USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 481 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0613 (180deg=-0.288) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0756 X(o=-0.076,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -0.991 (180deg=-2.6!) USER MOD Single : A 45 GLN : amide:sc= -3.55! C(o=-3.5!,f=-8.7!) USER MOD Single : A 52 HIS : no HD1:sc= 0.896 K(o=0.9,f=-4!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.371 F(o=-0.92,f=-0.37) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.0595 F(o=-0.59,f=-0.06) USER MOD Single : A 55 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-2.2!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.054) USER MOD Single : A 57 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.220 -32.157 -8.535 1.00 0.00 N ATOM 2 CA MET A 1 23.801 -30.761 -8.577 1.00 0.00 C ATOM 3 C MET A 1 22.335 -30.652 -8.984 1.00 0.00 C ATOM 4 O MET A 1 21.653 -29.690 -8.632 1.00 0.00 O ATOM 5 CB MET A 1 24.668 -29.985 -9.570 1.00 0.00 C ATOM 6 CG MET A 1 23.919 -28.734 -10.034 1.00 0.00 C ATOM 7 SD MET A 1 22.819 -29.162 -11.405 1.00 0.00 S ATOM 8 CE MET A 1 23.267 -27.786 -12.491 1.00 0.00 C ATOM 0 H1 MET A 1 25.138 -32.230 -8.051 1.00 0.00 H new ATOM 0 H2 MET A 1 23.511 -32.717 -8.019 1.00 0.00 H new ATOM 0 H3 MET A 1 24.310 -32.522 -9.505 1.00 0.00 H new ATOM 0 HA MET A 1 23.921 -30.336 -7.581 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.612 -29.704 -9.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.911 -30.615 -10.426 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.343 -28.315 -9.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.628 -27.968 -10.348 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.696 -27.852 -13.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.044 -26.842 -11.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.332 -27.833 -12.718 1.00 0.00 H new ATOM 18 N THR A 2 21.857 -31.646 -9.726 1.00 0.00 N ATOM 19 CA THR A 2 20.470 -31.651 -10.174 1.00 0.00 C ATOM 20 C THR A 2 19.522 -31.620 -8.979 1.00 0.00 C ATOM 21 O THR A 2 18.309 -31.480 -9.140 1.00 0.00 O ATOM 22 CB THR A 2 20.195 -32.901 -11.013 1.00 0.00 C ATOM 23 OG1 THR A 2 20.859 -34.014 -10.432 1.00 0.00 O ATOM 24 CG2 THR A 2 20.709 -32.685 -12.438 1.00 0.00 C ATOM 0 H THR A 2 22.405 -32.452 -10.027 1.00 0.00 H new ATOM 0 HA THR A 2 20.301 -30.762 -10.782 1.00 0.00 H new ATOM 0 HB THR A 2 19.122 -33.091 -11.041 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.683 -34.816 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.513 -33.576 -13.035 1.00 0.00 H new ATOM 0 HG22 THR A 2 20.199 -31.831 -12.883 1.00 0.00 H new ATOM 0 HG23 THR A 2 21.782 -32.494 -12.413 1.00 0.00 H new ATOM 32 N TYR A 3 20.084 -31.751 -7.782 1.00 0.00 N ATOM 33 CA TYR A 3 19.280 -31.737 -6.566 1.00 0.00 C ATOM 34 C TYR A 3 18.392 -30.498 -6.527 1.00 0.00 C ATOM 35 O TYR A 3 17.293 -30.527 -5.973 1.00 0.00 O ATOM 36 CB TYR A 3 20.191 -31.754 -5.337 1.00 0.00 C ATOM 37 CG TYR A 3 20.651 -33.167 -5.072 1.00 0.00 C ATOM 38 CD1 TYR A 3 19.800 -34.070 -4.424 1.00 0.00 C ATOM 39 CD2 TYR A 3 21.929 -33.574 -5.472 1.00 0.00 C ATOM 40 CE1 TYR A 3 20.227 -35.380 -4.177 1.00 0.00 C ATOM 41 CE2 TYR A 3 22.356 -34.884 -5.226 1.00 0.00 C ATOM 42 CZ TYR A 3 21.505 -35.787 -4.577 1.00 0.00 C ATOM 43 OH TYR A 3 21.926 -37.079 -4.335 1.00 0.00 O ATOM 0 H TYR A 3 21.086 -31.867 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 3 18.647 -32.624 -6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 3 21.051 -31.104 -5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 3 19.657 -31.365 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 3 18.814 -33.756 -4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 3 22.586 -32.877 -5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 3 19.570 -36.077 -3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 3 23.341 -35.198 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 3 22.837 -37.196 -4.677 1.00 0.00 H new ATOM 53 N PHE A 4 18.875 -29.411 -7.119 1.00 0.00 N ATOM 54 CA PHE A 4 18.115 -28.167 -7.145 1.00 0.00 C ATOM 55 C PHE A 4 16.658 -28.441 -7.504 1.00 0.00 C ATOM 56 O PHE A 4 15.755 -27.735 -7.054 1.00 0.00 O ATOM 57 CB PHE A 4 18.721 -27.203 -8.166 1.00 0.00 C ATOM 58 CG PHE A 4 18.312 -25.789 -7.830 1.00 0.00 C ATOM 59 CD1 PHE A 4 19.105 -25.015 -6.975 1.00 0.00 C ATOM 60 CD2 PHE A 4 17.140 -25.251 -8.376 1.00 0.00 C ATOM 61 CE1 PHE A 4 18.725 -23.705 -6.663 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.760 -23.940 -8.065 1.00 0.00 C ATOM 63 CZ PHE A 4 17.553 -23.167 -7.207 1.00 0.00 C ATOM 0 H PHE A 4 19.782 -29.366 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 4 18.157 -27.716 -6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 4 19.808 -27.289 -8.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.384 -27.461 -9.170 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.010 -25.429 -6.556 1.00 0.00 H new ATOM 0 HD2 PHE A 4 16.529 -25.848 -9.037 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.336 -23.109 -6.002 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.856 -23.525 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.260 -22.156 -6.965 1.00 0.00 H new ATOM 73 N TYR A 5 16.439 -29.470 -8.316 1.00 0.00 N ATOM 74 CA TYR A 5 15.087 -29.828 -8.727 1.00 0.00 C ATOM 75 C TYR A 5 14.439 -30.745 -7.696 1.00 0.00 C ATOM 76 O TYR A 5 13.244 -30.641 -7.423 1.00 0.00 O ATOM 77 CB TYR A 5 15.123 -30.530 -10.087 1.00 0.00 C ATOM 78 CG TYR A 5 13.810 -31.236 -10.323 1.00 0.00 C ATOM 79 CD1 TYR A 5 12.698 -30.515 -10.777 1.00 0.00 C ATOM 80 CD2 TYR A 5 13.702 -32.611 -10.086 1.00 0.00 C ATOM 81 CE1 TYR A 5 11.480 -31.170 -10.995 1.00 0.00 C ATOM 82 CE2 TYR A 5 12.483 -33.266 -10.303 1.00 0.00 C ATOM 83 CZ TYR A 5 11.373 -32.546 -10.757 1.00 0.00 C ATOM 84 OH TYR A 5 10.172 -33.191 -10.971 1.00 0.00 O ATOM 0 H TYR A 5 17.173 -30.066 -8.699 1.00 0.00 H new ATOM 0 HA TYR A 5 14.497 -28.915 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 5 15.305 -29.803 -10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 5 15.944 -31.246 -10.117 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.780 -29.454 -10.959 1.00 0.00 H new ATOM 0 HD2 TYR A 5 14.559 -33.167 -9.736 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.623 -30.614 -11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.400 -34.327 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 5 10.270 -34.143 -10.759 1.00 0.00 H new ATOM 94 N VAL A 6 15.236 -31.644 -7.127 1.00 0.00 N ATOM 95 CA VAL A 6 14.727 -32.575 -6.126 1.00 0.00 C ATOM 96 C VAL A 6 14.478 -31.857 -4.804 1.00 0.00 C ATOM 97 O VAL A 6 13.738 -32.346 -3.951 1.00 0.00 O ATOM 98 CB VAL A 6 15.729 -33.710 -5.912 1.00 0.00 C ATOM 99 CG1 VAL A 6 15.100 -34.786 -5.023 1.00 0.00 C ATOM 100 CG2 VAL A 6 16.102 -34.321 -7.265 1.00 0.00 C ATOM 0 H VAL A 6 16.228 -31.747 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 6 13.784 -32.986 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 6 16.624 -33.318 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.814 -35.595 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.833 -34.352 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.205 -35.179 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.816 -35.130 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.206 -34.713 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.550 -33.556 -7.899 1.00 0.00 H new ATOM 110 N THR A 7 15.098 -30.692 -4.642 1.00 0.00 N ATOM 111 CA THR A 7 14.932 -29.916 -3.417 1.00 0.00 C ATOM 112 C THR A 7 13.813 -28.895 -3.582 1.00 0.00 C ATOM 113 O THR A 7 13.122 -28.556 -2.622 1.00 0.00 O ATOM 114 CB THR A 7 16.237 -29.199 -3.071 1.00 0.00 C ATOM 115 OG1 THR A 7 16.762 -28.583 -4.238 1.00 0.00 O ATOM 116 CG2 THR A 7 17.247 -30.209 -2.527 1.00 0.00 C ATOM 0 H THR A 7 15.714 -30.268 -5.336 1.00 0.00 H new ATOM 0 HA THR A 7 14.670 -30.598 -2.608 1.00 0.00 H new ATOM 0 HB THR A 7 16.044 -28.438 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.312 -29.228 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.177 -29.697 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.844 -30.680 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.441 -30.971 -3.281 1.00 0.00 H new ATOM 124 N ASP A 8 13.640 -28.410 -4.807 1.00 0.00 N ATOM 125 CA ASP A 8 12.600 -27.428 -5.089 1.00 0.00 C ATOM 126 C ASP A 8 11.224 -28.065 -4.969 1.00 0.00 C ATOM 127 O ASP A 8 10.221 -27.380 -4.771 1.00 0.00 O ATOM 128 CB ASP A 8 12.784 -26.858 -6.497 1.00 0.00 C ATOM 129 CG ASP A 8 11.807 -25.710 -6.727 1.00 0.00 C ATOM 130 OD1 ASP A 8 11.801 -24.794 -5.920 1.00 0.00 O ATOM 131 OD2 ASP A 8 11.080 -25.763 -7.705 1.00 0.00 O ATOM 0 H ASP A 8 14.202 -28.678 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 8 12.680 -26.620 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.808 -26.506 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.621 -27.640 -7.239 1.00 0.00 H new ATOM 136 N TYR A 9 11.192 -29.381 -5.090 1.00 0.00 N ATOM 137 CA TYR A 9 9.941 -30.123 -4.996 1.00 0.00 C ATOM 138 C TYR A 9 9.432 -30.135 -3.559 1.00 0.00 C ATOM 139 O TYR A 9 8.304 -30.550 -3.293 1.00 0.00 O ATOM 140 CB TYR A 9 10.150 -31.560 -5.479 1.00 0.00 C ATOM 141 CG TYR A 9 8.848 -32.320 -5.378 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.807 -32.046 -6.272 1.00 0.00 C ATOM 143 CD2 TYR A 9 8.685 -33.303 -4.393 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.602 -32.752 -6.181 1.00 0.00 C ATOM 145 CE2 TYR A 9 7.480 -34.009 -4.303 1.00 0.00 C ATOM 146 CZ TYR A 9 6.438 -33.733 -5.197 1.00 0.00 C ATOM 147 OH TYR A 9 5.249 -34.430 -5.107 1.00 0.00 O ATOM 0 H TYR A 9 12.016 -29.960 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 9 9.200 -29.632 -5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 9 10.505 -31.561 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.916 -32.049 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.933 -31.290 -7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.489 -33.516 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.798 -32.539 -6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.354 -34.767 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 9 5.303 -35.075 -4.371 1.00 0.00 H new ATOM 157 N LEU A 10 10.270 -29.678 -2.634 1.00 0.00 N ATOM 158 CA LEU A 10 9.894 -29.642 -1.226 1.00 0.00 C ATOM 159 C LEU A 10 9.715 -28.203 -0.755 1.00 0.00 C ATOM 160 O LEU A 10 9.869 -27.904 0.429 1.00 0.00 O ATOM 161 CB LEU A 10 10.967 -30.329 -0.380 1.00 0.00 C ATOM 162 CG LEU A 10 10.950 -31.833 -0.654 1.00 0.00 C ATOM 163 CD1 LEU A 10 12.111 -32.196 -1.582 1.00 0.00 C ATOM 164 CD2 LEU A 10 11.097 -32.594 0.666 1.00 0.00 C ATOM 0 H LEU A 10 11.208 -29.330 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 10 8.948 -30.170 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.949 -29.917 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.787 -30.140 0.678 1.00 0.00 H new ATOM 0 HG LEU A 10 10.007 -32.105 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 12.099 -33.268 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.008 -31.655 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.054 -31.924 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.085 -33.666 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.040 -32.322 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.271 -32.336 1.328 1.00 0.00 H new ATOM 176 N ASP A 11 9.386 -27.316 -1.689 1.00 0.00 N ATOM 177 CA ASP A 11 9.185 -25.913 -1.360 1.00 0.00 C ATOM 178 C ASP A 11 7.939 -25.379 -2.057 1.00 0.00 C ATOM 179 O ASP A 11 7.792 -25.505 -3.273 1.00 0.00 O ATOM 180 CB ASP A 11 10.405 -25.095 -1.789 1.00 0.00 C ATOM 181 CG ASP A 11 10.891 -24.233 -0.628 1.00 0.00 C ATOM 182 OD1 ASP A 11 10.072 -23.879 0.204 1.00 0.00 O ATOM 183 OD2 ASP A 11 12.074 -23.939 -0.591 1.00 0.00 O ATOM 0 H ASP A 11 9.254 -27.544 -2.674 1.00 0.00 H new ATOM 0 HA ASP A 11 9.053 -25.824 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.203 -25.762 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.148 -24.463 -2.639 1.00 0.00 H new ATOM 188 N VAL A 12 7.048 -24.784 -1.278 1.00 0.00 N ATOM 189 CA VAL A 12 5.813 -24.229 -1.824 1.00 0.00 C ATOM 190 C VAL A 12 6.109 -23.363 -3.045 1.00 0.00 C ATOM 191 O VAL A 12 7.168 -22.744 -3.137 1.00 0.00 O ATOM 192 CB VAL A 12 5.106 -23.390 -0.759 1.00 0.00 C ATOM 193 CG1 VAL A 12 4.582 -24.305 0.352 1.00 0.00 C ATOM 194 CG2 VAL A 12 6.097 -22.385 -0.166 1.00 0.00 C ATOM 0 H VAL A 12 7.154 -24.672 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 12 5.167 -25.053 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 12 4.270 -22.857 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.078 -23.705 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.878 -25.023 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.416 -24.839 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.596 -21.785 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.931 -22.921 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.470 -21.733 -0.956 1.00 0.00 H new ATOM 204 N PRO A 13 5.194 -23.313 -3.977 1.00 0.00 N ATOM 205 CA PRO A 13 5.354 -22.505 -5.222 1.00 0.00 C ATOM 206 C PRO A 13 5.372 -21.005 -4.935 1.00 0.00 C ATOM 207 O PRO A 13 4.719 -20.533 -4.005 1.00 0.00 O ATOM 208 CB PRO A 13 4.137 -22.885 -6.070 1.00 0.00 C ATOM 209 CG PRO A 13 3.126 -23.414 -5.108 1.00 0.00 C ATOM 210 CD PRO A 13 3.906 -24.020 -3.944 1.00 0.00 C ATOM 0 HA PRO A 13 6.302 -22.710 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.750 -22.021 -6.609 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.398 -23.635 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.468 -22.617 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.494 -24.164 -5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.391 -23.868 -2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.037 -25.095 -4.067 1.00 0.00 H new ATOM 218 N SER A 14 6.124 -20.264 -5.742 1.00 0.00 N ATOM 219 CA SER A 14 6.223 -18.820 -5.568 1.00 0.00 C ATOM 220 C SER A 14 4.910 -18.143 -5.945 1.00 0.00 C ATOM 221 O SER A 14 4.706 -16.961 -5.664 1.00 0.00 O ATOM 222 CB SER A 14 7.356 -18.263 -6.431 1.00 0.00 C ATOM 223 OG SER A 14 6.828 -17.831 -7.678 1.00 0.00 O ATOM 0 H SER A 14 6.671 -20.637 -6.518 1.00 0.00 H new ATOM 0 HA SER A 14 6.435 -18.615 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.842 -17.431 -5.921 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.117 -19.027 -6.590 1.00 0.00 H new ATOM 0 HG SER A 14 7.552 -17.472 -8.233 1.00 0.00 H new ATOM 229 N ASN A 15 4.021 -18.899 -6.577 1.00 0.00 N ATOM 230 CA ASN A 15 2.733 -18.356 -6.980 1.00 0.00 C ATOM 231 C ASN A 15 2.017 -17.772 -5.770 1.00 0.00 C ATOM 232 O ASN A 15 1.239 -16.825 -5.893 1.00 0.00 O ATOM 233 CB ASN A 15 1.875 -19.456 -7.608 1.00 0.00 C ATOM 234 CG ASN A 15 0.826 -18.842 -8.529 1.00 0.00 C ATOM 235 OD1 ASN A 15 -0.373 -18.985 -8.289 1.00 0.00 O ATOM 236 ND2 ASN A 15 1.207 -18.164 -9.577 1.00 0.00 N ATOM 0 H ASN A 15 4.167 -19.879 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 15 2.895 -17.568 -7.715 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.506 -20.144 -8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.387 -20.038 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.511 -17.752 -10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.201 -18.046 -9.775 1.00 0.00 H new ATOM 243 N ILE A 16 2.294 -18.335 -4.597 1.00 0.00 N ATOM 244 CA ILE A 16 1.678 -17.848 -3.369 1.00 0.00 C ATOM 245 C ILE A 16 2.360 -16.572 -2.918 1.00 0.00 C ATOM 246 O ILE A 16 1.802 -15.782 -2.161 1.00 0.00 O ATOM 247 CB ILE A 16 1.768 -18.909 -2.269 1.00 0.00 C ATOM 248 CG1 ILE A 16 1.240 -20.242 -2.804 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.928 -18.472 -1.067 1.00 0.00 C ATOM 250 CD1 ILE A 16 1.342 -21.308 -1.712 1.00 0.00 C ATOM 0 H ILE A 16 2.934 -19.120 -4.472 1.00 0.00 H new ATOM 0 HA ILE A 16 0.626 -17.639 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 16 2.807 -19.026 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.204 -20.132 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.813 -20.547 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.992 -19.228 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.304 -17.522 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.112 -18.354 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.966 -22.257 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.384 -21.424 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.749 -21.003 -0.850 1.00 0.00 H new ATOM 262 N ALA A 17 3.565 -16.388 -3.409 1.00 0.00 N ATOM 263 CA ALA A 17 4.355 -15.204 -3.089 1.00 0.00 C ATOM 264 C ALA A 17 3.847 -14.007 -3.879 1.00 0.00 C ATOM 265 O ALA A 17 4.004 -12.857 -3.467 1.00 0.00 O ATOM 266 CB ALA A 17 5.822 -15.452 -3.431 1.00 0.00 C ATOM 0 H ALA A 17 4.029 -17.045 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 17 4.260 -14.997 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.407 -14.564 -3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.192 -16.299 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.916 -15.670 -4.495 1.00 0.00 H new ATOM 272 N LYS A 18 3.230 -14.297 -5.016 1.00 0.00 N ATOM 273 CA LYS A 18 2.682 -13.258 -5.875 1.00 0.00 C ATOM 274 C LYS A 18 1.251 -12.982 -5.466 1.00 0.00 C ATOM 275 O LYS A 18 0.741 -11.873 -5.617 1.00 0.00 O ATOM 276 CB LYS A 18 2.729 -13.701 -7.340 1.00 0.00 C ATOM 277 CG LYS A 18 2.525 -12.486 -8.249 1.00 0.00 C ATOM 278 CD LYS A 18 2.633 -12.917 -9.713 1.00 0.00 C ATOM 279 CE LYS A 18 4.107 -13.058 -10.098 1.00 0.00 C ATOM 280 NZ LYS A 18 4.454 -12.031 -11.121 1.00 0.00 N ATOM 0 H LYS A 18 3.096 -15.246 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 18 3.277 -12.351 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.687 -14.174 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.956 -14.445 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.549 -12.039 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.272 -11.724 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.115 -13.864 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.147 -12.183 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.737 -12.937 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.297 -14.057 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.456 -12.127 -11.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.861 -12.167 -11.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.287 -11.082 -10.730 1.00 0.00 H new ATOM 294 N ILE A 19 0.623 -14.012 -4.922 1.00 0.00 N ATOM 295 CA ILE A 19 -0.746 -13.902 -4.454 1.00 0.00 C ATOM 296 C ILE A 19 -0.742 -13.333 -3.046 1.00 0.00 C ATOM 297 O ILE A 19 -1.753 -12.824 -2.562 1.00 0.00 O ATOM 298 CB ILE A 19 -1.415 -15.278 -4.457 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.658 -15.726 -5.902 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.750 -15.202 -3.715 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.541 -14.701 -6.618 1.00 0.00 C ATOM 0 H ILE A 19 1.041 -14.934 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.306 -13.242 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.765 -15.997 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.708 -15.830 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.137 -16.705 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.225 -16.183 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.577 -14.886 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.401 -14.482 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.712 -15.023 -7.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.496 -14.619 -6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.044 -13.731 -6.619 1.00 0.00 H new ATOM 313 N ILE A 20 0.415 -13.425 -2.395 1.00 0.00 N ATOM 314 CA ILE A 20 0.552 -12.910 -1.034 1.00 0.00 C ATOM 315 C ILE A 20 1.033 -11.461 -1.048 1.00 0.00 C ATOM 316 O ILE A 20 0.582 -10.640 -0.249 1.00 0.00 O ATOM 317 CB ILE A 20 1.541 -13.767 -0.239 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.820 -14.995 0.329 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.130 -12.943 0.909 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.297 -14.553 1.281 1.00 0.00 C ATOM 0 H ILE A 20 1.261 -13.845 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.428 -12.952 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 20 2.345 -14.093 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.403 -15.590 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.530 -15.631 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.833 -13.556 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.649 -12.074 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.328 -12.612 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.804 -15.432 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.131 -13.977 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.013 -13.935 0.739 1.00 0.00 H new ATOM 332 N ILE A 21 1.952 -11.154 -1.957 1.00 0.00 N ATOM 333 CA ILE A 21 2.488 -9.801 -2.060 1.00 0.00 C ATOM 334 C ILE A 21 1.586 -8.927 -2.925 1.00 0.00 C ATOM 335 O ILE A 21 1.346 -7.764 -2.609 1.00 0.00 O ATOM 336 CB ILE A 21 3.893 -9.845 -2.668 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.660 -8.570 -2.294 1.00 0.00 C ATOM 338 CG2 ILE A 21 3.784 -9.943 -4.191 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.878 -8.938 -1.445 1.00 0.00 C ATOM 0 H ILE A 21 2.339 -11.817 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 21 2.534 -9.372 -1.059 1.00 0.00 H new ATOM 0 HB ILE A 21 4.426 -10.713 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.977 -8.046 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.010 -7.891 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.783 -9.974 -4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.243 -10.850 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.249 -9.074 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.423 -8.032 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.549 -9.443 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.531 -9.601 -2.013 1.00 0.00 H new ATOM 351 N GLY A 22 1.093 -9.496 -4.020 1.00 0.00 N ATOM 352 CA GLY A 22 0.222 -8.761 -4.929 1.00 0.00 C ATOM 353 C GLY A 22 -0.683 -7.792 -4.174 1.00 0.00 C ATOM 354 O GLY A 22 -0.719 -6.599 -4.474 1.00 0.00 O ATOM 0 H GLY A 22 1.281 -10.459 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.827 -8.210 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.388 -9.463 -5.497 1.00 0.00 H new ATOM 358 N PRO A 23 -1.415 -8.284 -3.210 1.00 0.00 N ATOM 359 CA PRO A 23 -2.348 -7.449 -2.399 1.00 0.00 C ATOM 360 C PRO A 23 -1.661 -6.229 -1.786 1.00 0.00 C ATOM 361 O PRO A 23 -2.243 -5.146 -1.726 1.00 0.00 O ATOM 362 CB PRO A 23 -2.844 -8.399 -1.305 1.00 0.00 C ATOM 363 CG PRO A 23 -2.623 -9.778 -1.836 1.00 0.00 C ATOM 364 CD PRO A 23 -1.432 -9.694 -2.789 1.00 0.00 C ATOM 0 HA PRO A 23 -3.152 -7.040 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.296 -8.245 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.898 -8.228 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.421 -10.478 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.510 -10.140 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.503 -9.974 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.553 -10.364 -3.640 1.00 0.00 H new ATOM 372 N LEU A 24 -0.427 -6.410 -1.326 1.00 0.00 N ATOM 373 CA LEU A 24 0.312 -5.310 -0.716 1.00 0.00 C ATOM 374 C LEU A 24 0.933 -4.417 -1.780 1.00 0.00 C ATOM 375 O LEU A 24 0.937 -3.193 -1.652 1.00 0.00 O ATOM 376 CB LEU A 24 1.405 -5.856 0.208 1.00 0.00 C ATOM 377 CG LEU A 24 1.114 -5.441 1.652 1.00 0.00 C ATOM 378 CD1 LEU A 24 -0.094 -6.220 2.175 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.333 -5.749 2.525 1.00 0.00 C ATOM 0 H LEU A 24 0.077 -7.296 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.388 -4.714 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.448 -6.943 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.379 -5.476 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 24 0.900 -4.373 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.300 -5.924 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.963 -6.004 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.120 -7.288 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.127 -5.454 3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.545 -6.818 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.195 -5.195 2.154 1.00 0.00 H new ATOM 391 N ILE A 25 1.444 -5.031 -2.836 1.00 0.00 N ATOM 392 CA ILE A 25 2.046 -4.273 -3.919 1.00 0.00 C ATOM 393 C ILE A 25 1.087 -3.176 -4.357 1.00 0.00 C ATOM 394 O ILE A 25 1.503 -2.094 -4.772 1.00 0.00 O ATOM 395 CB ILE A 25 2.367 -5.205 -5.094 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.736 -4.839 -5.670 1.00 0.00 C ATOM 397 CG2 ILE A 25 1.303 -5.070 -6.189 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.835 -5.508 -4.842 1.00 0.00 C ATOM 0 H ILE A 25 1.454 -6.043 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 25 2.975 -3.819 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 25 2.376 -6.235 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.803 -5.161 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.868 -3.757 -5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.545 -5.738 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.327 -5.335 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.279 -4.041 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.810 -5.247 -5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.773 -5.165 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.706 -6.590 -4.873 1.00 0.00 H new ATOM 410 N PHE A 26 -0.203 -3.474 -4.261 1.00 0.00 N ATOM 411 CA PHE A 26 -1.231 -2.516 -4.649 1.00 0.00 C ATOM 412 C PHE A 26 -1.236 -1.323 -3.700 1.00 0.00 C ATOM 413 O PHE A 26 -1.238 -0.172 -4.136 1.00 0.00 O ATOM 414 CB PHE A 26 -2.603 -3.190 -4.639 1.00 0.00 C ATOM 415 CG PHE A 26 -2.757 -4.034 -5.882 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.771 -3.426 -7.143 1.00 0.00 C ATOM 417 CD2 PHE A 26 -2.885 -5.423 -5.775 1.00 0.00 C ATOM 418 CE1 PHE A 26 -2.912 -4.207 -8.296 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.026 -6.205 -6.927 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.040 -5.597 -8.188 1.00 0.00 C ATOM 0 H PHE A 26 -0.561 -4.366 -3.920 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.011 -2.161 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.709 -3.811 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.390 -2.437 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.673 -2.354 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.875 -5.892 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.922 -3.738 -9.269 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.124 -7.277 -6.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.150 -6.200 -9.077 1.00 0.00 H new ATOM 430 N VAL A 27 -1.234 -1.606 -2.401 1.00 0.00 N ATOM 431 CA VAL A 27 -1.235 -0.545 -1.402 1.00 0.00 C ATOM 432 C VAL A 27 0.056 0.263 -1.486 1.00 0.00 C ATOM 433 O VAL A 27 0.065 1.468 -1.237 1.00 0.00 O ATOM 434 CB VAL A 27 -1.376 -1.144 -0.002 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.263 -0.033 1.042 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.741 -1.825 0.123 1.00 0.00 C ATOM 0 H VAL A 27 -1.232 -2.552 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.080 0.115 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.586 -1.877 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.364 -0.460 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.292 0.454 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.053 0.700 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.844 -2.253 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.530 -1.091 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.822 -2.617 -0.622 1.00 0.00 H new ATOM 446 N PHE A 28 1.144 -0.411 -1.846 1.00 0.00 N ATOM 447 CA PHE A 28 2.436 0.254 -1.969 1.00 0.00 C ATOM 448 C PHE A 28 2.443 1.167 -3.189 1.00 0.00 C ATOM 449 O PHE A 28 3.002 2.263 -3.156 1.00 0.00 O ATOM 450 CB PHE A 28 3.550 -0.787 -2.098 1.00 0.00 C ATOM 451 CG PHE A 28 4.840 -0.102 -2.482 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.164 0.071 -3.833 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.711 0.359 -1.488 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.360 0.706 -4.189 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.907 0.993 -1.844 1.00 0.00 C ATOM 456 CZ PHE A 28 7.231 1.167 -3.195 1.00 0.00 C ATOM 0 H PHE A 28 1.157 -1.409 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 28 2.607 0.854 -1.075 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.676 -1.319 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.283 -1.530 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.492 -0.285 -4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.460 0.225 -0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.611 0.840 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.580 1.348 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.153 1.657 -3.470 1.00 0.00 H new ATOM 466 N LEU A 29 1.808 0.708 -4.264 1.00 0.00 N ATOM 467 CA LEU A 29 1.738 1.493 -5.490 1.00 0.00 C ATOM 468 C LEU A 29 0.889 2.737 -5.266 1.00 0.00 C ATOM 469 O LEU A 29 1.172 3.804 -5.814 1.00 0.00 O ATOM 470 CB LEU A 29 1.128 0.651 -6.614 1.00 0.00 C ATOM 471 CG LEU A 29 1.770 1.034 -7.949 1.00 0.00 C ATOM 472 CD1 LEU A 29 2.899 0.054 -8.272 1.00 0.00 C ATOM 473 CD2 LEU A 29 0.715 0.975 -9.056 1.00 0.00 C ATOM 0 H LEU A 29 1.338 -0.196 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 29 2.747 1.795 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.285 -0.409 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.051 0.811 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 29 2.173 2.044 -7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.356 0.327 -9.223 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.651 0.092 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.496 -0.956 -8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.171 1.248 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.313 -0.036 -9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.092 1.671 -8.827 1.00 0.00 H new ATOM 485 N PHE A 30 -0.152 2.593 -4.453 1.00 0.00 N ATOM 486 CA PHE A 30 -1.038 3.711 -4.157 1.00 0.00 C ATOM 487 C PHE A 30 -0.375 4.670 -3.174 1.00 0.00 C ATOM 488 O PHE A 30 -0.488 5.890 -3.310 1.00 0.00 O ATOM 489 CB PHE A 30 -2.350 3.197 -3.563 1.00 0.00 C ATOM 490 CG PHE A 30 -3.384 4.295 -3.612 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.787 4.822 -4.845 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.941 4.787 -2.426 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.745 5.842 -4.891 1.00 0.00 C ATOM 494 CE2 PHE A 30 -4.899 5.807 -2.471 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.301 6.334 -3.704 1.00 0.00 C ATOM 0 H PHE A 30 -0.401 1.719 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.245 4.242 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.699 2.328 -4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.195 2.874 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.359 4.442 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.631 4.379 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.055 6.249 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.327 6.187 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.040 7.120 -3.740 1.00 0.00 H new ATOM 505 N SER A 31 0.315 4.112 -2.186 1.00 0.00 N ATOM 506 CA SER A 31 0.993 4.930 -1.185 1.00 0.00 C ATOM 507 C SER A 31 2.068 5.786 -1.838 1.00 0.00 C ATOM 508 O SER A 31 2.267 6.944 -1.472 1.00 0.00 O ATOM 509 CB SER A 31 1.623 4.035 -0.117 1.00 0.00 C ATOM 510 OG SER A 31 1.458 4.641 1.158 1.00 0.00 O ATOM 0 H SER A 31 0.420 3.106 -2.056 1.00 0.00 H new ATOM 0 HA SER A 31 0.258 5.585 -0.717 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.155 3.051 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.682 3.887 -0.328 1.00 0.00 H new ATOM 0 HG SER A 31 1.859 4.070 1.846 1.00 0.00 H new ATOM 516 N VAL A 32 2.755 5.203 -2.807 1.00 0.00 N ATOM 517 CA VAL A 32 3.813 5.912 -3.518 1.00 0.00 C ATOM 518 C VAL A 32 3.223 7.000 -4.408 1.00 0.00 C ATOM 519 O VAL A 32 3.810 8.071 -4.568 1.00 0.00 O ATOM 520 CB VAL A 32 4.615 4.929 -4.371 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.300 5.683 -5.513 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.676 4.250 -3.503 1.00 0.00 C ATOM 0 H VAL A 32 2.602 4.244 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 32 4.472 6.377 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 32 3.944 4.176 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.872 4.982 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.546 6.169 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.971 6.436 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.249 3.549 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.346 5.004 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.190 3.712 -2.689 1.00 0.00 H new ATOM 532 N VAL A 33 2.062 6.716 -4.991 1.00 0.00 N ATOM 533 CA VAL A 33 1.406 7.677 -5.870 1.00 0.00 C ATOM 534 C VAL A 33 0.941 8.902 -5.087 1.00 0.00 C ATOM 535 O VAL A 33 1.325 10.028 -5.400 1.00 0.00 O ATOM 536 CB VAL A 33 0.206 7.021 -6.552 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.778 8.101 -7.006 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.683 6.224 -7.768 1.00 0.00 C ATOM 0 H VAL A 33 1.560 5.836 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 33 2.126 7.998 -6.623 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.289 6.351 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.634 7.632 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.119 8.670 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.284 8.772 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.173 5.756 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.178 6.894 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.384 5.453 -7.446 1.00 0.00 H new ATOM 548 N ILE A 34 0.112 8.675 -4.072 1.00 0.00 N ATOM 549 CA ILE A 34 -0.405 9.770 -3.254 1.00 0.00 C ATOM 550 C ILE A 34 0.713 10.435 -2.465 1.00 0.00 C ATOM 551 O ILE A 34 0.576 11.569 -2.006 1.00 0.00 O ATOM 552 CB ILE A 34 -1.475 9.250 -2.292 1.00 0.00 C ATOM 553 CG1 ILE A 34 -0.829 8.308 -1.274 1.00 0.00 C ATOM 554 CG2 ILE A 34 -2.544 8.491 -3.079 1.00 0.00 C ATOM 555 CD1 ILE A 34 -1.906 7.753 -0.339 1.00 0.00 C ATOM 0 H ILE A 34 -0.215 7.749 -3.797 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.847 10.510 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.935 10.090 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.322 7.491 -1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.072 8.841 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.306 8.121 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.004 9.160 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.085 7.650 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.447 7.082 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.392 8.576 0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.647 7.206 -0.922 1.00 0.00 H new ATOM 567 N GLY A 35 1.813 9.721 -2.308 1.00 0.00 N ATOM 568 CA GLY A 35 2.951 10.247 -1.568 1.00 0.00 C ATOM 569 C GLY A 35 3.592 11.407 -2.306 1.00 0.00 C ATOM 570 O GLY A 35 3.712 12.511 -1.774 1.00 0.00 O ATOM 0 H GLY A 35 1.945 8.780 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.627 10.575 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.687 9.457 -1.416 1.00 0.00 H new ATOM 574 N SER A 36 3.985 11.151 -3.543 1.00 0.00 N ATOM 575 CA SER A 36 4.596 12.180 -4.363 1.00 0.00 C ATOM 576 C SER A 36 3.554 13.228 -4.695 1.00 0.00 C ATOM 577 O SER A 36 3.873 14.385 -4.967 1.00 0.00 O ATOM 578 CB SER A 36 5.157 11.573 -5.648 1.00 0.00 C ATOM 579 OG SER A 36 6.499 11.161 -5.426 1.00 0.00 O ATOM 0 H SER A 36 3.892 10.243 -3.998 1.00 0.00 H new ATOM 0 HA SER A 36 5.418 12.640 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.550 10.722 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.118 12.303 -6.456 1.00 0.00 H new ATOM 0 HG SER A 36 6.861 10.770 -6.248 1.00 0.00 H new ATOM 585 N ILE A 37 2.297 12.803 -4.667 1.00 0.00 N ATOM 586 CA ILE A 37 1.192 13.711 -4.965 1.00 0.00 C ATOM 587 C ILE A 37 0.974 14.670 -3.799 1.00 0.00 C ATOM 588 O ILE A 37 0.701 15.854 -3.998 1.00 0.00 O ATOM 589 CB ILE A 37 -0.089 12.910 -5.254 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.669 13.351 -6.600 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.134 13.145 -4.156 1.00 0.00 C ATOM 592 CD1 ILE A 37 0.164 12.754 -7.735 1.00 0.00 C ATOM 0 H ILE A 37 2.017 11.848 -4.444 1.00 0.00 H new ATOM 0 HA ILE A 37 1.441 14.294 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 37 0.162 11.850 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.706 13.025 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.670 14.439 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.032 12.569 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.730 12.828 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.384 14.205 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.249 13.068 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.194 13.102 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.142 11.666 -7.669 1.00 0.00 H new ATOM 604 N TYR A 38 1.095 14.147 -2.585 1.00 0.00 N ATOM 605 CA TYR A 38 0.909 14.963 -1.391 1.00 0.00 C ATOM 606 C TYR A 38 1.797 16.202 -1.448 1.00 0.00 C ATOM 607 O TYR A 38 1.372 17.299 -1.087 1.00 0.00 O ATOM 608 CB TYR A 38 1.242 14.145 -0.139 1.00 0.00 C ATOM 609 CG TYR A 38 0.051 14.126 0.789 1.00 0.00 C ATOM 610 CD1 TYR A 38 -0.442 15.325 1.318 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.561 12.911 1.121 1.00 0.00 C ATOM 612 CE1 TYR A 38 -1.547 15.309 2.178 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.665 12.896 1.981 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.159 14.095 2.509 1.00 0.00 C ATOM 615 OH TYR A 38 -3.247 14.078 3.357 1.00 0.00 O ATOM 0 H TYR A 38 1.319 13.169 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.133 15.279 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.513 13.127 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.105 14.576 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.030 16.262 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.181 11.986 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.927 16.234 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.136 11.959 2.238 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.551 13.155 3.481 1.00 0.00 H new ATOM 625 N LEU A 39 3.032 16.019 -1.904 1.00 0.00 N ATOM 626 CA LEU A 39 3.969 17.132 -2.003 1.00 0.00 C ATOM 627 C LEU A 39 3.330 18.302 -2.742 1.00 0.00 C ATOM 628 O LEU A 39 3.420 19.450 -2.305 1.00 0.00 O ATOM 629 CB LEU A 39 5.233 16.687 -2.740 1.00 0.00 C ATOM 630 CG LEU A 39 6.449 17.394 -2.139 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.727 16.841 -2.773 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.351 18.896 -2.417 1.00 0.00 C ATOM 0 H LEU A 39 3.405 15.120 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 39 4.233 17.453 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.351 15.606 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.150 16.922 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 39 6.475 17.222 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.593 17.345 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.796 15.771 -2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.703 17.013 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.217 19.402 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.326 19.066 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.441 19.291 -1.966 1.00 0.00 H new ATOM 644 N PHE A 40 2.684 18.006 -3.865 1.00 0.00 N ATOM 645 CA PHE A 40 2.032 19.042 -4.658 1.00 0.00 C ATOM 646 C PHE A 40 0.799 19.573 -3.934 1.00 0.00 C ATOM 647 O PHE A 40 0.323 20.670 -4.222 1.00 0.00 O ATOM 648 CB PHE A 40 1.622 18.477 -6.020 1.00 0.00 C ATOM 649 CG PHE A 40 1.716 19.563 -7.065 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.678 20.492 -7.204 1.00 0.00 C ATOM 651 CD2 PHE A 40 2.840 19.639 -7.896 1.00 0.00 C ATOM 652 CE1 PHE A 40 0.763 21.499 -8.174 1.00 0.00 C ATOM 653 CE2 PHE A 40 2.926 20.646 -8.866 1.00 0.00 C ATOM 654 CZ PHE A 40 1.888 21.576 -9.006 1.00 0.00 C ATOM 0 H PHE A 40 2.598 17.063 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 40 2.737 19.861 -4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.269 17.642 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.604 18.090 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.189 20.432 -6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.640 18.922 -7.789 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.038 22.216 -8.281 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.794 20.705 -9.507 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.955 22.352 -9.754 1.00 0.00 H new ATOM 664 N LEU A 41 0.287 18.784 -2.993 1.00 0.00 N ATOM 665 CA LEU A 41 -0.892 19.184 -2.234 1.00 0.00 C ATOM 666 C LEU A 41 -0.562 20.337 -1.298 1.00 0.00 C ATOM 667 O LEU A 41 -1.453 20.977 -0.739 1.00 0.00 O ATOM 668 CB LEU A 41 -1.425 18.000 -1.426 1.00 0.00 C ATOM 669 CG LEU A 41 -2.917 18.201 -1.150 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.732 17.676 -2.333 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.308 17.437 0.117 1.00 0.00 C ATOM 0 H LEU A 41 0.667 17.872 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.657 19.512 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.268 17.071 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.879 17.912 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.120 19.263 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.794 17.820 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.454 18.220 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.529 16.614 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.370 17.579 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.104 16.375 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.729 17.811 0.961 1.00 0.00 H new ATOM 683 N ARG A 42 0.724 20.592 -1.137 1.00 0.00 N ATOM 684 CA ARG A 42 1.180 21.670 -0.266 1.00 0.00 C ATOM 685 C ARG A 42 0.932 23.027 -0.918 1.00 0.00 C ATOM 686 O ARG A 42 1.135 24.070 -0.297 1.00 0.00 O ATOM 687 CB ARG A 42 2.673 21.508 0.028 1.00 0.00 C ATOM 688 CG ARG A 42 2.923 20.136 0.657 1.00 0.00 C ATOM 689 CD ARG A 42 4.391 20.025 1.074 1.00 0.00 C ATOM 690 NE ARG A 42 4.520 20.188 2.516 1.00 0.00 N ATOM 691 CZ ARG A 42 3.963 19.324 3.358 1.00 0.00 C ATOM 692 NH1 ARG A 42 3.289 18.305 2.897 1.00 0.00 N ATOM 693 NH2 ARG A 42 4.091 19.492 4.646 1.00 0.00 N ATOM 0 H ARG A 42 1.472 20.071 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 42 0.619 21.620 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.249 21.608 -0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.009 22.296 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.276 19.998 1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.675 19.348 -0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.789 19.056 0.774 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.980 20.785 0.561 1.00 0.00 H new ATOM 0 HE ARG A 42 5.047 20.979 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.190 18.172 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.861 17.642 3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.619 20.287 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.663 18.828 5.292 1.00 0.00 H new ATOM 707 N LYS A 43 0.490 23.003 -2.171 1.00 0.00 N ATOM 708 CA LYS A 43 0.216 24.239 -2.895 1.00 0.00 C ATOM 709 C LYS A 43 -1.131 24.817 -2.474 1.00 0.00 C ATOM 710 O LYS A 43 -1.819 25.456 -3.271 1.00 0.00 O ATOM 711 CB LYS A 43 0.210 23.971 -4.402 1.00 0.00 C ATOM 712 CG LYS A 43 1.601 24.242 -4.976 1.00 0.00 C ATOM 713 CD LYS A 43 2.644 23.457 -4.178 1.00 0.00 C ATOM 714 CE LYS A 43 3.811 23.086 -5.093 1.00 0.00 C ATOM 715 NZ LYS A 43 3.293 22.378 -6.298 1.00 0.00 N ATOM 0 H LYS A 43 0.315 22.150 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 43 0.999 24.959 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.080 22.939 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.527 24.607 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.636 23.951 -6.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.822 25.308 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.001 24.054 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.195 22.556 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.353 23.984 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.517 22.449 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.004 21.696 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.417 21.874 -6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.097 23.070 -7.049 1.00 0.00 H new ATOM 729 N ARG A 44 -1.500 24.588 -1.219 1.00 0.00 N ATOM 730 CA ARG A 44 -2.767 25.091 -0.702 1.00 0.00 C ATOM 731 C ARG A 44 -2.837 26.609 -0.835 1.00 0.00 C ATOM 732 O ARG A 44 -2.399 27.340 0.054 1.00 0.00 O ATOM 733 CB ARG A 44 -2.925 24.695 0.767 1.00 0.00 C ATOM 734 CG ARG A 44 -1.560 24.736 1.456 1.00 0.00 C ATOM 735 CD ARG A 44 -1.751 25.014 2.949 1.00 0.00 C ATOM 736 NE ARG A 44 -1.851 26.448 3.185 1.00 0.00 N ATOM 737 CZ ARG A 44 -2.572 26.931 4.191 1.00 0.00 C ATOM 738 NH1 ARG A 44 -3.202 26.117 4.994 1.00 0.00 N ATOM 739 NH2 ARG A 44 -2.648 28.221 4.378 1.00 0.00 N ATOM 0 H ARG A 44 -0.945 24.061 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.576 24.651 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.616 25.374 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.352 23.695 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.041 23.788 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.937 25.510 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.652 24.516 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.914 24.603 3.513 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.359 27.093 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.141 25.109 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.755 26.489 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.154 28.857 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.201 28.593 5.150 1.00 0.00 H new ATOM 753 N GLN A 45 -3.390 27.078 -1.950 1.00 0.00 N ATOM 754 CA GLN A 45 -3.512 28.511 -2.187 1.00 0.00 C ATOM 755 C GLN A 45 -4.269 29.181 -1.044 1.00 0.00 C ATOM 756 O GLN A 45 -3.847 30.216 -0.528 1.00 0.00 O ATOM 757 CB GLN A 45 -4.249 28.761 -3.506 1.00 0.00 C ATOM 758 CG GLN A 45 -3.401 29.663 -4.406 1.00 0.00 C ATOM 759 CD GLN A 45 -2.989 30.919 -3.647 1.00 0.00 C ATOM 760 OE1 GLN A 45 -3.585 31.250 -2.622 1.00 0.00 O ATOM 761 NE2 GLN A 45 -1.998 31.643 -4.091 1.00 0.00 N ATOM 0 H GLN A 45 -3.758 26.491 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.511 28.938 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.449 27.814 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.214 29.228 -3.312 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.515 29.125 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.966 29.936 -5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.505 31.367 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.716 32.485 -3.588 1.00 0.00 H new ATOM 770 N PRO A 46 -5.372 28.608 -0.648 1.00 0.00 N ATOM 771 CA PRO A 46 -6.213 29.154 0.457 1.00 0.00 C ATOM 772 C PRO A 46 -5.400 29.418 1.721 1.00 0.00 C ATOM 773 O PRO A 46 -4.885 28.488 2.344 1.00 0.00 O ATOM 774 CB PRO A 46 -7.259 28.062 0.699 1.00 0.00 C ATOM 775 CG PRO A 46 -7.320 27.276 -0.570 1.00 0.00 C ATOM 776 CD PRO A 46 -5.937 27.375 -1.213 1.00 0.00 C ATOM 0 HA PRO A 46 -6.652 30.117 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.977 27.428 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.230 28.495 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.580 26.237 -0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.086 27.674 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.322 26.507 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.004 27.428 -2.300 1.00 0.00 H new ATOM 784 N ASP A 47 -5.283 30.689 2.092 1.00 0.00 N ATOM 785 CA ASP A 47 -4.529 31.065 3.274 1.00 0.00 C ATOM 786 C ASP A 47 -5.221 30.573 4.534 1.00 0.00 C ATOM 787 O ASP A 47 -5.255 31.260 5.554 1.00 0.00 O ATOM 788 CB ASP A 47 -4.351 32.583 3.334 1.00 0.00 C ATOM 789 CG ASP A 47 -2.927 32.923 3.764 1.00 0.00 C ATOM 790 OD1 ASP A 47 -2.543 32.518 4.848 1.00 0.00 O ATOM 791 OD2 ASP A 47 -2.241 33.583 3.000 1.00 0.00 O ATOM 0 H ASP A 47 -5.701 31.472 1.590 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.547 30.596 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.560 33.021 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.065 33.014 4.036 1.00 0.00 H new ATOM 796 N GLY A 48 -5.771 29.375 4.445 1.00 0.00 N ATOM 797 CA GLY A 48 -6.469 28.774 5.574 1.00 0.00 C ATOM 798 C GLY A 48 -7.924 29.227 5.616 1.00 0.00 C ATOM 799 O GLY A 48 -8.342 30.084 4.838 1.00 0.00 O ATOM 0 H GLY A 48 -5.749 28.797 3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.424 27.688 5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.971 29.050 6.504 1.00 0.00 H new ATOM 803 N PRO A 49 -8.693 28.666 6.508 1.00 0.00 N ATOM 804 CA PRO A 49 -10.134 29.010 6.664 1.00 0.00 C ATOM 805 C PRO A 49 -10.377 30.517 6.597 1.00 0.00 C ATOM 806 O PRO A 49 -9.441 31.298 6.427 1.00 0.00 O ATOM 807 CB PRO A 49 -10.482 28.456 8.046 1.00 0.00 C ATOM 808 CG PRO A 49 -9.537 27.321 8.265 1.00 0.00 C ATOM 809 CD PRO A 49 -8.267 27.639 7.470 1.00 0.00 C ATOM 0 HA PRO A 49 -10.748 28.594 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.366 29.219 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.518 28.119 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.310 27.206 9.325 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.977 26.382 7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.472 28.006 8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.882 26.754 6.964 1.00 0.00 H new ATOM 817 N LEU A 50 -11.639 30.914 6.728 1.00 0.00 N ATOM 818 CA LEU A 50 -11.993 32.329 6.678 1.00 0.00 C ATOM 819 C LEU A 50 -12.309 32.852 8.076 1.00 0.00 C ATOM 820 O LEU A 50 -13.467 32.877 8.492 1.00 0.00 O ATOM 821 CB LEU A 50 -13.207 32.531 5.767 1.00 0.00 C ATOM 822 CG LEU A 50 -12.905 33.624 4.739 1.00 0.00 C ATOM 823 CD1 LEU A 50 -12.532 34.921 5.462 1.00 0.00 C ATOM 824 CD2 LEU A 50 -11.738 33.182 3.848 1.00 0.00 C ATOM 0 H LEU A 50 -12.428 30.282 6.868 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.144 32.884 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.452 31.598 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.078 32.808 6.361 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.788 33.794 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.317 35.698 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.362 35.237 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.650 34.752 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.524 33.961 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.855 33.010 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.004 32.261 3.330 1.00 0.00 H new ATOM 836 N GLU A 51 -11.273 33.270 8.796 1.00 0.00 N ATOM 837 CA GLU A 51 -11.454 33.791 10.146 1.00 0.00 C ATOM 838 C GLU A 51 -11.006 35.247 10.222 1.00 0.00 C ATOM 839 O GLU A 51 -9.849 35.564 9.948 1.00 0.00 O ATOM 840 CB GLU A 51 -10.647 32.954 11.139 1.00 0.00 C ATOM 841 CG GLU A 51 -10.906 33.460 12.560 1.00 0.00 C ATOM 842 CD GLU A 51 -12.330 33.117 12.984 1.00 0.00 C ATOM 843 OE1 GLU A 51 -13.035 32.516 12.191 1.00 0.00 O ATOM 844 OE2 GLU A 51 -12.693 33.460 14.097 1.00 0.00 O ATOM 0 H GLU A 51 -10.306 33.259 8.470 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.513 33.735 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.928 31.904 11.058 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.584 33.019 10.906 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.193 33.009 13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.754 34.538 12.604 1.00 0.00 H new ATOM 851 N HIS A 52 -11.929 36.127 10.598 1.00 0.00 N ATOM 852 CA HIS A 52 -11.615 37.548 10.706 1.00 0.00 C ATOM 853 C HIS A 52 -11.087 37.878 12.098 1.00 0.00 C ATOM 854 O HIS A 52 -11.544 37.318 13.096 1.00 0.00 O ATOM 855 CB HIS A 52 -12.866 38.383 10.423 1.00 0.00 C ATOM 856 CG HIS A 52 -13.928 37.507 9.820 1.00 0.00 C ATOM 857 ND1 HIS A 52 -14.583 36.528 10.550 1.00 0.00 N ATOM 858 CD2 HIS A 52 -14.461 37.451 8.556 1.00 0.00 C ATOM 859 CE1 HIS A 52 -15.464 35.930 9.727 1.00 0.00 C ATOM 860 NE2 HIS A 52 -15.431 36.455 8.499 1.00 0.00 N ATOM 0 H HIS A 52 -12.892 35.885 10.831 1.00 0.00 H new ATOM 0 HA HIS A 52 -10.845 37.786 9.972 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -13.232 38.833 11.346 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.625 39.200 9.743 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -14.171 38.084 7.731 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -16.118 35.123 10.023 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -15.995 36.184 7.693 1.00 0.00 H new ATOM 869 N HIS A 53 -10.123 38.790 12.159 1.00 0.00 N ATOM 870 CA HIS A 53 -9.540 39.189 13.435 1.00 0.00 C ATOM 871 C HIS A 53 -10.379 40.281 14.089 1.00 0.00 C ATOM 872 O HIS A 53 -11.145 40.974 13.418 1.00 0.00 O ATOM 873 CB HIS A 53 -8.114 39.697 13.220 1.00 0.00 C ATOM 874 CG HIS A 53 -8.120 40.780 12.176 1.00 0.00 C ATOM 875 ND1 HIS A 53 -7.993 40.738 10.810 1.00 0.00 N flip ATOM 876 CD2 HIS A 53 -8.274 42.119 12.501 1.00 0.00 C flip ATOM 877 CE1 HIS A 53 -8.065 42.029 10.292 1.00 0.00 C flip ATOM 878 NE2 HIS A 53 -8.234 42.822 11.354 1.00 0.00 N flip ATOM 0 H HIS A 53 -9.731 39.264 11.346 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.520 38.320 14.093 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.708 40.081 14.156 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.468 38.877 12.905 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.403 42.524 13.494 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.999 42.325 9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.322 43.837 11.302 1.00 0.00 H new ATOM 887 N HIS A 54 -10.231 40.430 15.401 1.00 0.00 N ATOM 888 CA HIS A 54 -10.981 41.443 16.134 1.00 0.00 C ATOM 889 C HIS A 54 -10.149 42.000 17.284 1.00 0.00 C ATOM 890 O HIS A 54 -10.455 43.061 17.827 1.00 0.00 O ATOM 891 CB HIS A 54 -12.275 40.838 16.684 1.00 0.00 C ATOM 892 CG HIS A 54 -13.260 41.937 16.972 1.00 0.00 C ATOM 893 ND1 HIS A 54 -13.317 42.879 17.968 1.00 0.00 N flip ATOM 894 CD2 HIS A 54 -14.368 42.165 16.171 1.00 0.00 C flip ATOM 895 CE1 HIS A 54 -14.442 43.680 17.792 1.00 0.00 C flip ATOM 896 NE2 HIS A 54 -15.039 43.207 16.695 1.00 0.00 N flip ATOM 0 H HIS A 54 -9.603 39.867 15.975 1.00 0.00 H new ATOM 0 HA HIS A 54 -11.222 42.256 15.449 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -12.696 40.137 15.963 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -12.067 40.274 17.593 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -12.638 42.977 18.723 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -14.643 41.608 15.287 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -14.763 44.506 18.410 1.00 0.00 H new ATOM 905 N HIS A 55 -9.095 41.277 17.650 1.00 0.00 N ATOM 906 CA HIS A 55 -8.226 41.709 18.739 1.00 0.00 C ATOM 907 C HIS A 55 -6.910 42.251 18.190 1.00 0.00 C ATOM 908 O HIS A 55 -6.555 42.000 17.039 1.00 0.00 O ATOM 909 CB HIS A 55 -7.942 40.534 19.677 1.00 0.00 C ATOM 910 CG HIS A 55 -9.243 39.922 20.122 1.00 0.00 C ATOM 911 ND1 HIS A 55 -10.453 40.588 20.002 1.00 0.00 N ATOM 912 CD2 HIS A 55 -9.537 38.707 20.689 1.00 0.00 C ATOM 913 CE1 HIS A 55 -11.411 39.776 20.487 1.00 0.00 C ATOM 914 NE2 HIS A 55 -10.907 38.618 20.919 1.00 0.00 N ATOM 0 H HIS A 55 -8.824 40.396 17.213 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.732 42.501 19.291 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.332 39.788 19.168 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.373 40.875 20.542 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.816 37.938 20.921 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.460 40.031 20.522 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.417 37.836 21.330 1.00 0.00 H new ATOM 923 N HIS A 56 -6.190 42.996 19.022 1.00 0.00 N ATOM 924 CA HIS A 56 -4.915 43.569 18.609 1.00 0.00 C ATOM 925 C HIS A 56 -3.782 42.572 18.833 1.00 0.00 C ATOM 926 O HIS A 56 -3.256 42.454 19.939 1.00 0.00 O ATOM 927 CB HIS A 56 -4.636 44.848 19.403 1.00 0.00 C ATOM 928 CG HIS A 56 -5.890 45.675 19.474 1.00 0.00 C ATOM 929 ND1 HIS A 56 -6.612 46.022 18.343 1.00 0.00 N ATOM 930 CD2 HIS A 56 -6.563 46.230 20.534 1.00 0.00 C ATOM 931 CE1 HIS A 56 -7.668 46.753 18.745 1.00 0.00 C ATOM 932 NE2 HIS A 56 -7.686 46.910 20.072 1.00 0.00 N ATOM 0 H HIS A 56 -6.465 43.216 19.979 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.971 43.806 17.546 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.294 44.598 20.408 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.838 45.418 18.927 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.266 46.151 21.569 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.411 47.163 18.076 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.374 47.419 20.627 1.00 0.00 H new ATOM 941 N HIS A 57 -3.412 41.857 17.775 1.00 0.00 N ATOM 942 CA HIS A 57 -2.340 40.872 17.869 1.00 0.00 C ATOM 943 C HIS A 57 -1.013 41.483 17.433 1.00 0.00 C ATOM 944 O HIS A 57 -0.830 41.827 16.265 1.00 0.00 O ATOM 945 CB HIS A 57 -2.661 39.663 16.988 1.00 0.00 C ATOM 946 CG HIS A 57 -3.892 38.974 17.511 1.00 0.00 C ATOM 947 ND1 HIS A 57 -5.045 38.846 16.752 1.00 0.00 N ATOM 948 CD2 HIS A 57 -4.164 38.370 18.712 1.00 0.00 C ATOM 949 CE1 HIS A 57 -5.951 38.189 17.499 1.00 0.00 C ATOM 950 NE2 HIS A 57 -5.465 37.875 18.703 1.00 0.00 N ATOM 0 H HIS A 57 -3.834 41.940 16.850 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.257 40.552 18.908 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.820 39.982 15.958 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.819 38.971 16.981 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.474 38.291 19.539 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.949 37.945 17.166 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.944 37.379 19.454 1.00 0.00 H new TER 959 HIS A 57