 O ATOM 0 H SER A 18 -3.588 -9.546 3.557 1.00 0.00 H new ATOM 0 HA SER A 18 -3.425 -7.863 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.773 -9.586 4.864 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.876 -8.159 5.877 1.00 0.00 H new ATOM 0 HG SER A 18 -5.803 -8.302 3.184 1.00 0.00 H new ATOM 283 N ALA A 19 -3.924 -11.028 6.531 1.00 0.00 N ATOM 284 CA ALA A 19 -3.882 -11.993 7.623 1.00 0.00 C ATOM 285 C ALA A 19 -2.520 -11.967 8.305 1.00 0.00 C ATOM 286 O ALA A 19 -2.421 -12.068 9.527 1.00 0.00 O ATOM 287 CB ALA A 19 -4.187 -13.388 7.104 1.00 0.00 C ATOM 0 H ALA A 19 -4.043 -11.443 5.607 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.640 -11.720 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.152 -14.099 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.181 -13.400 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.447 -13.667 6.354 1.00 0.00 H new ATOM 293 N ILE A 20 -1.474 -11.825 7.499 1.00 0.00 N ATOM 294 CA ILE A 20 -0.111 -11.776 8.013 1.00 0.00 C ATOM 295 C ILE A 20 0.045 -10.641 9.018 1.00 0.00 C ATOM 296 O ILE A 20 0.301 -10.875 10.198 1.00 0.00 O ATOM 297 CB ILE A 20 0.909 -11.600 6.863 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.105 -12.920 6.124 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.241 -11.081 7.388 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.697 -12.752 4.743 1.00 0.00 C ATOM 0 H ILE A 20 -1.544 -11.742 6.485 1.00 0.00 H new ATOM 0 HA ILE A 20 0.088 -12.723 8.514 1.00 0.00 H new ATOM 0 HB ILE A 20 0.512 -10.863 6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.756 -13.565 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.144 -13.427 6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.939 -10.967 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.090 -10.116 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.648 -11.789 8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.809 -13.729 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.036 -12.132 4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.673 -12.273 4.821 1.00 0.00 H new ATOM 312 N LEU A 21 -0.117 -9.411 8.544 1.00 0.00 N ATOM 313 CA LEU A 21 -0.004 -8.240 9.405 1.00 0.00 C ATOM 314 C LEU A 21 -0.814 -8.436 10.683 1.00 0.00 C ATOM 315 O LEU A 21 -0.405 -8.010 11.764 1.00 0.00 O ATOM 316 CB LEU A 21 -0.488 -7.005 8.659 1.00 0.00 C ATOM 317 CG LEU A 21 0.171 -6.797 7.300 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.875 -6.545 6.226 1.00 0.00 C ATOM 319 CD2 LEU A 21 1.172 -5.655 7.368 1.00 0.00 C ATOM 0 H LEU A 21 -0.327 -9.199 7.569 1.00 0.00 H new ATOM 0 HA LEU A 21 1.042 -8.104 9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.567 -7.078 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.305 -6.126 9.277 1.00 0.00 H new ATOM 0 HG LEU A 21 0.709 -7.706 7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.382 -6.399 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.546 -7.402 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.448 -5.653 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.635 -5.518 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.659 -4.738 7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.941 -5.889 8.104 1.00 0.00 H new ATOM 331 N GLU A 22 -1.962 -9.095 10.549 1.00 0.00 N ATOM 332 CA GLU A 22 -2.827 -9.360 11.691 1.00 0.00 C ATOM 333 C GLU A 22 -2.120 -10.252 12.704 1.00 0.00 C ATOM 334 O GLU A 22 -2.377 -10.165 13.905 1.00 0.00 O ATOM 335 CB GLU A 22 -4.130 -10.015 11.236 1.00 0.00 C ATOM 336 CG GLU A 22 -5.115 -9.041 10.610 1.00 0.00 C ATOM 337 CD GLU A 22 -6.385 -9.719 10.134 1.00 0.00 C ATOM 338 OE1 GLU A 22 -6.316 -10.482 9.147 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.447 -9.489 10.748 1.00 0.00 O ATOM 0 H GLU A 22 -2.313 -9.454 9.661 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.061 -8.408 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.900 -10.800 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.603 -10.497 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.370 -8.270 11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.638 -8.539 9.768 1.00 0.00 H new ATOM 346 N GLU A 23 -1.216 -11.100 12.218 1.00 0.00 N ATOM 347 CA GLU A 23 -0.465 -11.987 13.090 1.00 0.00 C ATOM 348 C GLU A 23 0.634 -11.203 13.793 1.00 0.00 C ATOM 349 O GLU A 23 0.960 -11.464 14.951 1.00 0.00 O ATOM 350 CB GLU A 23 0.129 -13.143 12.279 1.00 0.00 C ATOM 351 CG GLU A 23 1.232 -13.898 13.002 1.00 0.00 C ATOM 352 CD GLU A 23 1.079 -15.402 12.894 1.00 0.00 C ATOM 353 OE1 GLU A 23 1.128 -15.924 11.760 1.00 0.00 O ATOM 354 OE2 GLU A 23 0.913 -16.060 13.943 1.00 0.00 O ATOM 0 H GLU A 23 -0.989 -11.188 11.227 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.133 -12.405 13.843 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.668 -13.841 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.524 -12.751 11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.198 -13.605 12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.234 -13.612 14.054 1.00 0.00 H new ATOM 361 N GLU A 24 1.196 -10.233 13.079 1.00 0.00 N ATOM 362 CA GLU A 24 2.255 -9.395 13.625 1.00 0.00 C ATOM 363 C GLU A 24 1.688 -8.334 14.569 1.00 0.00 C ATOM 364 O GLU A 24 2.439 -7.628 15.242 1.00 0.00 O ATOM 365 CB GLU A 24 3.030 -8.718 12.495 1.00 0.00 C ATOM 366 CG GLU A 24 3.743 -9.696 11.577 1.00 0.00 C ATOM 367 CD GLU A 24 5.165 -9.980 12.020 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.788 -9.082 12.625 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.655 -11.098 11.763 1.00 0.00 O ATOM 0 H GLU A 24 0.934 -10.008 12.119 1.00 0.00 H new ATOM 0 HA GLU A 24 2.930 -10.036 14.192 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.341 -8.114 11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.763 -8.036 12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.183 -10.631 11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.755 -9.295 10.564 1.00 0.00 H new ATOM 376 N GLY A 25 0.362 -8.218 14.609 1.00 0.00 N ATOM 377 CA GLY A 25 -0.271 -7.236 15.464 1.00 0.00 C ATOM 378 C GLY A 25 -0.559 -5.945 14.727 1.00 0.00 C ATOM 379 O GLY A 25 -0.178 -4.864 15.176 1.00 0.00 O ATOM 0 H GLY A 25 -0.283 -8.789 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.202 -7.644 15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.373 -7.030 16.319 1.00 0.00 H new ATOM 383 N TYR A 26 -1.224 -6.062 13.583 1.00 0.00 N ATOM 384 CA TYR A 26 -1.555 -4.903 12.765 1.00 0.00 C ATOM 385 C TYR A 26 -3.055 -4.818 12.504 1.00 0.00 C ATOM 386 O TYR A 26 -3.837 -5.630 12.999 1.00 0.00 O ATOM 387 CB TYR A 26 -0.828 -4.981 11.422 1.00 0.00 C ATOM 388 CG TYR A 26 0.644 -4.650 11.486 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.074 -3.350 11.715 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.603 -5.636 11.300 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.420 -3.042 11.760 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.950 -5.338 11.342 1.00 0.00 C ATOM 393 CZ TYR A 26 3.354 -4.039 11.573 1.00 0.00 C ATOM 394 OH TYR A 26 4.696 -3.737 11.615 1.00 0.00 O ATOM 0 H TYR A 26 -1.545 -6.952 13.201 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.240 -4.015 13.313 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.944 -5.987 11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.311 -4.299 10.722 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.345 -2.567 11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.290 -6.654 11.119 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.739 -2.026 11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.683 -6.117 11.195 1.00 0.00 H new ATOM 0 HH TYR A 26 5.220 -4.552 11.465 1.00 0.00 H new ATOM 404 N HIS A 27 -3.433 -3.837 11.695 1.00 0.00 N ATOM 405 CA HIS A 27 -4.821 -3.628 11.316 1.00 0.00 C ATOM 406 C HIS A 27 -4.882 -3.242 9.843 1.00 0.00 C ATOM 407 O HIS A 27 -5.018 -2.067 9.501 1.00 0.00 O ATOM 408 CB HIS A 27 -5.459 -2.539 12.182 1.00 0.00 C ATOM 409 CG HIS A 27 -6.818 -2.901 12.695 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.978 -2.666 11.986 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.201 -3.485 13.855 1.00 0.00 C ATOM 412 CE1 HIS A 27 -9.014 -3.089 12.688 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.570 -3.590 13.826 1.00 0.00 N ATOM 0 H HIS A 27 -2.785 -3.165 11.284 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.380 -4.550 11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.804 -2.329 13.028 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.532 -1.620 11.600 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.551 -3.808 14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.049 -3.034 12.383 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.150 -3.990 14.564 1.00 0.00 H new ATOM 422 N PRO A 28 -4.747 -4.234 8.949 1.00 0.00 N ATOM 423 CA PRO A 28 -4.750 -4.000 7.511 1.00 0.00 C ATOM 424 C PRO A 28 -6.146 -3.926 6.908 1.00 0.00 C ATOM 425 O PRO A 28 -7.078 -4.579 7.376 1.00 0.00 O ATOM 426 CB PRO A 28 -3.990 -5.207 6.968 1.00 0.00 C ATOM 427 CG PRO A 28 -4.259 -6.305 7.942 1.00 0.00 C ATOM 428 CD PRO A 28 -4.553 -5.657 9.275 1.00 0.00 C ATOM 0 HA PRO A 28 -4.305 -3.037 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.335 -5.473 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.923 -5.000 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.103 -6.912 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.399 -6.970 8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.442 -6.084 9.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.730 -5.797 9.976 1.00 0.00 H new ATOM 436 N ASP A 29 -6.268 -3.129 5.854 1.00 0.00 N ATOM 437 CA ASP A 29 -7.530 -2.957 5.152 1.00 0.00 C ATOM 438 C ASP A 29 -7.308 -3.102 3.654 1.00 0.00 C ATOM 439 O ASP A 29 -6.365 -2.535 3.105 1.00 0.00 O ATOM 440 CB ASP A 29 -8.137 -1.594 5.467 1.00 0.00 C ATOM 441 CG ASP A 29 -9.613 -1.680 5.806 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.967 -2.454 6.720 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.413 -0.975 5.158 1.00 0.00 O ATOM 0 H ASP A 29 -5.497 -2.586 5.464 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.226 -3.726 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.601 -1.146 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.002 -0.933 4.611 1.00 0.00 H new ATOM 448 N THR A 30 -8.169 -3.862 2.992 1.00 0.00 N ATOM 449 CA THR A 30 -8.036 -4.068 1.558 1.00 0.00 C ATOM 450 C THR A 30 -8.981 -3.160 0.782 1.00 0.00 C ATOM 451 O THR A 30 -10.076 -2.841 1.247 1.00 0.00 O ATOM 452 CB THR A 30 -8.298 -5.529 1.195 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.652 -5.871 1.434 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.433 -6.500 1.970 1.00 0.00 C ATOM 0 H THR A 30 -8.960 -4.342 3.421 1.00 0.00 H new ATOM 0 HA THR A 30 -7.012 -3.815 1.281 1.00 0.00 H new ATOM 0 HB THR A 30 -8.053 -5.614 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.800 -6.810 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.668 -7.520 1.665 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.382 -6.294 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.625 -6.387 3.037 1.00 0.00 H new ATOM 462 N ALA A 31 -8.545 -2.746 -0.400 1.00 0.00 N ATOM 463 CA ALA A 31 -9.341 -1.872 -1.249 1.00 0.00 C ATOM 464 C ALA A 31 -9.085 -2.172 -2.719 1.00 0.00 C ATOM 465 O ALA A 31 -7.969 -2.513 -3.104 1.00 0.00 O ATOM 466 CB ALA A 31 -9.019 -0.417 -0.948 1.00 0.00 C ATOM 0 H ALA A 31 -7.640 -3.003 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.395 -2.053 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.620 0.229 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.245 -0.203 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.961 -0.232 -1.136 1.00 0.00 H new ATOM 472 N LYS A 32 -10.118 -2.033 -3.542 1.00 0.00 N ATOM 473 CA LYS A 32 -9.974 -2.283 -4.969 1.00 0.00 C ATOM 474 C LYS A 32 -8.979 -1.292 -5.566 1.00 0.00 C ATOM 475 O LYS A 32 -8.145 -0.742 -4.848 1.00 0.00 O ATOM 476 CB LYS A 32 -11.330 -2.183 -5.673 1.00 0.00 C ATOM 477 CG LYS A 32 -12.401 -3.055 -5.040 1.00 0.00 C ATOM 478 CD LYS A 32 -13.643 -3.139 -5.916 1.00 0.00 C ATOM 479 CE LYS A 32 -14.121 -4.575 -6.071 1.00 0.00 C ATOM 480 NZ LYS A 32 -14.855 -4.781 -7.350 1.00 0.00 N ATOM 0 H LYS A 32 -11.054 -1.752 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.595 -3.294 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.662 -1.145 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.211 -2.467 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.004 -4.056 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.670 -2.652 -4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.439 -2.535 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.426 -2.719 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.265 -5.249 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.770 -4.834 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.164 -5.772 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.686 -4.157 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.228 -4.559 -8.150 1.00 0.00 H new ATOM 494 N THR A 33 -9.039 -1.082 -6.877 1.00 0.00 N ATOM 495 CA THR A 33 -8.109 -0.179 -7.544 1.00 0.00 C ATOM 496 C THR A 33 -8.005 1.160 -6.824 1.00 0.00 C ATOM 497 O THR A 33 -8.737 1.432 -5.872 1.00 0.00 O ATOM 498 CB THR A 33 -8.543 0.047 -8.993 1.00 0.00 C ATOM 499 OG1 THR A 33 -9.909 0.415 -9.056 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.353 -1.172 -9.871 1.00 0.00 C ATOM 0 H THR A 33 -9.719 -1.523 -7.496 1.00 0.00 H new ATOM 0 HA THR A 33 -7.125 -0.648 -7.524 1.00 0.00 H new ATOM 0 HB THR A 33 -7.902 0.846 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.167 0.557 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.680 -0.944 -10.886 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.299 -1.451 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.943 -2.000 -9.477 1.00 0.00 H new ATOM 508 N LEU A 34 -7.069 1.979 -7.284 1.00 0.00 N ATOM 509 CA LEU A 34 -6.820 3.290 -6.697 1.00 0.00 C ATOM 510 C LEU A 34 -8.115 4.055 -6.439 1.00 0.00 C ATOM 511 O LEU A 34 -8.198 4.843 -5.497 1.00 0.00 O ATOM 512 CB LEU A 34 -5.888 4.091 -7.604 1.00 0.00 C ATOM 513 CG LEU A 34 -4.575 3.379 -7.947 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.997 3.906 -9.252 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.577 3.533 -6.807 1.00 0.00 C ATOM 0 H LEU A 34 -6.462 1.755 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.341 3.142 -5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.414 4.324 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.657 5.040 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.783 2.317 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.065 3.385 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.709 3.737 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.802 4.974 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.649 3.022 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.375 4.591 -6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.992 3.096 -5.899 1.00 0.00 H new ATOM 527 N ARG A 35 -9.129 3.812 -7.261 1.00 0.00 N ATOM 528 CA ARG A 35 -10.414 4.477 -7.085 1.00 0.00 C ATOM 529 C ARG A 35 -10.985 4.138 -5.712 1.00 0.00 C ATOM 530 O ARG A 35 -11.172 5.016 -4.862 1.00 0.00 O ATOM 531 CB ARG A 35 -11.393 4.052 -8.183 1.00 0.00 C ATOM 532 CG ARG A 35 -11.056 4.625 -9.551 1.00 0.00 C ATOM 533 CD ARG A 35 -11.778 5.939 -9.797 1.00 0.00 C ATOM 534 NE ARG A 35 -11.436 6.517 -11.094 1.00 0.00 N ATOM 535 CZ ARG A 35 -10.309 7.185 -11.334 1.00 0.00 C ATOM 536 NH1 ARG A 35 -9.415 7.360 -10.369 1.00 0.00 N ATOM 537 NH2 ARG A 35 -10.076 7.677 -12.543 1.00 0.00 N ATOM 0 H ARG A 35 -9.088 3.166 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.265 5.554 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.405 2.964 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.399 4.366 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.980 4.780 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.330 3.908 -10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.855 5.776 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.524 6.646 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.099 6.402 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.589 6.982 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.554 7.872 -10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.760 7.544 -13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.213 8.189 -12.728 1.00 0.00 H new ATOM 551 N GLU A 36 -11.235 2.851 -5.493 1.00 0.00 N ATOM 552 CA GLU A 36 -11.757 2.387 -4.217 1.00 0.00 C ATOM 553 C GLU A 36 -10.799 2.768 -3.097 1.00 0.00 C ATOM 554 O GLU A 36 -11.222 3.157 -2.009 1.00 0.00 O ATOM 555 CB GLU A 36 -11.968 0.873 -4.242 1.00 0.00 C ATOM 556 CG GLU A 36 -12.923 0.373 -3.171 1.00 0.00 C ATOM 557 CD GLU A 36 -14.372 0.683 -3.493 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.785 1.848 -3.313 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.094 -0.240 -3.928 1.00 0.00 O ATOM 0 H GLU A 36 -11.084 2.114 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.721 2.864 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.350 0.584 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.005 0.378 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.802 -0.704 -3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.662 0.827 -2.215 1.00 0.00 H new ATOM 566 N ALA A 37 -9.499 2.672 -3.377 1.00 0.00 N ATOM 567 CA ALA A 37 -8.486 3.030 -2.391 1.00 0.00 C ATOM 568 C ALA A 37 -8.653 4.478 -1.964 1.00 0.00 C ATOM 569 O ALA A 37 -8.699 4.779 -0.772 1.00 0.00 O ATOM 570 CB ALA A 37 -7.087 2.804 -2.944 1.00 0.00 C ATOM 0 H ALA A 37 -9.127 2.352 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.618 2.388 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.349 3.078 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.965 1.753 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.943 3.419 -3.833 1.00 0.00 H new ATOM 576 N GLU A 38 -8.756 5.375 -2.944 1.00 0.00 N ATOM 577 CA GLU A 38 -8.932 6.793 -2.657 1.00 0.00 C ATOM 578 C GLU A 38 -10.013 6.979 -1.611 1.00 0.00 C ATOM 579 O GLU A 38 -9.815 7.679 -0.619 1.00 0.00 O ATOM 580 CB GLU A 38 -9.290 7.562 -3.925 1.00 0.00 C ATOM 581 CG GLU A 38 -8.079 8.010 -4.727 1.00 0.00 C ATOM 582 CD GLU A 38 -8.447 8.932 -5.873 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.430 9.690 -5.732 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.753 8.896 -6.910 1.00 0.00 O ATOM 0 H GLU A 38 -8.721 5.144 -3.937 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.991 7.187 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.921 6.934 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.880 8.437 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.378 8.520 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.565 7.134 -5.121 1.00 0.00 H new ATOM 591 N LYS A 39 -11.151 6.326 -1.819 1.00 0.00 N ATOM 592 CA LYS A 39 -12.241 6.407 -0.861 1.00 0.00 C ATOM 593 C LYS A 39 -11.753 5.941 0.507 1.00 0.00 C ATOM 594 O LYS A 39 -11.854 6.665 1.498 1.00 0.00 O ATOM 595 CB LYS A 39 -13.423 5.552 -1.320 1.00 0.00 C ATOM 596 CG LYS A 39 -14.606 5.584 -0.366 1.00 0.00 C ATOM 597 CD LYS A 39 -14.547 4.437 0.632 1.00 0.00 C ATOM 598 CE LYS A 39 -15.812 4.364 1.472 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.716 3.270 1.020 1.00 0.00 N ATOM 0 H LYS A 39 -11.339 5.742 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.575 7.442 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.749 5.896 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.090 4.521 -1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.618 6.533 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.535 5.527 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.408 3.496 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.683 4.565 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.545 4.206 2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.339 5.316 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.684 3.460 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.709 3.220 -0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.388 2.364 1.412 1.00 0.00 H new ATOM 613 N LYS A 40 -11.218 4.722 0.547 1.00 0.00 N ATOM 614 CA LYS A 40 -10.706 4.150 1.786 1.00 0.00 C ATOM 615 C LYS A 40 -9.626 5.039 2.399 1.00 0.00 C ATOM 616 O LYS A 40 -9.415 5.022 3.612 1.00 0.00 O ATOM 617 CB LYS A 40 -10.147 2.750 1.532 1.00 0.00 C ATOM 618 CG LYS A 40 -11.176 1.775 0.980 1.00 0.00 C ATOM 619 CD LYS A 40 -11.542 0.708 2.001 1.00 0.00 C ATOM 620 CE LYS A 40 -13.036 0.424 2.002 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.821 1.586 2.504 1.00 0.00 N ATOM 0 H LYS A 40 -11.129 4.113 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.534 4.083 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.314 2.822 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.746 2.353 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.073 2.320 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.782 1.300 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.997 -0.210 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.232 1.032 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.359 0.177 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.240 -0.448 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.450 1.274 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.172 2.315 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.390 1.981 1.729 1.00 0.00 H new ATOM 635 N ILE A 41 -8.943 5.815 1.560 1.00 0.00 N ATOM 636 CA ILE A 41 -7.889 6.704 2.038 1.00 0.00 C ATOM 637 C ILE A 41 -8.402 8.129 2.235 1.00 0.00 C ATOM 638 O ILE A 41 -7.687 8.986 2.755 1.00 0.00 O ATOM 639 CB ILE A 41 -6.697 6.736 1.068 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.247 5.315 0.721 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.544 7.529 1.667 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.626 5.196 -0.654 1.00 0.00 C ATOM 0 H ILE A 41 -9.100 5.846 0.553 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.562 6.305 2.998 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.015 7.229 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.526 4.979 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.105 4.646 0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.709 7.541 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.868 8.551 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.228 7.063 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.331 4.162 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.351 5.501 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.748 5.839 -0.714 1.00 0.00 H new ATOM 654 N LYS A 42 -9.642 8.380 1.822 1.00 0.00 N ATOM 655 CA LYS A 42 -10.238 9.702 1.964 1.00 0.00 C ATOM 656 C LYS A 42 -11.098 9.776 3.220 1.00 0.00 C ATOM 657 O LYS A 42 -12.025 10.582 3.304 1.00 0.00 O ATOM 658 CB LYS A 42 -11.077 10.040 0.735 1.00 0.00 C ATOM 659 CG LYS A 42 -10.334 10.879 -0.293 1.00 0.00 C ATOM 660 CD LYS A 42 -10.796 12.328 -0.272 1.00 0.00 C ATOM 661 CE LYS A 42 -10.944 12.886 -1.678 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.315 12.671 -2.219 1.00 0.00 N ATOM 0 H LYS A 42 -10.251 7.686 1.388 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.432 10.430 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.409 9.114 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.972 10.576 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.263 10.835 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.491 10.461 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.750 12.399 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.080 12.931 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.720 13.953 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.216 12.411 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.375 13.066 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.520 11.652 -2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.008 13.145 -1.606 1.00 0.00 H new ATOM 676 N GLU A 43 -10.784 8.930 4.196 1.00 0.00 N ATOM 677 CA GLU A 43 -11.527 8.900 5.449 1.00 0.00 C ATOM 678 C GLU A 43 -10.589 8.700 6.633 1.00 0.00 C ATOM 679 O GLU A 43 -10.531 9.532 7.539 1.00 0.00 O ATOM 680 CB GLU A 43 -12.576 7.787 5.418 1.00 0.00 C ATOM 681 CG GLU A 43 -13.596 7.942 4.303 1.00 0.00 C ATOM 682 CD GLU A 43 -14.305 6.643 3.976 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.038 6.131 4.848 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.127 6.137 2.848 1.00 0.00 O ATOM 0 H GLU A 43 -10.020 8.256 4.142 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.030 9.860 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.072 6.827 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.097 7.764 6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.333 8.691 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.097 8.314 3.408 1.00 0.00 H new ATOM 691 N LEU A 44 -9.854 7.594 6.618 1.00 0.00 N ATOM 692 CA LEU A 44 -8.917 7.286 7.687 1.00 0.00 C ATOM 693 C LEU A 44 -7.494 7.647 7.268 1.00 0.00 C ATOM 694 O LEU A 44 -7.171 7.661 6.080 1.00 0.00 O ATOM 695 CB LEU A 44 -9.018 5.798 8.055 1.00 0.00 C ATOM 696 CG LEU A 44 -7.751 5.172 8.639 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.106 4.090 9.647 1.00 0.00 C ATOM 698 CD2 LEU A 44 -6.889 4.606 7.524 1.00 0.00 C ATOM 0 H LEU A 44 -9.890 6.896 5.875 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.170 7.880 8.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.827 5.675 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.298 5.240 7.162 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.185 5.945 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.192 3.656 10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.691 4.525 10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.690 3.312 9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.989 4.162 7.949 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.449 3.843 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.610 5.406 6.838 1.00 0.00 H new ATOM 710 N PHE A 45 -6.648 7.940 8.251 1.00 0.00 N ATOM 711 CA PHE A 45 -5.262 8.304 7.982 1.00 0.00 C ATOM 712 C PHE A 45 -4.380 7.062 7.891 1.00 0.00 C ATOM 713 O PHE A 45 -3.708 6.696 8.855 1.00 0.00 O ATOM 714 CB PHE A 45 -4.738 9.237 9.076 1.00 0.00 C ATOM 715 CG PHE A 45 -3.481 9.969 8.695 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.250 9.335 8.749 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.532 11.293 8.288 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.093 10.007 8.402 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.378 11.970 7.940 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.156 11.325 7.997 1.00 0.00 C ATOM 0 H PHE A 45 -6.898 7.932 9.240 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.228 8.822 7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.511 9.965 9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.550 8.655 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.194 8.304 9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.484 11.801 8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.140 9.501 8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.431 13.001 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.253 11.851 7.725 1.00 0.00 H new ATOM 730 N PHE A 46 -4.383 6.417 6.728 1.00 0.00 N ATOM 731 CA PHE A 46 -3.579 5.220 6.521 1.00 0.00 C ATOM 732 C PHE A 46 -2.089 5.563 6.531 1.00 0.00 C ATOM 733 O PHE A 46 -1.614 6.314 5.679 1.00 0.00 O ATOM 734 CB PHE A 46 -3.953 4.548 5.198 1.00 0.00 C ATOM 735 CG PHE A 46 -5.134 3.628 5.306 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.118 2.561 6.190 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.261 3.830 4.525 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.205 1.713 6.296 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.351 2.985 4.625 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.323 1.925 5.511 1.00 0.00 C ATOM 0 H PHE A 46 -4.932 6.703 5.917 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.782 4.528 7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.169 5.318 4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.096 3.984 4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.246 2.390 6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.288 4.657 3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.181 0.887 6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.223 3.153 4.011 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.173 1.263 5.590 1.00 0.00 H new ATOM 750 N PRO A 47 -1.328 5.019 7.498 1.00 0.00 N ATOM 751 CA PRO A 47 0.108 5.279 7.608 1.00 0.00 C ATOM 752 C PRO A 47 0.908 4.579 6.517 1.00 0.00 C ATOM 753 O PRO A 47 1.874 5.131 5.994 1.00 0.00 O ATOM 754 CB PRO A 47 0.472 4.713 8.980 1.00 0.00 C ATOM 755 CG PRO A 47 -0.546 3.658 9.239 1.00 0.00 C ATOM 756 CD PRO A 47 -1.809 4.110 8.556 1.00 0.00 C ATOM 0 HA PRO A 47 0.337 6.339 7.496 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.480 4.299 8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.444 5.487 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.216 2.696 8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.708 3.529 10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.362 3.268 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.478 4.620 9.249 1.00 0.00 H new ATOM 764 N VAL A 48 0.509 3.356 6.187 1.00 0.00 N ATOM 765 CA VAL A 48 1.199 2.581 5.167 1.00 0.00 C ATOM 766 C VAL A 48 0.247 2.117 4.067 1.00 0.00 C ATOM 767 O VAL A 48 -0.774 1.488 4.338 1.00 0.00 O ATOM 768 CB VAL A 48 1.892 1.357 5.786 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.804 0.682 4.773 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.665 1.769 7.025 1.00 0.00 C ATOM 0 H VAL A 48 -0.288 2.882 6.611 1.00 0.00 H new ATOM 0 HA VAL A 48 1.947 3.238 4.723 1.00 0.00 H new ATOM 0 HB VAL A 48 1.130 0.634 6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.284 -0.182 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.216 0.356 3.915 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.567 1.387 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.153 0.895 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.419 2.509 6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.980 2.200 7.755 1.00 0.00 H new ATOM 780 N ILE A 49 0.597 2.436 2.825 1.00 0.00 N ATOM 781 CA ILE A 49 -0.212 2.055 1.673 1.00 0.00 C ATOM 782 C ILE A 49 0.548 1.080 0.780 1.00 0.00 C ATOM 783 O ILE A 49 1.726 1.284 0.486 1.00 0.00 O ATOM 784 CB ILE A 49 -0.621 3.284 0.835 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.011 4.453 1.744 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.766 2.928 -0.103 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.288 4.218 2.520 1.00 0.00 C ATOM 0 H ILE A 49 1.440 2.960 2.590 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.112 1.577 2.060 1.00 0.00 H new ATOM 0 HB ILE A 49 0.235 3.592 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.199 4.643 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.125 5.352 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.044 3.805 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.451 2.129 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.624 2.595 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.501 5.088 3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.112 4.058 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.172 3.339 3.154 1.00 0.00 H new ATOM 799 N VAL A 50 -0.128 0.015 0.357 1.00 0.00 N ATOM 800 CA VAL A 50 0.498 -0.989 -0.496 1.00 0.00 C ATOM 801 C VAL A 50 -0.369 -1.327 -1.705 1.00 0.00 C ATOM 802 O VAL A 50 -1.414 -1.964 -1.578 1.00 0.00 O ATOM 803 CB VAL A 50 0.799 -2.282 0.290 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.444 -3.329 -0.610 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.689 -1.976 1.484 1.00 0.00 C ATOM 0 H VAL A 50 -1.103 -0.174 0.590 1.00 0.00 H new ATOM 0 HA VAL A 50 1.434 -0.556 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.144 -2.690 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.646 -4.231 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.769 -3.568 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.379 -2.938 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.894 -2.897 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.627 -1.543 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.185 -1.268 2.142 1.00 0.00 H new ATOM 815 N LEU A 51 0.085 -0.903 -2.879 1.00 0.00 N ATOM 816 CA LEU A 51 -0.631 -1.163 -4.123 1.00 0.00 C ATOM 817 C LEU A 51 -0.386 -2.595 -4.589 1.00 0.00 C ATOM 818 O LEU A 51 0.459 -3.299 -4.035 1.00 0.00 O ATOM 819 CB LEU A 51 -0.186 -0.172 -5.203 1.00 0.00 C ATOM 820 CG LEU A 51 -1.105 -0.068 -6.423 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.556 0.087 -5.991 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.684 1.097 -7.306 1.00 0.00 C ATOM 0 H LEU A 51 0.950 -0.375 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.699 -1.034 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.099 0.816 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.810 -0.456 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.017 -0.989 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.192 0.159 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.854 -0.778 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.663 0.991 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.347 1.158 -8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.743 2.025 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.340 0.945 -7.646 1.00 0.00 H new ATOM 834 N ASP A 52 -1.129 -3.028 -5.603 1.00 0.00 N ATOM 835 CA ASP A 52 -0.985 -4.383 -6.126 1.00 0.00 C ATOM 836 C ASP A 52 -0.943 -4.391 -7.652 1.00 0.00 C ATOM 837 O ASP A 52 -0.009 -4.924 -8.250 1.00 0.00 O ATOM 838 CB ASP A 52 -2.133 -5.263 -5.633 1.00 0.00 C ATOM 839 CG ASP A 52 -1.733 -6.722 -5.515 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.926 -7.184 -6.348 1.00 0.00 O ATOM 841 OD2 ASP A 52 -2.228 -7.399 -4.590 1.00 0.00 O ATOM 0 H ASP A 52 -1.834 -2.463 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.039 -4.782 -5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.473 -4.902 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.976 -5.174 -6.319 1.00 0.00 H new ATOM 846 N VAL A 53 -1.959 -3.807 -8.278 1.00 0.00 N ATOM 847 CA VAL A 53 -2.029 -3.761 -9.733 1.00 0.00 C ATOM 848 C VAL A 53 -2.046 -5.171 -10.319 1.00 0.00 C ATOM 849 O VAL A 53 -1.385 -5.449 -11.321 1.00 0.00 O ATOM 850 CB VAL A 53 -0.840 -2.978 -10.331 1.00 0.00 C ATOM 851 CG1 VAL A 53 -1.059 -2.720 -11.813 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.628 -1.673 -9.581 1.00 0.00 C ATOM 0 H VAL A 53 -2.743 -3.360 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.954 -3.247 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 53 0.060 -3.583 -10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.210 -2.167 -12.215 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.155 -3.671 -12.338 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.970 -2.137 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.214 -1.135 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.527 -1.061 -9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.419 -1.886 -8.533 1.00 0.00 H new ATOM 862 N TRP A 54 -2.804 -6.058 -9.682 1.00 0.00 N ATOM 863 CA TRP A 54 -2.907 -7.443 -10.129 1.00 0.00 C ATOM 864 C TRP A 54 -3.521 -7.526 -11.531 1.00 0.00 C ATOM 865 O TRP A 54 -2.805 -7.477 -12.530 1.00 0.00 O ATOM 866 CB TRP A 54 -3.732 -8.259 -9.126 1.00 0.00 C ATOM 867 CG TRP A 54 -3.976 -9.672 -9.563 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.185 -10.258 -9.806 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.986 -10.677 -9.807 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.006 -11.567 -10.187 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.665 -11.847 -10.195 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.591 -10.700 -9.737 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.996 -13.027 -10.510 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.927 -11.871 -10.050 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.629 -13.020 -10.433 1.00 0.00 C ATOM 0 H TRP A 54 -3.357 -5.842 -8.853 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.903 -7.863 -10.182 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.217 -8.268 -8.166 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.691 -7.765 -8.969 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.142 -9.766 -9.713 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.750 -12.223 -10.425 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.041 -9.818 -9.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.536 -13.915 -10.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.151 -11.900 -9.998 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.081 -13.919 -10.673 1.00 0.00 H new ATOM 886 N MET A 55 -4.844 -7.657 -11.598 1.00 0.00 N ATOM 887 CA MET A 55 -5.540 -7.751 -12.875 1.00 0.00 C ATOM 888 C MET A 55 -5.534 -6.412 -13.615 1.00 0.00 C ATOM 889 O MET A 55 -5.209 -6.357 -14.801 1.00 0.00 O ATOM 890 CB MET A 55 -6.979 -8.225 -12.664 1.00 0.00 C ATOM 891 CG MET A 55 -7.748 -8.433 -13.958 1.00 0.00 C ATOM 892 SD MET A 55 -7.577 -10.106 -14.607 1.00 0.00 S ATOM 893 CE MET A 55 -9.240 -10.410 -15.201 1.00 0.00 C ATOM 0 H MET A 55 -5.454 -7.700 -10.782 1.00 0.00 H new ATOM 0 HA MET A 55 -5.009 -8.479 -13.488 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.966 -9.160 -12.105 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.507 -7.494 -12.051 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.803 -8.220 -13.787 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.396 -7.720 -14.704 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.295 -11.409 -15.633 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.942 -10.334 -14.371 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.496 -9.672 -15.961 1.00 0.00 H new ATOM 903 N PRO A 56 -5.895 -5.307 -12.931 1.00 0.00 N ATOM 904 CA PRO A 56 -5.924 -3.979 -13.550 1.00 0.00 C ATOM 905 C PRO A 56 -4.526 -3.428 -13.801 1.00 0.00 C ATOM 906 O PRO A 56 -3.536 -4.152 -13.707 1.00 0.00 O ATOM 907 CB PRO A 56 -6.656 -3.124 -12.516 1.00 0.00 C ATOM 908 CG PRO A 56 -6.367 -3.786 -11.216 1.00 0.00 C ATOM 909 CD PRO A 56 -6.303 -5.261 -11.512 1.00 0.00 C ATOM 0 HA PRO A 56 -6.404 -3.995 -14.528 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.297 -2.095 -12.526 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.727 -3.090 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.426 -3.430 -10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.145 -3.567 -10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.583 -5.769 -10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.267 -5.745 -11.355 1.00 0.00 H new ATOM 917 N ASP A 57 -4.456 -2.140 -14.119 1.00 0.00 N ATOM 918 CA ASP A 57 -3.180 -1.488 -14.381 1.00 0.00 C ATOM 919 C ASP A 57 -3.321 0.028 -14.309 1.00 0.00 C ATOM 920 O ASP A 57 -2.990 0.739 -15.259 1.00 0.00 O ATOM 921 CB ASP A 57 -2.646 -1.903 -15.749 1.00 0.00 C ATOM 922 CG ASP A 57 -1.139 -2.057 -15.759 1.00 0.00 C ATOM 923 OD1 ASP A 57 -0.632 -2.987 -15.095 1.00 0.00 O ATOM 924 OD2 ASP A 57 -0.463 -1.249 -16.429 1.00 0.00 O ATOM 0 H ASP A 57 -5.268 -1.528 -14.201 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.472 -1.803 -13.615 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.107 -2.845 -16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.937 -1.159 -16.491 1.00 0.00 H new ATOM 929 N GLY A 58 -3.814 0.518 -13.176 1.00 0.00 N ATOM 930 CA GLY A 58 -3.989 1.945 -13.005 1.00 0.00 C ATOM 931 C GLY A 58 -2.681 2.699 -13.105 1.00 0.00 C ATOM 932 O GLY A 58 -1.788 2.518 -12.277 1.00 0.00 O ATOM 0 H GLY A 58 -4.095 -0.048 -12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.680 2.318 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.445 2.139 -12.034 1.00 0.00 H new ATOM 936 N ASP A 59 -2.567 3.549 -14.119 1.00 0.00 N ATOM 937 CA ASP A 59 -1.358 4.336 -14.321 1.00 0.00 C ATOM 938 C ASP A 59 -1.478 5.696 -13.644 1.00 0.00 C ATOM 939 O ASP A 59 -0.910 6.685 -14.106 1.00 0.00 O ATOM 940 CB ASP A 59 -1.084 4.518 -15.816 1.00 0.00 C ATOM 941 CG ASP A 59 -2.300 5.016 -16.571 1.00 0.00 C ATOM 942 OD1 ASP A 59 -2.896 6.024 -16.138 1.00 0.00 O ATOM 943 OD2 ASP A 59 -2.659 4.397 -17.594 1.00 0.00 O ATOM 0 H ASP A 59 -3.297 3.710 -14.813 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.524 3.798 -13.871 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.264 5.223 -15.949 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.760 3.568 -16.241 1.00 0.00 H new ATOM 948 N GLY A 60 -2.221 5.737 -12.542 1.00 0.00 N ATOM 949 CA GLY A 60 -2.402 6.977 -11.817 1.00 0.00 C ATOM 950 C GLY A 60 -1.142 7.414 -11.099 1.00 0.00 C ATOM 951 O GLY A 60 -1.109 7.478 -9.870 1.00 0.00 O ATOM 0 H GLY A 60 -2.700 4.932 -12.140 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.712 7.759 -12.511 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.207 6.857 -11.092 1.00 0.00 H new ATOM 955 N VAL A 61 -0.101 7.721 -11.868 1.00 0.00 N ATOM 956 CA VAL A 61 1.165 8.160 -11.306 1.00 0.00 C ATOM 957 C VAL A 61 0.951 9.266 -10.280 1.00 0.00 C ATOM 958 O VAL A 61 1.558 9.266 -9.211 1.00 0.00 O ATOM 959 CB VAL A 61 2.107 8.668 -12.409 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.478 8.970 -11.839 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.202 7.657 -13.543 1.00 0.00 C ATOM 0 H VAL A 61 -0.114 7.672 -12.887 1.00 0.00 H new ATOM 0 HA VAL A 61 1.620 7.300 -10.814 1.00 0.00 H new ATOM 0 HB VAL A 61 1.695 9.592 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.132 9.328 -12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.391 9.736 -11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.899 8.063 -11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.874 8.036 -14.313 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.588 6.713 -13.158 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.213 7.497 -13.971 1.00 0.00 H new ATOM 971 N ASN A 62 0.076 10.204 -10.617 1.00 0.00 N ATOM 972 CA ASN A 62 -0.233 11.318 -9.730 1.00 0.00 C ATOM 973 C ASN A 62 -0.787 10.823 -8.394 1.00 0.00 C ATOM 974 O ASN A 62 -0.796 11.562 -7.409 1.00 0.00 O ATOM 975 CB ASN A 62 -1.237 12.262 -10.397 1.00 0.00 C ATOM 976 CG ASN A 62 -0.744 13.695 -10.438 1.00 0.00 C ATOM 977 OD1 ASN A 62 -0.794 14.410 -9.437 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.263 14.122 -11.599 1.00 0.00 N ATOM 0 H ASN A 62 -0.434 10.216 -11.500 1.00 0.00 H new ATOM 0 HA ASN A 62 0.692 11.860 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.434 11.919 -11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.183 12.222 -9.858 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.084 15.077 -11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.240 13.495 -12.403 1.00 0.00 H new ATOM 985 N PHE A 63 -1.256 9.575 -8.362 1.00 0.00 N ATOM 986 CA PHE A 63 -1.813 9.001 -7.139 1.00 0.00 C ATOM 987 C PHE A 63 -0.872 9.204 -5.955 1.00 0.00 C ATOM 988 O PHE A 63 -1.310 9.563 -4.861 1.00 0.00 O ATOM 989 CB PHE A 63 -2.103 7.509 -7.317 1.00 0.00 C ATOM 990 CG PHE A 63 -2.835 6.910 -6.149 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.100 7.360 -5.810 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.258 5.908 -5.383 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.778 6.825 -4.731 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.932 5.368 -4.302 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.194 5.828 -3.977 1.00 0.00 C ATOM 0 H PHE A 63 -1.261 8.946 -9.165 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.749 9.521 -6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.694 7.365 -8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.163 6.976 -7.462 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.563 8.140 -6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.272 5.545 -5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.764 7.187 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.472 4.588 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.722 5.408 -3.134 1.00 0.00 H new ATOM 1005 N ILE A 64 0.423 8.981 -6.179 1.00 0.00 N ATOM 1006 CA ILE A 64 1.416 9.150 -5.123 1.00 0.00 C ATOM 1007 C ILE A 64 1.218 10.481 -4.409 1.00 0.00 C ATOM 1008 O ILE A 64 1.501 10.611 -3.219 1.00 0.00 O ATOM 1009 CB ILE A 64 2.853 9.086 -5.677 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.041 7.834 -6.536 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.864 9.112 -4.540 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.651 8.121 -7.888 1.00 0.00 C ATOM 0 H ILE A 64 0.805 8.685 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 64 1.276 8.329 -4.419 1.00 0.00 H new ATOM 0 HB ILE A 64 3.020 9.961 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.676 7.128 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.074 7.350 -6.677 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.873 9.066 -4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.746 10.033 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.698 8.256 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.756 7.190 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.006 8.803 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.632 8.577 -7.755 1.00 0.00 H new ATOM 1024 N ASP A 65 0.714 11.465 -5.147 1.00 0.00 N ATOM 1025 CA ASP A 65 0.462 12.783 -4.586 1.00 0.00 C ATOM 1026 C ASP A 65 -0.666 12.713 -3.567 1.00 0.00 C ATOM 1027 O ASP A 65 -0.508 13.147 -2.430 1.00 0.00 O ATOM 1028 CB ASP A 65 0.119 13.782 -5.692 1.00 0.00 C ATOM 1029 CG ASP A 65 0.908 15.071 -5.571 1.00 0.00 C ATOM 1030 OD1 ASP A 65 2.139 14.998 -5.376 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.294 16.154 -5.672 1.00 0.00 O ATOM 0 H ASP A 65 0.473 11.372 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 65 1.367 13.125 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.317 13.328 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.947 14.007 -5.657 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.805 12.158 -3.978 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.962 12.020 -3.099 1.00 0.00 C ATOM 1038 C PHE A 66 -2.547 11.471 -1.736 1.00 0.00 C ATOM 1039 O PHE A 66 -2.985 11.966 -0.697 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.993 11.100 -3.768 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.004 10.497 -2.833 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.730 9.316 -2.160 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.231 11.106 -2.635 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -5.662 8.757 -1.308 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.167 10.553 -1.785 1.00 0.00 C ATOM 1046 CZ PHE A 66 -6.884 9.377 -1.120 1.00 0.00 C ATOM 0 H PHE A 66 -1.950 11.795 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.408 13.001 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.521 11.667 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.464 10.294 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.777 8.828 -2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.459 12.026 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.437 7.837 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.120 11.040 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.615 8.942 -0.455 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.692 10.455 -1.748 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.212 9.853 -0.512 1.00 0.00 C ATOM 1058 C ILE A 67 -0.442 10.878 0.318 1.00 0.00 C ATOM 1059 O ILE A 67 -0.679 11.024 1.517 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.317 8.623 -0.792 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.166 7.461 -1.313 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.441 8.204 0.462 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.295 7.428 -2.820 1.00 0.00 C ATOM 0 H ILE A 67 -1.318 10.032 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.083 9.518 0.051 1.00 0.00 H new ATOM 0 HB ILE A 67 0.413 8.897 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.728 6.522 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.161 7.525 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.063 7.337 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.072 9.027 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.269 7.948 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.910 6.578 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.762 8.350 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.306 7.332 -3.268 1.00 0.00 H new ATOM 1075 N LYS A 68 0.473 11.594 -0.327 1.00 0.00 N ATOM 1076 CA LYS A 68 1.264 12.608 0.360 1.00 0.00 C ATOM 1077 C LYS A 68 0.440 13.873 0.598 1.00 0.00 C ATOM 1078 O LYS A 68 0.826 14.736 1.386 1.00 0.00 O ATOM 1079 CB LYS A 68 2.517 12.945 -0.452 1.00 0.00 C ATOM 1080 CG LYS A 68 3.331 11.723 -0.850 1.00 0.00 C ATOM 1081 CD LYS A 68 4.728 11.758 -0.249 1.00 0.00 C ATOM 1082 CE LYS A 68 4.828 10.873 0.982 1.00 0.00 C ATOM 1083 NZ LYS A 68 5.796 11.412 1.976 1.00 0.00 N ATOM 0 H LYS A 68 0.684 11.492 -1.320 1.00 0.00 H new ATOM 0 HA LYS A 68 1.565 12.205 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.222 13.484 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.147 13.617 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.816 10.820 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.403 11.672 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.454 11.430 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.985 12.783 0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.845 10.782 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.134 9.870 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.495 10.679 2.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.283 12.238 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.287 11.695 2.838 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.699 13.973 -0.085 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.578 15.125 0.056 1.00 0.00 C ATOM 1099 C GLU A 69 -2.303 15.083 1.393 1.00 0.00 C ATOM 1100 O GLU A 69 -2.302 16.057 2.146 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.593 15.157 -1.087 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.281 16.502 -1.249 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.378 16.473 -2.295 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -5.514 16.081 -1.952 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.103 16.843 -3.455 1.00 0.00 O ATOM 0 H GLU A 69 -1.032 13.267 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.970 16.029 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.088 14.902 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.348 14.390 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.704 16.807 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.541 17.254 -1.524 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.927 13.947 1.676 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.665 13.766 2.920 1.00 0.00 C ATOM 1114 C ASN A 70 -2.955 12.776 3.841 1.00 0.00 C ATOM 1115 O ASN A 70 -3.535 12.296 4.815 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.087 13.283 2.618 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.689 13.991 1.420 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.232 13.630 0.224 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -6.557 14.853 1.564 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.937 13.135 1.059 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.714 14.727 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.073 12.209 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.718 13.448 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.880 15.100 2.499 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.953 15.319 0.748 1.00 0.00 H new ATOM 1126 N SER A 71 -1.696 12.477 3.529 1.00 0.00 N ATOM 1127 CA SER A 71 -0.908 11.550 4.331 1.00 0.00 C ATOM 1128 C SER A 71 0.587 11.761 4.086 1.00 0.00 C ATOM 1129 O SER A 71 1.270 10.882 3.560 1.00 0.00 O ATOM 1130 CB SER A 71 -1.299 10.105 4.010 1.00 0.00 C ATOM 1131 OG SER A 71 -2.049 9.532 5.067 1.00 0.00 O ATOM 0 H SER A 71 -1.201 12.865 2.726 1.00 0.00 H new ATOM 0 HA SER A 71 -1.115 11.744 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.883 10.079 3.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.401 9.513 3.834 1.00 0.00 H new ATOM 0 HG SER A 71 -1.665 9.806 5.926 1.00 0.00 H new ATOM 1137 N PRO A 72 1.118 12.936 4.467 1.00 0.00 N ATOM 1138 CA PRO A 72 2.536 13.258 4.287 1.00 0.00 C ATOM 1139 C PRO A 72 3.433 12.405 5.171 1.00 0.00 C ATOM 1140 O PRO A 72 4.624 12.241 4.903 1.00 0.00 O ATOM 1141 CB PRO A 72 2.639 14.737 4.687 1.00 0.00 C ATOM 1142 CG PRO A 72 1.232 15.232 4.764 1.00 0.00 C ATOM 1143 CD PRO A 72 0.386 14.040 5.101 1.00 0.00 C ATOM 0 HA PRO A 72 2.865 13.065 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.147 14.849 5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.214 15.302 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.133 16.007 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.922 15.674 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.295 13.900 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.625 14.136 4.705 1.00 0.00 H new ATOM 1151 N ASP A 73 2.843 11.860 6.220 1.00 0.00 N ATOM 1152 CA ASP A 73 3.566 11.013 7.159 1.00 0.00 C ATOM 1153 C ASP A 73 3.211 9.546 6.942 1.00 0.00 C ATOM 1154 O ASP A 73 3.171 8.759 7.888 1.00 0.00 O ATOM 1155 CB ASP A 73 3.249 11.422 8.593 1.00 0.00 C ATOM 1156 CG ASP A 73 4.461 11.343 9.500 1.00 0.00 C ATOM 1157 OD1 ASP A 73 5.593 11.482 8.991 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.280 11.141 10.719 1.00 0.00 O ATOM 0 H ASP A 73 1.857 11.989 6.446 1.00 0.00 H new ATOM 0 HA ASP A 73 4.634 11.141 6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.860 12.440 8.600 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.462 10.778 8.986 1.00 0.00 H new ATOM 1163 N SER A 74 2.947 9.189 5.690 1.00 0.00 N ATOM 1164 CA SER A 74 2.588 7.820 5.344 1.00 0.00 C ATOM 1165 C SER A 74 3.696 7.144 4.543 1.00 0.00 C ATOM 1166 O SER A 74 4.745 7.736 4.291 1.00 0.00 O ATOM 1167 CB SER A 74 1.283 7.805 4.545 1.00 0.00 C ATOM 1168 OG SER A 74 0.932 6.487 4.161 1.00 0.00 O ATOM 0 H SER A 74 2.975 9.830 4.897 1.00 0.00 H new ATOM 0 HA SER A 74 2.451 7.263 6.271 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.482 8.237 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.390 8.429 3.658 1.00 0.00 H new ATOM 0 HG SER A 74 0.075 6.245 4.569 1.00 0.00 H new ATOM 1174 N VAL A 75 3.450 5.901 4.146 1.00 0.00 N ATOM 1175 CA VAL A 75 4.424 5.143 3.372 1.00 0.00 C ATOM 1176 C VAL A 75 3.804 4.537 2.119 1.00 0.00 C ATOM 1177 O VAL A 75 2.674 4.053 2.138 1.00 0.00 O ATOM 1178 CB VAL A 75 5.072 4.018 4.199 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.163 3.333 3.387 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.632 4.568 5.502 1.00 0.00 C ATOM 0 H VAL A 75 2.586 5.398 4.347 1.00 0.00 H new ATOM 0 HA VAL A 75 5.194 5.858 3.082 1.00 0.00 H new ATOM 0 HB VAL A 75 4.309 3.279 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.615 2.539 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.730 2.907 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.926 4.062 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.086 3.758 6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.385 5.325 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.826 5.015 6.084 1.00 0.00 H new ATOM 1190 N VAL A 76 4.558 4.584 1.031 1.00 0.00 N ATOM 1191 CA VAL A 76 4.095 4.051 -0.245 1.00 0.00 C ATOM 1192 C VAL A 76 5.082 3.041 -0.818 1.00 0.00 C ATOM 1193 O VAL A 76 6.133 3.411 -1.340 1.00 0.00 O ATOM 1194 CB VAL A 76 3.863 5.168 -1.280 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.973 4.673 -2.412 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.261 6.401 -0.620 1.00 0.00 C ATOM 0 H VAL A 76 5.495 4.986 1.005 1.00 0.00 H new ATOM 0 HA VAL A 76 3.147 3.553 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 76 4.828 5.448 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.821 5.476 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.450 3.827 -2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.010 4.361 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.106 7.176 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.305 6.140 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.940 6.770 0.149 1.00 0.00 H new ATOM 1206 N ILE A 77 4.731 1.761 -0.724 1.00 0.00 N ATOM 1207 CA ILE A 77 5.578 0.695 -1.241 1.00 0.00 C ATOM 1208 C ILE A 77 5.207 0.368 -2.685 1.00 0.00 C ATOM 1209 O ILE A 77 6.077 0.203 -3.539 1.00 0.00 O ATOM 1210 CB ILE A 77 5.468 -0.582 -0.381 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.786 -0.265 1.083 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.399 -1.666 -0.907 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.214 0.184 1.308 1.00 0.00 C ATOM 0 H ILE A 77 3.864 1.439 -0.294 1.00 0.00 H new ATOM 0 HA ILE A 77 6.608 1.051 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 77 4.445 -0.953 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.109 0.515 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.592 -1.150 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.306 -2.558 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.130 -1.909 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.428 -1.308 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.368 0.391 2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.897 -0.603 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.407 1.088 0.730 1.00 0.00 H new ATOM 1225 N VAL A 78 3.906 0.283 -2.949 1.00 0.00 N ATOM 1226 CA VAL A 78 3.409 -0.013 -4.290 1.00 0.00 C ATOM 1227 C VAL A 78 4.130 -1.210 -4.909 1.00 0.00 C ATOM 1228 O VAL A 78 5.209 -1.068 -5.485 1.00 0.00 O ATOM 1229 CB VAL A 78 3.556 1.207 -5.219 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.927 0.929 -6.577 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.933 2.440 -4.582 1.00 0.00 C ATOM 0 H VAL A 78 3.175 0.415 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 78 2.352 -0.259 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 78 4.619 1.397 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.042 1.804 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.421 0.074 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.867 0.710 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.046 3.292 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.874 2.260 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.432 2.653 -3.637 1.00 0.00 H new ATOM 1241 N ILE A 79 3.519 -2.384 -4.791 1.00 0.00 N ATOM 1242 CA ILE A 79 4.091 -3.609 -5.342 1.00 0.00 C ATOM 1243 C ILE A 79 3.162 -4.208 -6.392 1.00 0.00 C ATOM 1244 O ILE A 79 1.944 -4.059 -6.307 1.00 0.00 O ATOM 1245 CB ILE A 79 4.350 -4.662 -4.245 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.863 -3.997 -2.968 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.341 -5.707 -4.735 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.948 -4.941 -1.788 1.00 0.00 C ATOM 0 H ILE A 79 2.625 -2.514 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 79 5.043 -3.339 -5.799 1.00 0.00 H new ATOM 0 HB ILE A 79 3.407 -5.158 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.850 -3.576 -3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.206 -3.166 -2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.513 -6.442 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.938 -6.205 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.283 -5.223 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.319 -4.402 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.958 -5.343 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.628 -5.759 -2.025 1.00 0.00 H new ATOM 1260 N THR A 80 3.736 -4.886 -7.380 1.00 0.00 N ATOM 1261 CA THR A 80 2.942 -5.500 -8.440 1.00 0.00 C ATOM 1262 C THR A 80 3.650 -6.719 -9.027 1.00 0.00 C ATOM 1263 O THR A 80 3.101 -7.821 -9.032 1.00 0.00 O ATOM 1264 CB THR A 80 2.645 -4.483 -9.544 1.00 0.00 C ATOM 1265 OG1 THR A 80 3.775 -4.303 -10.377 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.245 -3.122 -9.014 1.00 0.00 C ATOM 0 H THR A 80 4.743 -5.024 -7.470 1.00 0.00 H new ATOM 0 HA THR A 80 2.001 -5.832 -8.001 1.00 0.00 H new ATOM 0 HB THR A 80 1.805 -4.899 -10.101 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.565 -3.651 -11.077 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.049 -2.450 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.345 -3.218 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.053 -2.717 -8.404 1.00 0.00 H new ATOM 1317 N VAL A 85 8.862 -2.544 -14.746 1.00 0.00 N ATOM 1318 CA VAL A 85 10.077 -1.910 -14.248 1.00 0.00 C ATOM 1319 C VAL A 85 10.016 -0.392 -14.393 1.00 0.00 C ATOM 1320 O VAL A 85 10.684 0.336 -13.660 1.00 0.00 O ATOM 1321 CB VAL A 85 11.324 -2.433 -14.983 1.00 0.00 C ATOM 1322 CG1 VAL A 85 11.530 -3.913 -14.700 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.209 -2.178 -16.479 1.00 0.00 C ATOM 0 HA VAL A 85 10.150 -2.165 -13.191 1.00 0.00 H new ATOM 0 HB VAL A 85 12.195 -1.892 -14.612 1.00 0.00 H new ATOM 0 HG11 VAL A 85 12.416 -4.265 -15.228 1.00 0.00 H new ATOM 0 HG12 VAL A 85 11.663 -4.064 -13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.659 -4.473 -15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.100 -2.555 -16.982 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.329 -2.689 -16.869 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.116 -1.107 -16.659 1.00 0.00 H new ATOM 1333 N ASP A 86 9.217 0.080 -15.344 1.00 0.00 N ATOM 1334 CA ASP A 86 9.080 1.514 -15.581 1.00 0.00 C ATOM 1335 C ASP A 86 7.971 2.119 -14.722 1.00 0.00 C ATOM 1336 O ASP A 86 7.909 3.337 -14.552 1.00 0.00 O ATOM 1337 CB ASP A 86 8.799 1.784 -17.061 1.00 0.00 C ATOM 1338 CG ASP A 86 9.786 1.084 -17.974 1.00 0.00 C ATOM 1339 OD1 ASP A 86 9.548 -0.094 -18.314 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.797 1.714 -18.349 1.00 0.00 O ATOM 0 H ASP A 86 8.656 -0.506 -15.962 1.00 0.00 H new ATOM 0 HA ASP A 86 10.021 1.987 -15.301 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.788 1.454 -17.302 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.836 2.858 -17.245 1.00 0.00 H new ATOM 1345 N THR A 87 7.112 1.271 -14.159 1.00 0.00 N ATOM 1346 CA THR A 87 6.037 1.755 -13.300 1.00 0.00 C ATOM 1347 C THR A 87 6.582 1.971 -11.898 1.00 0.00 C ATOM 1348 O THR A 87 6.181 2.897 -11.192 1.00 0.00 O ATOM 1349 CB THR A 87 4.853 0.775 -13.279 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.637 1.472 -13.079 1.00 0.00 O ATOM 1351 CG2 THR A 87 4.944 -0.285 -12.194 1.00 0.00 C ATOM 0 H THR A 87 7.139 0.259 -14.281 1.00 0.00 H new ATOM 0 HA THR A 87 5.665 2.700 -13.697 1.00 0.00 H new ATOM 0 HB THR A 87 4.886 0.277 -14.248 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.892 0.835 -13.070 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.071 -0.936 -12.247 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.848 -0.877 -12.339 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.979 0.197 -11.217 1.00 0.00 H new ATOM 1359 N ALA A 88 7.521 1.113 -11.514 1.00 0.00 N ATOM 1360 CA ALA A 88 8.154 1.205 -10.214 1.00 0.00 C ATOM 1361 C ALA A 88 8.850 2.547 -10.071 1.00 0.00 C ATOM 1362 O ALA A 88 8.511 3.352 -9.205 1.00 0.00 O ATOM 1363 CB ALA A 88 9.154 0.074 -10.039 1.00 0.00 C ATOM 0 H ALA A 88 7.858 0.343 -12.092 1.00 0.00 H new ATOM 0 HA ALA A 88 7.390 1.119 -9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.624 0.152 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.638 -0.883 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.918 0.140 -10.814 1.00 0.00 H new ATOM 1369 N VAL A 89 9.818 2.783 -10.945 1.00 0.00 N ATOM 1370 CA VAL A 89 10.564 4.028 -10.939 1.00 0.00 C ATOM 1371 C VAL A 89 9.631 5.221 -11.124 1.00 0.00 C ATOM 1372 O VAL A 89 9.905 6.318 -10.641 1.00 0.00 O ATOM 1373 CB VAL A 89 11.635 4.037 -12.048 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.498 2.790 -11.958 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.991 4.143 -13.425 1.00 0.00 C ATOM 0 H VAL A 89 10.104 2.124 -11.669 1.00 0.00 H new ATOM 0 HA VAL A 89 11.058 4.108 -9.971 1.00 0.00 H new ATOM 0 HB VAL A 89 12.269 4.912 -11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.250 2.810 -12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.992 2.759 -10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.872 1.905 -12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.767 4.147 -14.190 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.330 3.291 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.415 5.066 -13.487 1.00 0.00 H new ATOM 1385 N LYS A 90 8.522 4.995 -11.824 1.00 0.00 N ATOM 1386 CA LYS A 90 7.546 6.048 -12.066 1.00 0.00 C ATOM 1387 C LYS A 90 6.667 6.278 -10.837 1.00 0.00 C ATOM 1388 O LYS A 90 5.820 7.171 -10.830 1.00 0.00 O ATOM 1389 CB LYS A 90 6.676 5.690 -13.270 1.00 0.00 C ATOM 1390 CG LYS A 90 5.729 6.801 -13.692 1.00 0.00 C ATOM 1391 CD LYS A 90 5.162 6.547 -15.079 1.00 0.00 C ATOM 1392 CE LYS A 90 6.258 6.506 -16.133 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.520 5.119 -16.608 1.00 0.00 N ATOM 0 H LYS A 90 8.279 4.092 -12.232 1.00 0.00 H new ATOM 0 HA LYS A 90 8.088 6.970 -12.274 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.322 5.436 -14.111 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.094 4.799 -13.034 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.914 6.880 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.257 7.755 -13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.617 5.603 -15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.445 7.329 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.972 7.131 -16.979 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.175 6.928 -15.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.986 5.152 -17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.137 4.630 -15.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.620 4.604 -16.690 1.00 0.00 H new ATOM 1407 N ALA A 91 6.870 5.467 -9.799 1.00 0.00 N ATOM 1408 CA ALA A 91 6.090 5.588 -8.575 1.00 0.00 C ATOM 1409 C ALA A 91 6.982 5.896 -7.375 1.00 0.00 C ATOM 1410 O ALA A 91 6.615 6.691 -6.510 1.00 0.00 O ATOM 1411 CB ALA A 91 5.298 4.312 -8.330 1.00 0.00 C ATOM 0 H ALA A 91 7.567 4.722 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 91 5.397 6.420 -8.698 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.719 4.414 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.623 4.136 -9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.984 3.471 -8.234 1.00 0.00 H new ATOM 1417 N ILE A 92 8.149 5.259 -7.323 1.00 0.00 N ATOM 1418 CA ILE A 92 9.080 5.467 -6.218 1.00 0.00 C ATOM 1419 C ILE A 92 9.781 6.819 -6.326 1.00 0.00 C ATOM 1420 O ILE A 92 9.874 7.557 -5.345 1.00 0.00 O ATOM 1421 CB ILE A 92 10.132 4.337 -6.140 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.188 4.489 -7.237 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.452 2.981 -6.242 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.136 3.312 -7.329 1.00 0.00 C ATOM 0 H ILE A 92 8.471 4.598 -8.030 1.00 0.00 H new ATOM 0 HA ILE A 92 8.489 5.453 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 92 10.637 4.408 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.688 4.618 -8.197 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.764 5.396 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.202 2.192 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.744 2.867 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.922 2.910 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.857 3.487 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.663 3.195 -6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.571 2.405 -7.544 1.00 0.00 H new ATOM 1436 N LYS A 93 10.266 7.142 -7.519 1.00 0.00 N ATOM 1437 CA LYS A 93 10.950 8.411 -7.741 1.00 0.00 C ATOM 1438 C LYS A 93 10.017 9.581 -7.444 1.00 0.00 C ATOM 1439 O LYS A 93 10.463 10.669 -7.083 1.00 0.00 O ATOM 1440 CB LYS A 93 11.465 8.497 -9.180 1.00 0.00 C ATOM 1441 CG LYS A 93 12.890 9.017 -9.289 1.00 0.00 C ATOM 1442 CD LYS A 93 13.045 10.368 -8.608 1.00 0.00 C ATOM 1443 CE LYS A 93 12.391 11.478 -9.414 1.00 0.00 C ATOM 1444 NZ LYS A 93 12.895 11.518 -10.815 1.00 0.00 N ATOM 0 H LYS A 93 10.199 6.546 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 93 11.801 8.465 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.413 7.508 -9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.805 9.147 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.575 8.300 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.167 9.104 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.600 10.328 -7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.104 10.590 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.311 11.334 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.581 12.437 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.734 12.464 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.913 11.307 -10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.390 10.810 -11.386 1.00 0.00 H new ATOM 1458 N LYS A 94 8.716 9.346 -7.594 1.00 0.00 N ATOM 1459 CA LYS A 94 7.721 10.376 -7.336 1.00 0.00 C ATOM 1460 C LYS A 94 7.671 10.721 -5.851 1.00 0.00 C ATOM 1461 O LYS A 94 7.960 11.852 -5.458 1.00 0.00 O ATOM 1462 CB LYS A 94 6.348 9.917 -7.818 1.00 0.00 C ATOM 1463 CG LYS A 94 5.794 10.751 -8.962 1.00 0.00 C ATOM 1464 CD LYS A 94 6.718 10.723 -10.169 1.00 0.00 C ATOM 1465 CE LYS A 94 6.558 11.972 -11.021 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.217 12.036 -11.667 1.00 0.00 N ATOM 0 H LYS A 94 8.329 8.451 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 94 8.006 11.273 -7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.413 8.877 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.649 9.951 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.811 10.374 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.657 11.780 -8.631 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.752 10.639 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.505 9.840 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.704 12.856 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.332 11.990 -11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.129 12.926 -12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.107 11.233 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.478 11.994 -10.937 1.00 0.00 H new ATOM 1480 N GLY A 95 7.307 9.741 -5.028 1.00 0.00 N ATOM 1481 CA GLY A 95 7.233 9.972 -3.596 1.00 0.00 C ATOM 1482 C GLY A 95 7.027 8.702 -2.786 1.00 0.00 C ATOM 1483 O GLY A 95 6.607 8.767 -1.631 1.00 0.00 O ATOM 0 H GLY A 95 7.063 8.796 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.151 10.458 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.415 10.662 -3.389 1.00 0.00 H new ATOM 1487 N ALA A 96 7.324 7.546 -3.377 1.00 0.00 N ATOM 1488 CA ALA A 96 7.165 6.278 -2.675 1.00 0.00 C ATOM 1489 C ALA A 96 8.445 5.897 -1.941 1.00 0.00 C ATOM 1490 O ALA A 96 9.367 6.704 -1.822 1.00 0.00 O ATOM 1491 CB ALA A 96 6.750 5.175 -3.642 1.00 0.00 C ATOM 0 H ALA A 96 7.673 7.463 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 96 6.375 6.399 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.637 4.237 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.802 5.439 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.514 5.058 -4.411 1.00 0.00 H new ATOM 1497 N TYR A 97 8.495 4.666 -1.442 1.00 0.00 N ATOM 1498 CA TYR A 97 9.662 4.185 -0.713 1.00 0.00 C ATOM 1499 C TYR A 97 10.507 3.242 -1.567 1.00 0.00 C ATOM 1500 O TYR A 97 11.681 3.018 -1.274 1.00 0.00 O ATOM 1501 CB TYR A 97 9.220 3.490 0.580 1.00 0.00 C ATOM 1502 CG TYR A 97 10.332 2.768 1.310 1.00 0.00 C ATOM 1503 CD1 TYR A 97 11.344 3.473 1.947 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.363 1.380 1.366 1.00 0.00 C ATOM 1505 CE1 TYR A 97 12.359 2.816 2.617 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.373 0.715 2.034 1.00 0.00 C ATOM 1507 CZ TYR A 97 12.368 1.438 2.658 1.00 0.00 C ATOM 1508 OH TYR A 97 13.376 0.779 3.325 1.00 0.00 O ATOM 0 H TYR A 97 7.741 3.984 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 97 10.284 5.045 -0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.785 4.234 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.432 2.775 0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 97 11.338 4.553 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.584 0.811 0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.141 3.379 3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.383 -0.364 2.067 1.00 0.00 H new ATOM 0 HH TYR A 97 13.234 -0.188 3.259 1.00 0.00 H new ATOM 1518 N GLU A 98 9.896 2.704 -2.623 1.00 0.00 N ATOM 1519 CA GLU A 98 10.558 1.775 -3.555 1.00 0.00 C ATOM 1520 C GLU A 98 9.528 0.826 -4.167 1.00 0.00 C ATOM 1521 O GLU A 98 8.325 1.070 -4.085 1.00 0.00 O ATOM 1522 CB GLU A 98 11.658 0.959 -2.857 1.00 0.00 C ATOM 1523 CG GLU A 98 11.177 0.208 -1.626 1.00 0.00 C ATOM 1524 CD GLU A 98 12.307 -0.133 -0.674 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.261 0.668 -0.573 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.239 -1.199 -0.029 1.00 0.00 O ATOM 0 H GLU A 98 8.923 2.898 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 98 11.024 2.371 -4.340 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.074 0.245 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.467 1.630 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.436 0.812 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.679 -0.710 -1.937 1.00 0.00 H new ATOM 1533 N PHE A 99 10.002 -0.257 -4.781 1.00 0.00 N ATOM 1534 CA PHE A 99 9.113 -1.234 -5.401 1.00 0.00 C ATOM 1535 C PHE A 99 9.513 -2.656 -5.017 1.00 0.00 C ATOM 1536 O PHE A 99 10.427 -3.234 -5.605 1.00 0.00 O ATOM 1537 CB PHE A 99 9.141 -1.080 -6.921 1.00 0.00 C ATOM 1538 CG PHE A 99 7.784 -0.885 -7.538 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.006 0.213 -7.204 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.289 -1.798 -8.457 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.762 0.397 -7.776 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.045 -1.618 -9.033 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.281 -0.520 -8.692 1.00 0.00 C ATOM 0 H PHE A 99 10.994 -0.478 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 99 8.101 -1.051 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.772 -0.230 -7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.604 -1.965 -7.358 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.377 0.932 -6.489 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.882 -2.660 -8.726 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.166 1.257 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.672 -2.335 -9.749 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.309 -0.378 -9.140 1.00 0.00 H new ATOM 1553 N LEU A 100 8.822 -3.213 -4.029 1.00 0.00 N ATOM 1554 CA LEU A 100 9.103 -4.565 -3.569 1.00 0.00 C ATOM 1555 C LEU A 100 8.822 -5.586 -4.668 1.00 0.00 C ATOM 1556 O LEU A 100 8.240 -5.255 -5.701 1.00 0.00 O ATOM 1557 CB LEU A 100 8.256 -4.876 -2.335 1.00 0.00 C ATOM 1558 CG LEU A 100 8.768 -6.013 -1.453 1.00 0.00 C ATOM 1559 CD1 LEU A 100 10.262 -5.873 -1.195 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.003 -6.037 -0.141 1.00 0.00 C ATOM 0 H LEU A 100 8.063 -2.748 -3.532 1.00 0.00 H new ATOM 0 HA LEU A 100 10.160 -4.629 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.185 -3.973 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.245 -5.121 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 100 8.605 -6.955 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.601 -6.695 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.799 -5.898 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.457 -4.926 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.374 -6.851 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.143 -5.089 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.942 -6.188 -0.341 1.00 0.00 H new ATOM 1572 N GLU A 101 9.239 -6.826 -4.437 1.00 0.00 N ATOM 1573 CA GLU A 101 9.031 -7.895 -5.407 1.00 0.00 C ATOM 1574 C GLU A 101 7.753 -8.669 -5.102 1.00 0.00 C ATOM 1575 O GLU A 101 7.644 -9.326 -4.067 1.00 0.00 O ATOM 1576 CB GLU A 101 10.230 -8.846 -5.415 1.00 0.00 C ATOM 1577 CG GLU A 101 11.419 -8.321 -6.202 1.00 0.00 C ATOM 1578 CD GLU A 101 12.743 -8.625 -5.529 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.091 -9.819 -5.414 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.431 -7.670 -5.116 1.00 0.00 O ATOM 0 H GLU A 101 9.723 -7.116 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 101 8.930 -7.441 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.540 -9.035 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.921 -9.803 -5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.413 -8.761 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.319 -7.243 -6.329 1.00 0.00 H new ATOM 1654 N VAL A 106 6.223 -12.759 0.763 1.00 0.00 N ATOM 1655 CA VAL A 106 5.611 -11.667 1.513 1.00 0.00 C ATOM 1656 C VAL A 106 6.263 -11.504 2.885 1.00 0.00 C ATOM 1657 O VAL A 106 6.145 -10.453 3.517 1.00 0.00 O ATOM 1658 CB VAL A 106 4.096 -11.889 1.691 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.828 -13.143 2.508 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.446 -10.671 2.335 1.00 0.00 C ATOM 0 HA VAL A 106 5.769 -10.757 0.934 1.00 0.00 H new ATOM 0 HB VAL A 106 3.653 -12.028 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.753 -13.280 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.253 -14.007 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.286 -13.041 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.377 -10.848 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.893 -10.494 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.602 -9.798 1.702 1.00 0.00 H new ATOM 1670 N GLU A 107 6.957 -12.543 3.343 1.00 0.00 N ATOM 1671 CA GLU A 107 7.628 -12.498 4.634 1.00 0.00 C ATOM 1672 C GLU A 107 8.651 -11.369 4.663 1.00 0.00 C ATOM 1673 O GLU A 107 8.761 -10.641 5.649 1.00 0.00 O ATOM 1674 CB GLU A 107 8.310 -13.832 4.922 1.00 0.00 C ATOM 1675 CG GLU A 107 8.512 -14.101 6.402 1.00 0.00 C ATOM 1676 CD GLU A 107 9.828 -14.796 6.694 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.873 -14.112 6.699 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.813 -16.025 6.918 1.00 0.00 O ATOM 0 H GLU A 107 7.068 -13.423 2.839 1.00 0.00 H new ATOM 0 HA GLU A 107 6.881 -12.311 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.713 -14.637 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.278 -13.852 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.475 -13.158 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.691 -14.716 6.771 1.00 0.00 H new ATOM 1685 N ARG A 108 9.392 -11.224 3.568 1.00 0.00 N ATOM 1686 CA ARG A 108 10.398 -10.177 3.461 1.00 0.00 C ATOM 1687 C ARG A 108 9.738 -8.804 3.514 1.00 0.00 C ATOM 1688 O ARG A 108 10.295 -7.854 4.064 1.00 0.00 O ATOM 1689 CB ARG A 108 11.193 -10.328 2.163 1.00 0.00 C ATOM 1690 CG ARG A 108 12.255 -9.257 1.970 1.00 0.00 C ATOM 1691 CD ARG A 108 13.561 -9.846 1.457 1.00 0.00 C ATOM 1692 NE ARG A 108 14.016 -9.187 0.235 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.267 -9.244 -0.217 1.00 0.00 C ATOM 1694 NH1 ARG A 108 16.190 -9.929 0.448 1.00 0.00 N ATOM 1695 NH2 ARG A 108 15.596 -8.616 -1.337 1.00 0.00 N ATOM 0 H ARG A 108 9.313 -11.819 2.743 1.00 0.00 H new ATOM 0 HA ARG A 108 11.085 -10.271 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.671 -11.308 2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.503 -10.300 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.893 -8.508 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.433 -8.746 2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.328 -9.753 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.428 -10.911 1.267 1.00 0.00 H new ATOM 0 HE ARG A 108 13.335 -8.652 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.942 -10.415 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.147 -9.969 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.891 -8.089 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.554 -8.660 -1.683 1.00 0.00 H new ATOM 1709 N PHE A 109 8.540 -8.713 2.946 1.00 0.00 N ATOM 1710 CA PHE A 109 7.791 -7.464 2.935 1.00 0.00 C ATOM 1711 C PHE A 109 7.504 -7.010 4.363 1.00 0.00 C ATOM 1712 O PHE A 109 7.572 -5.821 4.675 1.00 0.00 O ATOM 1713 CB PHE A 109 6.480 -7.636 2.158 1.00 0.00 C ATOM 1714 CG PHE A 109 5.526 -6.486 2.318 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.973 -5.179 2.212 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.185 -6.712 2.581 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.099 -4.120 2.364 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.307 -5.657 2.733 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.765 -4.359 2.625 1.00 0.00 C ATOM 0 H PHE A 109 8.067 -9.491 2.487 1.00 0.00 H new ATOM 0 HA PHE A 109 8.391 -6.701 2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.709 -7.761 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.990 -8.552 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.016 -4.986 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.822 -7.725 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.459 -3.106 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.263 -5.847 2.936 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.081 -3.532 2.745 1.00 0.00 H new ATOM 1729 N LEU A 110 7.184 -7.969 5.225 1.00 0.00 N ATOM 1730 CA LEU A 110 6.888 -7.679 6.621 1.00 0.00 C ATOM 1731 C LEU A 110 8.040 -6.929 7.285 1.00 0.00 C ATOM 1732 O LEU A 110 7.823 -6.051 8.121 1.00 0.00 O ATOM 1733 CB LEU A 110 6.602 -8.969 7.376 1.00 0.00 C ATOM 1734 CG LEU A 110 5.213 -9.043 8.004 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.031 -10.366 8.722 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.998 -7.879 8.961 1.00 0.00 C ATOM 0 H LEU A 110 7.123 -8.957 4.979 1.00 0.00 H new ATOM 0 HA LEU A 110 6.004 -7.041 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.722 -9.809 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.348 -9.088 8.161 1.00 0.00 H new ATOM 0 HG LEU A 110 4.468 -8.975 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.036 -10.406 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.144 -11.184 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.782 -10.460 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.003 -7.948 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.747 -7.916 9.752 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.091 -6.939 8.417 1.00 0.00 H new ATOM 1748 N LEU A 111 9.263 -7.281 6.905 1.00 0.00 N ATOM 1749 CA LEU A 111 10.450 -6.644 7.463 1.00 0.00 C ATOM 1750 C LEU A 111 10.457 -5.146 7.177 1.00 0.00 C ATOM 1751 O LEU A 111 10.783 -4.341 8.049 1.00 0.00 O ATOM 1752 CB LEU A 111 11.714 -7.289 6.897 1.00 0.00 C ATOM 1753 CG LEU A 111 12.054 -8.666 7.477 1.00 0.00 C ATOM 1754 CD1 LEU A 111 12.349 -9.661 6.364 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.235 -8.564 8.433 1.00 0.00 C ATOM 0 H LEU A 111 9.459 -8.004 6.213 1.00 0.00 H new ATOM 0 HA LEU A 111 10.429 -6.786 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.603 -7.384 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.556 -6.619 7.073 1.00 0.00 H new ATOM 0 HG LEU A 111 11.190 -9.027 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.588 -10.632 6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 111 11.475 -9.757 5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.196 -9.308 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.463 -9.551 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.104 -8.181 7.898 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.984 -7.888 9.250 1.00 0.00 H new ATOM 1767 N THR A 112 10.094 -4.777 5.953 1.00 0.00 N ATOM 1768 CA THR A 112 10.058 -3.374 5.557 1.00 0.00 C ATOM 1769 C THR A 112 8.904 -2.645 6.239 1.00 0.00 C ATOM 1770 O THR A 112 9.077 -1.549 6.772 1.00 0.00 O ATOM 1771 CB THR A 112 9.927 -3.256 4.038 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.005 -3.910 3.390 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.897 -1.825 3.547 1.00 0.00 C ATOM 0 H THR A 112 9.821 -5.430 5.218 1.00 0.00 H new ATOM 0 HA THR A 112 10.992 -2.909 5.871 1.00 0.00 H new ATOM 0 HB THR A 112 8.974 -3.726 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.903 -3.825 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.803 -1.815 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.047 -1.306 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.820 -1.322 3.836 1.00 0.00 H new ATOM 1781 N ILE A 113 7.724 -3.262 6.213 1.00 0.00 N ATOM 1782 CA ILE A 113 6.530 -2.680 6.822 1.00 0.00 C ATOM 1783 C ILE A 113 6.835 -2.085 8.194 1.00 0.00 C ATOM 1784 O ILE A 113 6.621 -0.894 8.424 1.00 0.00 O ATOM 1785 CB ILE A 113 5.406 -3.737 6.954 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.639 -3.859 5.636 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.455 -3.392 8.093 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.886 -2.602 5.257 1.00 0.00 C ATOM 0 H ILE A 113 7.569 -4.170 5.774 1.00 0.00 H new ATOM 0 HA ILE A 113 6.193 -1.879 6.164 1.00 0.00 H new ATOM 0 HB ILE A 113 5.869 -4.697 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.340 -4.108 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.934 -4.687 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.677 -4.152 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.009 -3.355 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.998 -2.421 7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.366 -2.760 4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.161 -2.364 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.588 -1.775 5.150 1.00 0.00 H new ATOM 1800 N LYS A 114 7.338 -2.916 9.101 1.00 0.00 N ATOM 1801 CA LYS A 114 7.675 -2.468 10.446 1.00 0.00 C ATOM 1802 C LYS A 114 8.477 -1.176 10.382 1.00 0.00 C ATOM 1803 O LYS A 114 8.114 -0.172 10.994 1.00 0.00 O ATOM 1804 CB LYS A 114 8.468 -3.545 11.183 1.00 0.00 C ATOM 1805 CG LYS A 114 8.691 -3.243 12.657 1.00 0.00 C ATOM 1806 CD LYS A 114 9.965 -2.442 12.885 1.00 0.00 C ATOM 1807 CE LYS A 114 11.191 -3.170 12.356 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.173 -4.617 12.706 1.00 0.00 N ATOM 0 H LYS A 114 7.521 -3.904 8.928 1.00 0.00 H new ATOM 0 HA LYS A 114 6.751 -2.282 10.993 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.943 -4.496 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.436 -3.667 10.696 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.838 -2.688 13.047 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.745 -4.178 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.878 -1.473 12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.088 -2.250 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.239 -3.059 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.091 -2.709 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.120 -5.022 12.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.900 -4.730 13.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.487 -5.112 12.101 1.00 0.00 H new ATOM 1822 N HIS A 115 9.570 -1.212 9.629 1.00 0.00 N ATOM 1823 CA HIS A 115 10.427 -0.046 9.471 1.00 0.00 C ATOM 1824 C HIS A 115 9.652 1.123 8.868 1.00 0.00 C ATOM 1825 O HIS A 115 9.979 2.285 9.109 1.00 0.00 O ATOM 1826 CB HIS A 115 11.627 -0.385 8.592 1.00 0.00 C ATOM 1827 CG HIS A 115 12.888 -0.617 9.363 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.901 -0.989 10.691 1.00 0.00 N ATOM 1829 CD2 HIS A 115 14.186 -0.528 8.987 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.151 -1.117 11.098 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.950 -0.844 10.084 1.00 0.00 N ATOM 0 H HIS A 115 9.883 -2.038 9.118 1.00 0.00 H new ATOM 0 HA HIS A 115 10.782 0.249 10.459 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.399 -1.277 8.008 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.789 0.427 7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.552 -0.259 8.007 1.00 0.00 H new ATOM 0 HE1 HIS A 115 14.466 -1.398 12.092 1.00 0.00 H new ATOM 0 HE2 HIS A 115 15.969 -0.864 10.110 1.00 0.00 H new ATOM 1840 N ALA A 116 8.625 0.810 8.083 1.00 0.00 N ATOM 1841 CA ALA A 116 7.810 1.840 7.451 1.00 0.00 C ATOM 1842 C ALA A 116 7.032 2.636 8.494 1.00 0.00 C ATOM 1843 O ALA A 116 6.812 3.837 8.336 1.00 0.00 O ATOM 1844 CB ALA A 116 6.858 1.213 6.444 1.00 0.00 C ATOM 0 H ALA A 116 8.339 -0.146 7.870 1.00 0.00 H new ATOM 0 HA ALA A 116 8.474 2.527 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.255 1.993 5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.431 0.692 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.205 0.504 6.953 1.00 0.00 H new ATOM 1850 N PHE A 117 6.614 1.956 9.556 1.00 0.00 N ATOM 1851 CA PHE A 117 5.855 2.590 10.625 1.00 0.00 C ATOM 1852 C PHE A 117 6.742 3.469 11.508 1.00 0.00 C ATOM 1853 O PHE A 117 6.241 4.272 12.295 1.00 0.00 O ATOM 1854 CB PHE A 117 5.167 1.522 11.474 1.00 0.00 C ATOM 1855 CG PHE A 117 3.857 1.064 10.903 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.722 1.842 11.046 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.760 -0.140 10.223 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.513 1.432 10.524 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.551 -0.557 9.698 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.426 0.230 9.850 1.00 0.00 C ATOM 0 H PHE A 117 6.790 0.961 9.699 1.00 0.00 H new ATOM 0 HA PHE A 117 5.105 3.234 10.166 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.832 0.664 11.575 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.001 1.916 12.477 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.783 2.783 11.573 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.637 -0.758 10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.635 2.050 10.642 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.486 -1.497 9.170 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.480 -0.094 9.442 1.00 0.00 H new ATOM 1870 N GLU A 118 8.058 3.318 11.377 1.00 0.00 N ATOM 1871 CA GLU A 118 8.996 4.105 12.171 1.00 0.00 C ATOM 1872 C GLU A 118 8.800 5.602 11.941 1.00 0.00 C ATOM 1873 O GLU A 118 9.205 6.423 12.765 1.00 0.00 O ATOM 1874 CB GLU A 118 10.435 3.716 11.841 1.00 0.00 C ATOM 1875 CG GLU A 118 10.870 2.404 12.475 1.00 0.00 C ATOM 1876 CD GLU A 118 12.373 2.313 12.651 1.00 0.00 C ATOM 1877 OE1 GLU A 118 13.104 2.968 11.878 1.00 0.00 O ATOM 1878 OE2 GLU A 118 12.821 1.587 13.564 1.00 0.00 O ATOM 0 H GLU A 118 8.497 2.661 10.732 1.00 0.00 H new ATOM 0 HA GLU A 118 8.798 3.890 13.221 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.544 3.641 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.103 4.510 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.387 2.296 13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.529 1.574 11.855 1.00 0.00 H new