USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 52 GLN : amide:sc= -0.184 K(o=-0.19,f=-1.5!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc=-0.00483 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.162 USER MOD Single : A 11 GLN : amide:sc= -0.616 K(o=-0.62,f=-7.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 1.06 (180deg=1.05) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0.493 K(o=0.49,f=-5.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -0.828 (180deg=-3.08!) USER MOD Single : A 29 MET CE :methyl -178:sc= -1.57 (180deg=-1.65) USER MOD Single : A 31 MET CE :methyl -124:sc= -3.27! (180deg=-4.64!) USER MOD Single : A 34 THR OG1 : rot 96:sc= -0.0585 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.134 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0.137) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N PHE A 2 -1.824 5.479 9.701 1.00 74.44 N ATOM 19 CA PHE A 2 -2.351 4.204 9.246 1.00 65.44 C ATOM 20 C PHE A 2 -1.399 3.612 8.215 1.00 20.23 C ATOM 21 O PHE A 2 -1.252 4.144 7.112 1.00 52.23 O ATOM 22 CB PHE A 2 -3.753 4.378 8.652 1.00 14.21 C ATOM 23 CG PHE A 2 -4.413 3.081 8.274 1.00 64.23 C ATOM 24 CD1 PHE A 2 -5.081 2.330 9.226 1.00 64.31 C ATOM 25 CD2 PHE A 2 -4.365 2.616 6.972 1.00 75.24 C ATOM 26 CE1 PHE A 2 -5.691 1.140 8.883 1.00 11.42 C ATOM 27 CE2 PHE A 2 -4.973 1.426 6.622 1.00 10.04 C ATOM 28 CZ PHE A 2 -5.635 0.685 7.581 1.00 44.21 C ATOM 0 HA PHE A 2 -2.433 3.524 10.094 1.00 65.44 H new ATOM 0 HB2 PHE A 2 -4.382 4.899 9.374 1.00 14.21 H new ATOM 0 HB3 PHE A 2 -3.688 5.014 7.769 1.00 14.21 H new ATOM 0 HD1 PHE A 2 -5.125 2.679 10.247 1.00 64.31 H new ATOM 0 HD2 PHE A 2 -3.846 3.191 6.220 1.00 75.24 H new ATOM 0 HE1 PHE A 2 -6.212 0.565 9.634 1.00 11.42 H new ATOM 0 HE2 PHE A 2 -4.931 1.076 5.601 1.00 10.04 H new ATOM 0 HZ PHE A 2 -6.108 -0.248 7.313 1.00 44.21 H new ATOM 38 N SER A 3 -0.739 2.527 8.586 1.00 42.55 N ATOM 39 CA SER A 3 0.262 1.917 7.733 1.00 14.24 C ATOM 40 C SER A 3 -0.375 0.931 6.759 1.00 32.25 C ATOM 41 O SER A 3 -1.392 0.304 7.064 1.00 5.00 O ATOM 42 CB SER A 3 1.323 1.223 8.592 1.00 51.34 C ATOM 43 OG SER A 3 0.726 0.385 9.570 1.00 2.01 O ATOM 0 H SER A 3 -0.881 2.051 9.477 1.00 42.55 H new ATOM 0 HA SER A 3 0.741 2.700 7.144 1.00 14.24 H new ATOM 0 HB2 SER A 3 1.980 0.631 7.955 1.00 51.34 H new ATOM 0 HB3 SER A 3 1.945 1.972 9.082 1.00 51.34 H new ATOM 0 HG SER A 3 1.426 -0.046 10.103 1.00 2.01 H new ATOM 49 N LEU A 4 0.237 0.796 5.589 1.00 12.00 N ATOM 50 CA LEU A 4 -0.253 -0.112 4.555 1.00 31.34 C ATOM 51 C LEU A 4 -0.180 -1.563 5.026 1.00 62.23 C ATOM 52 O LEU A 4 -0.917 -2.422 4.551 1.00 3.00 O ATOM 53 CB LEU A 4 0.572 0.072 3.275 1.00 2.11 C ATOM 54 CG LEU A 4 0.156 -0.805 2.090 1.00 55.31 C ATOM 55 CD1 LEU A 4 -1.289 -0.539 1.708 1.00 53.54 C ATOM 56 CD2 LEU A 4 1.068 -0.560 0.900 1.00 44.44 C ATOM 0 H LEU A 4 1.080 1.308 5.330 1.00 12.00 H new ATOM 0 HA LEU A 4 -1.297 0.124 4.349 1.00 31.34 H new ATOM 0 HB2 LEU A 4 0.510 1.117 2.971 1.00 2.11 H new ATOM 0 HB3 LEU A 4 1.618 -0.131 3.505 1.00 2.11 H new ATOM 0 HG LEU A 4 0.248 -1.849 2.390 1.00 55.31 H new ATOM 0 HD11 LEU A 4 -1.565 -1.172 0.864 1.00 53.54 H new ATOM 0 HD12 LEU A 4 -1.937 -0.762 2.556 1.00 53.54 H new ATOM 0 HD13 LEU A 4 -1.405 0.508 1.429 1.00 53.54 H new ATOM 0 HD21 LEU A 4 0.758 -1.192 0.068 1.00 44.44 H new ATOM 0 HD22 LEU A 4 1.006 0.487 0.604 1.00 44.44 H new ATOM 0 HD23 LEU A 4 2.096 -0.800 1.174 1.00 44.44 H new ATOM 68 N ARG A 5 0.710 -1.821 5.975 1.00 41.13 N ATOM 69 CA ARG A 5 0.899 -3.157 6.515 1.00 33.24 C ATOM 70 C ARG A 5 -0.299 -3.579 7.374 1.00 64.35 C ATOM 71 O ARG A 5 -0.507 -4.766 7.619 1.00 74.11 O ATOM 72 CB ARG A 5 2.202 -3.174 7.326 1.00 51.34 C ATOM 73 CG ARG A 5 2.750 -4.554 7.645 1.00 14.23 C ATOM 74 CD ARG A 5 2.137 -5.145 8.906 1.00 44.13 C ATOM 75 NE ARG A 5 2.357 -4.296 10.081 1.00 53.30 N ATOM 76 CZ ARG A 5 1.371 -3.840 10.859 1.00 20.12 C ATOM 77 NH1 ARG A 5 0.110 -4.139 10.583 1.00 72.13 N ATOM 78 NH2 ARG A 5 1.642 -3.081 11.913 1.00 52.02 N ATOM 0 H ARG A 5 1.317 -1.113 6.389 1.00 41.13 H new ATOM 0 HA ARG A 5 0.970 -3.877 5.700 1.00 33.24 H new ATOM 0 HB2 ARG A 5 2.961 -2.618 6.775 1.00 51.34 H new ATOM 0 HB3 ARG A 5 2.035 -2.642 8.263 1.00 51.34 H new ATOM 0 HG2 ARG A 5 2.559 -5.221 6.804 1.00 14.23 H new ATOM 0 HG3 ARG A 5 3.832 -4.494 7.764 1.00 14.23 H new ATOM 0 HD2 ARG A 5 1.066 -5.284 8.756 1.00 44.13 H new ATOM 0 HD3 ARG A 5 2.564 -6.131 9.088 1.00 44.13 H new ATOM 0 HE ARG A 5 3.315 -4.039 10.318 1.00 53.30 H new ATOM 0 HH11 ARG A 5 -0.111 -4.719 9.774 1.00 72.13 H new ATOM 0 HH12 ARG A 5 -0.640 -3.789 11.180 1.00 72.13 H new ATOM 0 HH21 ARG A 5 2.609 -2.842 12.134 1.00 52.02 H new ATOM 0 HH22 ARG A 5 0.884 -2.737 12.502 1.00 52.02 H new ATOM 92 N ASP A 6 -1.095 -2.613 7.821 1.00 14.22 N ATOM 93 CA ASP A 6 -2.250 -2.920 8.663 1.00 44.12 C ATOM 94 C ASP A 6 -3.476 -3.209 7.807 1.00 24.41 C ATOM 95 O ASP A 6 -4.480 -3.736 8.290 1.00 51.02 O ATOM 96 CB ASP A 6 -2.541 -1.775 9.637 1.00 52.55 C ATOM 97 CG ASP A 6 -3.610 -2.140 10.650 1.00 33.30 C ATOM 98 OD1 ASP A 6 -4.716 -1.559 10.599 1.00 44.44 O ATOM 99 OD2 ASP A 6 -3.352 -3.017 11.508 1.00 4.44 O ATOM 0 H ASP A 6 -0.966 -1.622 7.618 1.00 14.22 H new ATOM 0 HA ASP A 6 -2.012 -3.810 9.245 1.00 44.12 H new ATOM 0 HB2 ASP A 6 -1.624 -1.504 10.161 1.00 52.55 H new ATOM 0 HB3 ASP A 6 -2.859 -0.896 9.077 1.00 52.55 H new ATOM 105 N ALA A 7 -3.383 -2.876 6.531 1.00 54.10 N ATOM 106 CA ALA A 7 -4.458 -3.154 5.594 1.00 11.13 C ATOM 107 C ALA A 7 -4.531 -4.648 5.310 1.00 23.31 C ATOM 108 O ALA A 7 -3.505 -5.329 5.247 1.00 52.45 O ATOM 109 CB ALA A 7 -4.256 -2.371 4.305 1.00 35.41 C ATOM 0 H ALA A 7 -2.573 -2.412 6.120 1.00 54.10 H new ATOM 0 HA ALA A 7 -5.402 -2.839 6.039 1.00 11.13 H new ATOM 0 HB1 ALA A 7 -5.070 -2.591 3.614 1.00 35.41 H new ATOM 0 HB2 ALA A 7 -4.246 -1.304 4.526 1.00 35.41 H new ATOM 0 HB3 ALA A 7 -3.307 -2.657 3.851 1.00 35.41 H new ATOM 115 N LYS A 8 -5.740 -5.160 5.155 1.00 52.32 N ATOM 116 CA LYS A 8 -5.930 -6.580 4.937 1.00 54.34 C ATOM 117 C LYS A 8 -6.179 -6.884 3.469 1.00 14.15 C ATOM 118 O LYS A 8 -6.611 -6.022 2.701 1.00 21.31 O ATOM 119 CB LYS A 8 -7.084 -7.110 5.791 1.00 11.34 C ATOM 120 CG LYS A 8 -6.773 -7.126 7.278 1.00 32.23 C ATOM 121 CD LYS A 8 -5.579 -8.015 7.566 1.00 4.24 C ATOM 122 CE LYS A 8 -5.249 -8.072 9.050 1.00 22.24 C ATOM 123 NZ LYS A 8 -4.078 -8.951 9.316 1.00 11.22 N ATOM 0 H LYS A 8 -6.601 -4.614 5.176 1.00 52.32 H new ATOM 0 HA LYS A 8 -5.012 -7.086 5.237 1.00 54.34 H new ATOM 0 HB2 LYS A 8 -7.967 -6.495 5.618 1.00 11.34 H new ATOM 0 HB3 LYS A 8 -7.332 -8.121 5.468 1.00 11.34 H new ATOM 0 HG2 LYS A 8 -6.570 -6.112 7.623 1.00 32.23 H new ATOM 0 HG3 LYS A 8 -7.641 -7.483 7.832 1.00 32.23 H new ATOM 0 HD2 LYS A 8 -5.782 -9.022 7.202 1.00 4.24 H new ATOM 0 HD3 LYS A 8 -4.713 -7.646 7.017 1.00 4.24 H new ATOM 0 HE2 LYS A 8 -5.041 -7.067 9.416 1.00 22.24 H new ATOM 0 HE3 LYS A 8 -6.114 -8.440 9.602 1.00 22.24 H new ATOM 0 HZ1 LYS A 8 -3.881 -8.967 10.337 1.00 11.22 H new ATOM 0 HZ2 LYS A 8 -4.287 -9.916 8.989 1.00 11.22 H new ATOM 0 HZ3 LYS A 8 -3.247 -8.585 8.809 1.00 11.22 H new ATOM 137 N CYS A 9 -5.900 -8.120 3.092 1.00 33.21 N ATOM 138 CA CYS A 9 -6.083 -8.573 1.727 1.00 44.22 C ATOM 139 C CYS A 9 -7.562 -8.602 1.353 1.00 44.21 C ATOM 140 O CYS A 9 -8.380 -9.216 2.042 1.00 72.22 O ATOM 141 CB CYS A 9 -5.451 -9.952 1.565 1.00 53.33 C ATOM 142 SG CYS A 9 -5.741 -11.066 2.962 1.00 33.43 S ATOM 0 H CYS A 9 -5.541 -8.836 3.724 1.00 33.21 H new ATOM 0 HA CYS A 9 -5.592 -7.873 1.051 1.00 44.22 H new ATOM 0 HB2 CYS A 9 -5.841 -10.414 0.658 1.00 53.33 H new ATOM 0 HB3 CYS A 9 -4.376 -9.833 1.426 1.00 53.33 H new ATOM 0 HG CYS A 9 -5.169 -12.210 2.731 1.00 33.43 H new ATOM 148 N GLY A 10 -7.899 -7.924 0.266 1.00 4.31 N ATOM 149 CA GLY A 10 -9.282 -7.837 -0.155 1.00 52.05 C ATOM 150 C GLY A 10 -9.842 -6.442 0.028 1.00 2.33 C ATOM 151 O GLY A 10 -10.996 -6.178 -0.306 1.00 21.34 O ATOM 0 H GLY A 10 -7.237 -7.431 -0.334 1.00 4.31 H new ATOM 0 HA2 GLY A 10 -9.361 -8.125 -1.203 1.00 52.05 H new ATOM 0 HA3 GLY A 10 -9.881 -8.546 0.417 1.00 52.05 H new ATOM 155 N GLN A 11 -9.026 -5.553 0.580 1.00 2.41 N ATOM 156 CA GLN A 11 -9.425 -4.167 0.772 1.00 31.45 C ATOM 157 C GLN A 11 -8.718 -3.272 -0.239 1.00 44.12 C ATOM 158 O GLN A 11 -7.761 -3.696 -0.894 1.00 0.44 O ATOM 159 CB GLN A 11 -9.103 -3.706 2.197 1.00 60.31 C ATOM 160 CG GLN A 11 -9.743 -4.565 3.276 1.00 20.55 C ATOM 161 CD GLN A 11 -9.472 -4.042 4.673 1.00 54.45 C ATOM 162 OE1 GLN A 11 -8.472 -4.390 5.297 1.00 3.53 O ATOM 163 NE2 GLN A 11 -10.366 -3.218 5.186 1.00 70.34 N ATOM 0 H GLN A 11 -8.083 -5.769 0.903 1.00 2.41 H new ATOM 0 HA GLN A 11 -10.502 -4.094 0.619 1.00 31.45 H new ATOM 0 HB2 GLN A 11 -8.022 -3.710 2.335 1.00 60.31 H new ATOM 0 HB3 GLN A 11 -9.436 -2.675 2.320 1.00 60.31 H new ATOM 0 HG2 GLN A 11 -10.819 -4.608 3.110 1.00 20.55 H new ATOM 0 HG3 GLN A 11 -9.367 -5.585 3.194 1.00 20.55 H new ATOM 0 HE21 GLN A 11 -11.185 -2.950 4.640 1.00 70.34 H new ATOM 0 HE22 GLN A 11 -10.238 -2.849 6.128 1.00 70.34 H new ATOM 172 N THR A 12 -9.196 -2.048 -0.381 1.00 62.11 N ATOM 173 CA THR A 12 -8.581 -1.093 -1.283 1.00 60.12 C ATOM 174 C THR A 12 -8.231 0.194 -0.542 1.00 31.42 C ATOM 175 O THR A 12 -9.095 0.837 0.055 1.00 23.34 O ATOM 176 CB THR A 12 -9.506 -0.779 -2.470 1.00 42.43 C ATOM 177 OG1 THR A 12 -9.903 -2.005 -3.096 1.00 74.13 O ATOM 178 CG2 THR A 12 -8.804 0.108 -3.488 1.00 23.01 C ATOM 0 H THR A 12 -10.011 -1.692 0.119 1.00 62.11 H new ATOM 0 HA THR A 12 -7.665 -1.541 -1.669 1.00 60.12 H new ATOM 0 HB THR A 12 -10.382 -0.247 -2.098 1.00 42.43 H new ATOM 0 HG1 THR A 12 -10.494 -1.809 -3.853 1.00 74.13 H new ATOM 0 HG21 THR A 12 -9.480 0.315 -4.318 1.00 23.01 H new ATOM 0 HG22 THR A 12 -8.513 1.046 -3.014 1.00 23.01 H new ATOM 0 HG23 THR A 12 -7.916 -0.401 -3.862 1.00 23.01 H new ATOM 186 N VAL A 13 -6.961 0.555 -0.574 1.00 22.41 N ATOM 187 CA VAL A 13 -6.488 1.737 0.124 1.00 11.51 C ATOM 188 C VAL A 13 -5.990 2.783 -0.857 1.00 63.02 C ATOM 189 O VAL A 13 -5.902 2.530 -2.059 1.00 43.33 O ATOM 190 CB VAL A 13 -5.348 1.396 1.106 1.00 64.33 C ATOM 191 CG1 VAL A 13 -5.820 0.406 2.157 1.00 14.21 C ATOM 192 CG2 VAL A 13 -4.143 0.852 0.356 1.00 3.12 C ATOM 0 H VAL A 13 -6.236 0.044 -1.078 1.00 22.41 H new ATOM 0 HA VAL A 13 -7.335 2.133 0.685 1.00 11.51 H new ATOM 0 HB VAL A 13 -5.049 2.312 1.615 1.00 64.33 H new ATOM 0 HG11 VAL A 13 -5.000 0.180 2.838 1.00 14.21 H new ATOM 0 HG12 VAL A 13 -6.649 0.838 2.718 1.00 14.21 H new ATOM 0 HG13 VAL A 13 -6.150 -0.512 1.670 1.00 14.21 H new ATOM 0 HG21 VAL A 13 -3.349 0.617 1.065 1.00 3.12 H new ATOM 0 HG22 VAL A 13 -4.427 -0.052 -0.183 1.00 3.12 H new ATOM 0 HG23 VAL A 13 -3.787 1.600 -0.352 1.00 3.12 H new ATOM 202 N LYS A 14 -5.669 3.951 -0.339 1.00 52.23 N ATOM 203 CA LYS A 14 -5.093 5.011 -1.140 1.00 30.23 C ATOM 204 C LYS A 14 -3.814 5.509 -0.485 1.00 32.43 C ATOM 205 O LYS A 14 -3.793 5.776 0.717 1.00 14.33 O ATOM 206 CB LYS A 14 -6.078 6.166 -1.273 1.00 14.45 C ATOM 207 CG LYS A 14 -5.539 7.340 -2.067 1.00 23.11 C ATOM 208 CD LYS A 14 -6.218 8.635 -1.670 1.00 14.43 C ATOM 209 CE LYS A 14 -7.722 8.558 -1.843 1.00 73.33 C ATOM 210 NZ LYS A 14 -8.394 9.766 -1.304 1.00 41.00 N ATOM 0 H LYS A 14 -5.799 4.191 0.644 1.00 52.23 H new ATOM 0 HA LYS A 14 -4.868 4.620 -2.132 1.00 30.23 H new ATOM 0 HB2 LYS A 14 -6.988 5.803 -1.751 1.00 14.45 H new ATOM 0 HB3 LYS A 14 -6.357 6.510 -0.277 1.00 14.45 H new ATOM 0 HG2 LYS A 14 -4.464 7.427 -1.906 1.00 23.11 H new ATOM 0 HG3 LYS A 14 -5.689 7.160 -3.132 1.00 23.11 H new ATOM 0 HD2 LYS A 14 -5.983 8.865 -0.631 1.00 14.43 H new ATOM 0 HD3 LYS A 14 -5.824 9.452 -2.274 1.00 14.43 H new ATOM 0 HE2 LYS A 14 -7.962 8.448 -2.900 1.00 73.33 H new ATOM 0 HE3 LYS A 14 -8.103 7.672 -1.336 1.00 73.33 H new ATOM 0 HZ1 LYS A 14 -9.416 9.704 -1.484 1.00 41.00 H new ATOM 0 HZ2 LYS A 14 -8.226 9.829 -0.280 1.00 41.00 H new ATOM 0 HZ3 LYS A 14 -8.011 10.613 -1.770 1.00 41.00 H new ATOM 224 N VAL A 15 -2.755 5.631 -1.268 1.00 55.25 N ATOM 225 CA VAL A 15 -1.501 6.163 -0.764 1.00 53.12 C ATOM 226 C VAL A 15 -1.600 7.676 -0.663 1.00 52.35 C ATOM 227 O VAL A 15 -1.743 8.359 -1.675 1.00 2.01 O ATOM 228 CB VAL A 15 -0.319 5.796 -1.680 1.00 40.14 C ATOM 229 CG1 VAL A 15 0.993 6.292 -1.095 1.00 20.42 C ATOM 230 CG2 VAL A 15 -0.269 4.301 -1.914 1.00 23.30 C ATOM 0 H VAL A 15 -2.739 5.369 -2.254 1.00 55.25 H new ATOM 0 HA VAL A 15 -1.321 5.725 0.218 1.00 53.12 H new ATOM 0 HB VAL A 15 -0.469 6.288 -2.641 1.00 40.14 H new ATOM 0 HG11 VAL A 15 1.813 6.021 -1.760 1.00 20.42 H new ATOM 0 HG12 VAL A 15 0.956 7.376 -0.987 1.00 20.42 H new ATOM 0 HG13 VAL A 15 1.152 5.835 -0.118 1.00 20.42 H new ATOM 0 HG21 VAL A 15 0.573 4.062 -2.564 1.00 23.30 H new ATOM 0 HG22 VAL A 15 -0.149 3.787 -0.960 1.00 23.30 H new ATOM 0 HG23 VAL A 15 -1.196 3.976 -2.387 1.00 23.30 H new ATOM 240 N VAL A 16 -1.548 8.194 0.550 1.00 73.33 N ATOM 241 CA VAL A 16 -1.680 9.625 0.759 1.00 32.22 C ATOM 242 C VAL A 16 -0.360 10.255 1.168 1.00 64.53 C ATOM 243 O VAL A 16 -0.015 11.347 0.719 1.00 41.24 O ATOM 244 CB VAL A 16 -2.760 9.959 1.813 1.00 34.25 C ATOM 245 CG1 VAL A 16 -4.147 9.710 1.249 1.00 11.14 C ATOM 246 CG2 VAL A 16 -2.562 9.150 3.087 1.00 3.30 C ATOM 0 H VAL A 16 -1.416 7.649 1.402 1.00 73.33 H new ATOM 0 HA VAL A 16 -1.990 10.045 -0.198 1.00 32.22 H new ATOM 0 HB VAL A 16 -2.662 11.015 2.064 1.00 34.25 H new ATOM 0 HG11 VAL A 16 -4.895 9.950 2.004 1.00 11.14 H new ATOM 0 HG12 VAL A 16 -4.301 10.339 0.372 1.00 11.14 H new ATOM 0 HG13 VAL A 16 -4.242 8.662 0.965 1.00 11.14 H new ATOM 0 HG21 VAL A 16 -3.338 9.409 3.807 1.00 3.30 H new ATOM 0 HG22 VAL A 16 -2.622 8.087 2.856 1.00 3.30 H new ATOM 0 HG23 VAL A 16 -1.584 9.374 3.512 1.00 3.30 H new ATOM 256 N LYS A 17 0.386 9.554 1.997 1.00 42.30 N ATOM 257 CA LYS A 17 1.620 10.086 2.534 1.00 51.05 C ATOM 258 C LYS A 17 2.661 8.981 2.623 1.00 42.14 C ATOM 259 O LYS A 17 2.323 7.806 2.731 1.00 12.55 O ATOM 260 CB LYS A 17 1.337 10.694 3.909 1.00 73.15 C ATOM 261 CG LYS A 17 2.485 11.476 4.519 1.00 1.12 C ATOM 262 CD LYS A 17 2.047 12.108 5.828 1.00 72.31 C ATOM 263 CE LYS A 17 3.161 12.900 6.486 1.00 71.14 C ATOM 264 NZ LYS A 17 2.692 13.561 7.731 1.00 4.40 N ATOM 0 H LYS A 17 0.158 8.612 2.314 1.00 42.30 H new ATOM 0 HA LYS A 17 2.014 10.864 1.880 1.00 51.05 H new ATOM 0 HB2 LYS A 17 0.473 11.353 3.826 1.00 73.15 H new ATOM 0 HB3 LYS A 17 1.061 9.892 4.593 1.00 73.15 H new ATOM 0 HG2 LYS A 17 3.335 10.815 4.691 1.00 1.12 H new ATOM 0 HG3 LYS A 17 2.818 12.249 3.826 1.00 1.12 H new ATOM 0 HD2 LYS A 17 1.196 12.765 5.645 1.00 72.31 H new ATOM 0 HD3 LYS A 17 1.707 11.328 6.510 1.00 72.31 H new ATOM 0 HE2 LYS A 17 3.995 12.237 6.716 1.00 71.14 H new ATOM 0 HE3 LYS A 17 3.535 13.652 5.791 1.00 71.14 H new ATOM 0 HZ1 LYS A 17 3.476 14.095 8.157 1.00 4.40 H new ATOM 0 HZ2 LYS A 17 1.912 14.212 7.506 1.00 4.40 H new ATOM 0 HZ3 LYS A 17 2.358 12.840 8.402 1.00 4.40 H new ATOM 278 N LEU A 18 3.924 9.350 2.553 1.00 54.32 N ATOM 279 CA LEU A 18 4.997 8.376 2.621 1.00 2.20 C ATOM 280 C LEU A 18 6.050 8.838 3.613 1.00 62.11 C ATOM 281 O LEU A 18 6.721 9.840 3.390 1.00 14.45 O ATOM 282 CB LEU A 18 5.614 8.169 1.233 1.00 1.20 C ATOM 283 CG LEU A 18 4.676 7.549 0.190 1.00 64.21 C ATOM 284 CD1 LEU A 18 5.323 7.546 -1.187 1.00 23.44 C ATOM 285 CD2 LEU A 18 4.298 6.130 0.592 1.00 31.13 C ATOM 0 H LEU A 18 4.233 10.316 2.449 1.00 54.32 H new ATOM 0 HA LEU A 18 4.593 7.422 2.960 1.00 2.20 H new ATOM 0 HB2 LEU A 18 5.961 9.132 0.860 1.00 1.20 H new ATOM 0 HB3 LEU A 18 6.492 7.531 1.334 1.00 1.20 H new ATOM 0 HG LEU A 18 3.772 8.156 0.145 1.00 64.21 H new ATOM 0 HD11 LEU A 18 4.639 7.101 -1.910 1.00 23.44 H new ATOM 0 HD12 LEU A 18 5.550 8.570 -1.484 1.00 23.44 H new ATOM 0 HD13 LEU A 18 6.244 6.965 -1.155 1.00 23.44 H new ATOM 0 HD21 LEU A 18 3.632 5.704 -0.159 1.00 31.13 H new ATOM 0 HD22 LEU A 18 5.199 5.521 0.666 1.00 31.13 H new ATOM 0 HD23 LEU A 18 3.792 6.148 1.557 1.00 31.13 H new ATOM 297 N HIS A 19 6.165 8.123 4.723 1.00 65.11 N ATOM 298 CA HIS A 19 7.135 8.474 5.751 1.00 2.33 C ATOM 299 C HIS A 19 8.505 7.923 5.376 1.00 31.25 C ATOM 300 O HIS A 19 9.313 8.611 4.750 1.00 33.24 O ATOM 301 CB HIS A 19 6.706 7.930 7.122 1.00 1.35 C ATOM 302 CG HIS A 19 5.419 8.493 7.647 1.00 20.40 C ATOM 303 ND1 HIS A 19 5.351 9.284 8.768 1.00 54.15 N ATOM 304 CD2 HIS A 19 4.142 8.346 7.218 1.00 35.44 C ATOM 305 CE1 HIS A 19 4.093 9.601 9.007 1.00 33.42 C ATOM 306 NE2 HIS A 19 3.335 9.044 8.080 1.00 52.12 N ATOM 0 H HIS A 19 5.601 7.300 4.935 1.00 65.11 H new ATOM 0 HA HIS A 19 7.187 9.561 5.819 1.00 2.33 H new ATOM 0 HB2 HIS A 19 6.611 6.846 7.054 1.00 1.35 H new ATOM 0 HB3 HIS A 19 7.497 8.136 7.843 1.00 1.35 H new ATOM 0 HD2 HIS A 19 3.819 7.782 6.355 1.00 35.44 H new ATOM 0 HE1 HIS A 19 3.742 10.214 9.824 1.00 33.42 H new ATOM 0 HE2 HIS A 19 2.320 9.120 8.016 1.00 52.12 H new ATOM 315 N GLY A 20 8.740 6.665 5.737 1.00 64.23 N ATOM 316 CA GLY A 20 9.988 6.002 5.408 1.00 20.34 C ATOM 317 C GLY A 20 11.207 6.749 5.909 1.00 1.43 C ATOM 318 O GLY A 20 11.183 7.356 6.981 1.00 72.42 O ATOM 0 H GLY A 20 8.079 6.088 6.258 1.00 64.23 H new ATOM 0 HA2 GLY A 20 9.983 4.999 5.834 1.00 20.34 H new ATOM 0 HA3 GLY A 20 10.058 5.888 4.326 1.00 20.34 H new ATOM 322 N THR A 21 12.268 6.704 5.123 1.00 63.21 N ATOM 323 CA THR A 21 13.505 7.397 5.447 1.00 12.24 C ATOM 324 C THR A 21 13.827 8.440 4.383 1.00 61.41 C ATOM 325 O THR A 21 14.943 8.960 4.315 1.00 42.54 O ATOM 326 CB THR A 21 14.665 6.395 5.528 1.00 4.32 C ATOM 327 OG1 THR A 21 14.637 5.555 4.364 1.00 24.12 O ATOM 328 CG2 THR A 21 14.565 5.544 6.787 1.00 62.40 C ATOM 0 H THR A 21 12.298 6.188 4.244 1.00 63.21 H new ATOM 0 HA THR A 21 13.376 7.891 6.410 1.00 12.24 H new ATOM 0 HB THR A 21 15.606 6.944 5.569 1.00 4.32 H new ATOM 0 HG1 THR A 21 15.376 4.913 4.406 1.00 24.12 H new ATOM 0 HG21 THR A 21 15.399 4.843 6.819 1.00 62.40 H new ATOM 0 HG22 THR A 21 14.599 6.188 7.665 1.00 62.40 H new ATOM 0 HG23 THR A 21 13.626 4.991 6.779 1.00 62.40 H new ATOM 336 N GLY A 22 12.841 8.743 3.551 1.00 15.13 N ATOM 337 CA GLY A 22 13.069 9.616 2.417 1.00 30.33 C ATOM 338 C GLY A 22 13.531 8.841 1.202 1.00 44.03 C ATOM 339 O GLY A 22 12.852 8.819 0.177 1.00 21.43 O ATOM 0 H GLY A 22 11.885 8.399 3.641 1.00 15.13 H new ATOM 0 HA2 GLY A 22 12.150 10.152 2.180 1.00 30.33 H new ATOM 0 HA3 GLY A 22 13.817 10.365 2.678 1.00 30.33 H new ATOM 343 N ALA A 23 14.671 8.170 1.327 1.00 70.51 N ATOM 344 CA ALA A 23 15.207 7.358 0.239 1.00 73.41 C ATOM 345 C ALA A 23 14.269 6.201 -0.087 1.00 0.10 C ATOM 346 O ALA A 23 14.230 5.712 -1.216 1.00 63.41 O ATOM 347 CB ALA A 23 16.585 6.833 0.600 1.00 55.31 C ATOM 0 H ALA A 23 15.243 8.172 2.172 1.00 70.51 H new ATOM 0 HA ALA A 23 15.293 7.989 -0.646 1.00 73.41 H new ATOM 0 HB1 ALA A 23 16.971 6.229 -0.221 1.00 55.31 H new ATOM 0 HB2 ALA A 23 17.258 7.671 0.782 1.00 55.31 H new ATOM 0 HB3 ALA A 23 16.517 6.221 1.499 1.00 55.31 H new ATOM 353 N LEU A 24 13.513 5.767 0.914 1.00 54.32 N ATOM 354 CA LEU A 24 12.526 4.714 0.725 1.00 24.34 C ATOM 355 C LEU A 24 11.373 5.215 -0.143 1.00 61.53 C ATOM 356 O LEU A 24 10.816 4.465 -0.939 1.00 23.42 O ATOM 357 CB LEU A 24 11.997 4.225 2.078 1.00 25.15 C ATOM 358 CG LEU A 24 11.011 3.054 2.010 1.00 2.12 C ATOM 359 CD1 LEU A 24 11.674 1.828 1.403 1.00 44.25 C ATOM 360 CD2 LEU A 24 10.470 2.737 3.395 1.00 74.24 C ATOM 0 H LEU A 24 13.566 6.129 1.866 1.00 54.32 H new ATOM 0 HA LEU A 24 13.007 3.878 0.218 1.00 24.34 H new ATOM 0 HB2 LEU A 24 12.845 3.929 2.696 1.00 25.15 H new ATOM 0 HB3 LEU A 24 11.510 5.060 2.583 1.00 25.15 H new ATOM 0 HG LEU A 24 10.178 3.343 1.370 1.00 2.12 H new ATOM 0 HD11 LEU A 24 10.957 1.008 1.364 1.00 44.25 H new ATOM 0 HD12 LEU A 24 12.015 2.061 0.394 1.00 44.25 H new ATOM 0 HD13 LEU A 24 12.527 1.535 2.015 1.00 44.25 H new ATOM 0 HD21 LEU A 24 9.771 1.903 3.330 1.00 74.24 H new ATOM 0 HD22 LEU A 24 11.295 2.469 4.055 1.00 74.24 H new ATOM 0 HD23 LEU A 24 9.956 3.611 3.794 1.00 74.24 H new ATOM 372 N LYS A 25 11.048 6.501 -0.002 1.00 5.34 N ATOM 373 CA LYS A 25 9.941 7.110 -0.737 1.00 25.15 C ATOM 374 C LYS A 25 10.183 7.029 -2.239 1.00 24.21 C ATOM 375 O LYS A 25 9.295 6.647 -3.005 1.00 23.42 O ATOM 376 CB LYS A 25 9.773 8.573 -0.314 1.00 11.24 C ATOM 377 CG LYS A 25 9.352 8.753 1.139 1.00 33.12 C ATOM 378 CD LYS A 25 9.492 10.203 1.616 1.00 52.31 C ATOM 379 CE LYS A 25 8.480 11.151 0.968 1.00 4.14 C ATOM 380 NZ LYS A 25 8.813 11.471 -0.449 1.00 60.22 N ATOM 0 H LYS A 25 11.540 7.144 0.619 1.00 5.34 H new ATOM 0 HA LYS A 25 9.029 6.561 -0.503 1.00 25.15 H new ATOM 0 HB2 LYS A 25 10.714 9.098 -0.477 1.00 11.24 H new ATOM 0 HB3 LYS A 25 9.030 9.044 -0.958 1.00 11.24 H new ATOM 0 HG2 LYS A 25 8.316 8.434 1.256 1.00 33.12 H new ATOM 0 HG3 LYS A 25 9.958 8.106 1.772 1.00 33.12 H new ATOM 0 HD2 LYS A 25 9.370 10.236 2.699 1.00 52.31 H new ATOM 0 HD3 LYS A 25 10.501 10.555 1.398 1.00 52.31 H new ATOM 0 HE2 LYS A 25 7.488 10.701 1.010 1.00 4.14 H new ATOM 0 HE3 LYS A 25 8.435 12.076 1.544 1.00 4.14 H new ATOM 0 HZ1 LYS A 25 8.686 12.490 -0.614 1.00 60.22 H new ATOM 0 HZ2 LYS A 25 9.801 11.209 -0.641 1.00 60.22 H new ATOM 0 HZ3 LYS A 25 8.184 10.937 -1.082 1.00 60.22 H new ATOM 394 N ARG A 26 11.396 7.376 -2.650 1.00 11.22 N ATOM 395 CA ARG A 26 11.773 7.331 -4.055 1.00 24.00 C ATOM 396 C ARG A 26 11.673 5.906 -4.595 1.00 31.03 C ATOM 397 O ARG A 26 11.194 5.687 -5.707 1.00 21.30 O ATOM 398 CB ARG A 26 13.198 7.862 -4.235 1.00 23.41 C ATOM 399 CG ARG A 26 13.702 7.821 -5.671 1.00 21.21 C ATOM 400 CD ARG A 26 12.895 8.729 -6.585 1.00 41.55 C ATOM 401 NE ARG A 26 13.340 8.635 -7.976 1.00 2.52 N ATOM 402 CZ ARG A 26 13.115 9.564 -8.902 1.00 21.34 C ATOM 403 NH1 ARG A 26 12.434 10.665 -8.599 1.00 1.43 N ATOM 404 NH2 ARG A 26 13.564 9.382 -10.136 1.00 14.22 N ATOM 0 H ARG A 26 12.138 7.693 -2.026 1.00 11.22 H new ATOM 0 HA ARG A 26 11.084 7.962 -4.617 1.00 24.00 H new ATOM 0 HB2 ARG A 26 13.238 8.891 -3.877 1.00 23.41 H new ATOM 0 HB3 ARG A 26 13.873 7.279 -3.608 1.00 23.41 H new ATOM 0 HG2 ARG A 26 14.750 8.120 -5.696 1.00 21.21 H new ATOM 0 HG3 ARG A 26 13.654 6.797 -6.043 1.00 21.21 H new ATOM 0 HD2 ARG A 26 11.840 8.463 -6.522 1.00 41.55 H new ATOM 0 HD3 ARG A 26 12.984 9.760 -6.244 1.00 41.55 H new ATOM 0 HE ARG A 26 13.857 7.801 -8.255 1.00 2.52 H new ATOM 0 HH11 ARG A 26 12.080 10.802 -7.652 1.00 1.43 H new ATOM 0 HH12 ARG A 26 12.265 11.373 -9.314 1.00 1.43 H new ATOM 0 HH21 ARG A 26 14.079 8.533 -10.371 1.00 14.22 H new ATOM 0 HH22 ARG A 26 13.395 10.090 -10.850 1.00 14.22 H new ATOM 418 N ARG A 27 12.113 4.946 -3.790 1.00 31.30 N ATOM 419 CA ARG A 27 12.094 3.542 -4.178 1.00 30.32 C ATOM 420 C ARG A 27 10.663 3.060 -4.410 1.00 40.03 C ATOM 421 O ARG A 27 10.386 2.341 -5.372 1.00 40.01 O ATOM 422 CB ARG A 27 12.775 2.695 -3.101 1.00 43.42 C ATOM 423 CG ARG A 27 12.834 1.215 -3.429 1.00 61.13 C ATOM 424 CD ARG A 27 13.576 0.444 -2.352 1.00 61.31 C ATOM 425 NE ARG A 27 13.653 -0.982 -2.663 1.00 55.20 N ATOM 426 CZ ARG A 27 14.700 -1.752 -2.372 1.00 35.21 C ATOM 427 NH1 ARG A 27 15.752 -1.246 -1.739 1.00 23.44 N ATOM 428 NH2 ARG A 27 14.682 -3.036 -2.708 1.00 41.52 N ATOM 0 H ARG A 27 12.490 5.117 -2.858 1.00 31.30 H new ATOM 0 HA ARG A 27 12.642 3.434 -5.114 1.00 30.32 H new ATOM 0 HB2 ARG A 27 13.789 3.064 -2.950 1.00 43.42 H new ATOM 0 HB3 ARG A 27 12.244 2.827 -2.159 1.00 43.42 H new ATOM 0 HG2 ARG A 27 11.823 0.822 -3.530 1.00 61.13 H new ATOM 0 HG3 ARG A 27 13.329 1.072 -4.389 1.00 61.13 H new ATOM 0 HD2 ARG A 27 14.583 0.848 -2.244 1.00 61.31 H new ATOM 0 HD3 ARG A 27 13.073 0.581 -1.395 1.00 61.31 H new ATOM 0 HE ARG A 27 12.856 -1.414 -3.131 1.00 55.20 H new ATOM 0 HH11 ARG A 27 15.762 -0.262 -1.472 1.00 23.44 H new ATOM 0 HH12 ARG A 27 16.550 -1.842 -1.519 1.00 23.44 H new ATOM 0 HH21 ARG A 27 13.870 -3.427 -3.186 1.00 41.52 H new ATOM 0 HH22 ARG A 27 15.480 -3.632 -2.488 1.00 41.52 H new ATOM 442 N ILE A 28 9.759 3.471 -3.531 1.00 32.33 N ATOM 443 CA ILE A 28 8.354 3.107 -3.650 1.00 11.42 C ATOM 444 C ILE A 28 7.746 3.722 -4.909 1.00 64.52 C ATOM 445 O ILE A 28 7.058 3.043 -5.676 1.00 3.22 O ATOM 446 CB ILE A 28 7.550 3.560 -2.410 1.00 52.45 C ATOM 447 CG1 ILE A 28 8.138 2.930 -1.145 1.00 15.41 C ATOM 448 CG2 ILE A 28 6.080 3.187 -2.556 1.00 23.24 C ATOM 449 CD1 ILE A 28 7.487 3.406 0.135 1.00 73.21 C ATOM 0 H ILE A 28 9.975 4.058 -2.726 1.00 32.33 H new ATOM 0 HA ILE A 28 8.300 2.020 -3.719 1.00 11.42 H new ATOM 0 HB ILE A 28 7.619 4.645 -2.328 1.00 52.45 H new ATOM 0 HG12 ILE A 28 8.039 1.846 -1.211 1.00 15.41 H new ATOM 0 HG13 ILE A 28 9.205 3.151 -1.103 1.00 15.41 H new ATOM 0 HG21 ILE A 28 5.532 3.515 -1.673 1.00 23.24 H new ATOM 0 HG22 ILE A 28 5.667 3.673 -3.440 1.00 23.24 H new ATOM 0 HG23 ILE A 28 5.988 2.106 -2.660 1.00 23.24 H new ATOM 0 HD11 ILE A 28 7.958 2.915 0.987 1.00 73.21 H new ATOM 0 HD12 ILE A 28 7.609 4.485 0.226 1.00 73.21 H new ATOM 0 HD13 ILE A 28 6.425 3.161 0.116 1.00 73.21 H new ATOM 461 N MET A 29 8.035 5.001 -5.132 1.00 40.05 N ATOM 462 CA MET A 29 7.495 5.721 -6.284 1.00 22.45 C ATOM 463 C MET A 29 7.989 5.122 -7.593 1.00 32.00 C ATOM 464 O MET A 29 7.271 5.123 -8.595 1.00 2.35 O ATOM 465 CB MET A 29 7.851 7.209 -6.225 1.00 23.33 C ATOM 466 CG MET A 29 7.180 7.956 -5.084 1.00 54.51 C ATOM 467 SD MET A 29 7.496 9.734 -5.131 1.00 54.22 S ATOM 468 CE MET A 29 9.284 9.767 -5.020 1.00 50.44 C ATOM 0 H MET A 29 8.640 5.561 -4.531 1.00 40.05 H new ATOM 0 HA MET A 29 6.410 5.621 -6.245 1.00 22.45 H new ATOM 0 HB2 MET A 29 8.932 7.311 -6.127 1.00 23.33 H new ATOM 0 HB3 MET A 29 7.571 7.678 -7.168 1.00 23.33 H new ATOM 0 HG2 MET A 29 6.105 7.781 -5.124 1.00 54.51 H new ATOM 0 HG3 MET A 29 7.533 7.554 -4.135 1.00 54.51 H new ATOM 0 HE1 MET A 29 9.628 10.801 -5.001 1.00 50.44 H new ATOM 0 HE2 MET A 29 9.601 9.262 -4.108 1.00 50.44 H new ATOM 0 HE3 MET A 29 9.712 9.258 -5.884 1.00 50.44 H new ATOM 478 N ASP A 30 9.210 4.601 -7.576 1.00 62.02 N ATOM 479 CA ASP A 30 9.799 3.966 -8.753 1.00 44.14 C ATOM 480 C ASP A 30 8.944 2.798 -9.239 1.00 52.45 C ATOM 481 O ASP A 30 8.815 2.572 -10.442 1.00 70.34 O ATOM 482 CB ASP A 30 11.215 3.481 -8.434 1.00 43.11 C ATOM 483 CG ASP A 30 11.794 2.606 -9.528 1.00 21.11 C ATOM 484 OD1 ASP A 30 11.651 1.368 -9.436 1.00 33.43 O ATOM 485 OD2 ASP A 30 12.395 3.148 -10.474 1.00 30.32 O ATOM 0 H ASP A 30 9.816 4.605 -6.756 1.00 62.02 H new ATOM 0 HA ASP A 30 9.842 4.708 -9.550 1.00 44.14 H new ATOM 0 HB2 ASP A 30 11.864 4.343 -8.282 1.00 43.11 H new ATOM 0 HB3 ASP A 30 11.201 2.923 -7.498 1.00 43.11 H new ATOM 491 N MET A 31 8.336 2.077 -8.299 1.00 34.42 N ATOM 492 CA MET A 31 7.526 0.905 -8.633 1.00 10.45 C ATOM 493 C MET A 31 6.163 1.311 -9.185 1.00 50.24 C ATOM 494 O MET A 31 5.375 0.463 -9.603 1.00 73.04 O ATOM 495 CB MET A 31 7.344 0.010 -7.402 1.00 2.24 C ATOM 496 CG MET A 31 8.635 -0.626 -6.915 1.00 24.42 C ATOM 497 SD MET A 31 8.412 -1.599 -5.411 1.00 70.32 S ATOM 498 CE MET A 31 7.849 -0.334 -4.271 1.00 43.40 C ATOM 0 H MET A 31 8.388 2.283 -7.301 1.00 34.42 H new ATOM 0 HA MET A 31 8.055 0.347 -9.406 1.00 10.45 H new ATOM 0 HB2 MET A 31 6.913 0.601 -6.594 1.00 2.24 H new ATOM 0 HB3 MET A 31 6.628 -0.777 -7.638 1.00 2.24 H new ATOM 0 HG2 MET A 31 9.038 -1.266 -7.700 1.00 24.42 H new ATOM 0 HG3 MET A 31 9.373 0.155 -6.731 1.00 24.42 H new ATOM 0 HE1 MET A 31 8.504 -0.312 -3.400 1.00 43.40 H new ATOM 0 HE2 MET A 31 7.870 0.637 -4.766 1.00 43.40 H new ATOM 0 HE3 MET A 31 6.831 -0.558 -3.953 1.00 43.40 H new ATOM 508 N GLY A 32 5.889 2.610 -9.187 1.00 61.21 N ATOM 509 CA GLY A 32 4.620 3.102 -9.680 1.00 21.43 C ATOM 510 C GLY A 32 3.690 3.490 -8.555 1.00 41.12 C ATOM 511 O GLY A 32 2.552 3.893 -8.790 1.00 22.42 O ATOM 0 H GLY A 32 6.527 3.333 -8.854 1.00 61.21 H new ATOM 0 HA2 GLY A 32 4.791 3.965 -10.324 1.00 21.43 H new ATOM 0 HA3 GLY A 32 4.147 2.335 -10.294 1.00 21.43 H new ATOM 515 N ILE A 33 4.178 3.372 -7.329 1.00 72.04 N ATOM 516 CA ILE A 33 3.379 3.677 -6.153 1.00 41.45 C ATOM 517 C ILE A 33 3.737 5.049 -5.606 1.00 14.32 C ATOM 518 O ILE A 33 4.812 5.240 -5.044 1.00 51.15 O ATOM 519 CB ILE A 33 3.590 2.627 -5.042 1.00 71.25 C ATOM 520 CG1 ILE A 33 3.363 1.220 -5.594 1.00 3.24 C ATOM 521 CG2 ILE A 33 2.663 2.895 -3.862 1.00 62.40 C ATOM 522 CD1 ILE A 33 1.950 0.972 -6.069 1.00 54.03 C ATOM 0 H ILE A 33 5.129 3.065 -7.123 1.00 72.04 H new ATOM 0 HA ILE A 33 2.333 3.663 -6.461 1.00 41.45 H new ATOM 0 HB ILE A 33 4.618 2.701 -4.689 1.00 71.25 H new ATOM 0 HG12 ILE A 33 4.050 1.050 -6.423 1.00 3.24 H new ATOM 0 HG13 ILE A 33 3.610 0.492 -4.821 1.00 3.24 H new ATOM 0 HG21 ILE A 33 2.829 2.143 -3.091 1.00 62.40 H new ATOM 0 HG22 ILE A 33 2.870 3.884 -3.454 1.00 62.40 H new ATOM 0 HG23 ILE A 33 1.626 2.850 -4.196 1.00 62.40 H new ATOM 0 HD11 ILE A 33 1.867 -0.047 -6.447 1.00 54.03 H new ATOM 0 HD12 ILE A 33 1.258 1.109 -5.238 1.00 54.03 H new ATOM 0 HD13 ILE A 33 1.705 1.675 -6.865 1.00 54.03 H new ATOM 534 N THR A 34 2.845 6.003 -5.780 1.00 53.34 N ATOM 535 CA THR A 34 3.077 7.345 -5.287 1.00 12.14 C ATOM 536 C THR A 34 1.810 7.890 -4.631 1.00 0.54 C ATOM 537 O THR A 34 0.765 7.231 -4.633 1.00 3.03 O ATOM 538 CB THR A 34 3.562 8.277 -6.425 1.00 32.32 C ATOM 539 OG1 THR A 34 3.815 9.602 -5.932 1.00 61.52 O ATOM 540 CG2 THR A 34 2.547 8.324 -7.557 1.00 53.31 C ATOM 0 H THR A 34 1.954 5.874 -6.259 1.00 53.34 H new ATOM 0 HA THR A 34 3.865 7.308 -4.535 1.00 12.14 H new ATOM 0 HB THR A 34 4.495 7.869 -6.812 1.00 32.32 H new ATOM 0 HG1 THR A 34 4.767 9.696 -5.720 1.00 61.52 H new ATOM 0 HG21 THR A 34 2.910 8.985 -8.344 1.00 53.31 H new ATOM 0 HG22 THR A 34 2.406 7.322 -7.961 1.00 53.31 H new ATOM 0 HG23 THR A 34 1.596 8.699 -7.178 1.00 53.31 H new ATOM 548 N ARG A 35 1.913 9.083 -4.068 1.00 73.21 N ATOM 549 CA ARG A 35 0.816 9.689 -3.333 1.00 74.23 C ATOM 550 C ARG A 35 -0.309 10.070 -4.287 1.00 61.44 C ATOM 551 O ARG A 35 -0.127 10.900 -5.176 1.00 70.35 O ATOM 552 CB ARG A 35 1.314 10.920 -2.573 1.00 14.05 C ATOM 553 CG ARG A 35 2.500 10.623 -1.671 1.00 14.43 C ATOM 554 CD ARG A 35 3.113 11.892 -1.101 1.00 52.20 C ATOM 555 NE ARG A 35 2.214 12.575 -0.173 1.00 53.24 N ATOM 556 CZ ARG A 35 2.468 13.765 0.369 1.00 64.32 C ATOM 557 NH1 ARG A 35 3.590 14.413 0.068 1.00 42.10 N ATOM 558 NH2 ARG A 35 1.600 14.306 1.216 1.00 61.22 N ATOM 0 H ARG A 35 2.756 9.656 -4.108 1.00 73.21 H new ATOM 0 HA ARG A 35 0.429 8.967 -2.614 1.00 74.23 H new ATOM 0 HB2 ARG A 35 1.594 11.693 -3.289 1.00 14.05 H new ATOM 0 HB3 ARG A 35 0.499 11.323 -1.971 1.00 14.05 H new ATOM 0 HG2 ARG A 35 2.181 9.976 -0.854 1.00 14.43 H new ATOM 0 HG3 ARG A 35 3.256 10.076 -2.234 1.00 14.43 H new ATOM 0 HD2 ARG A 35 4.042 11.645 -0.587 1.00 52.20 H new ATOM 0 HD3 ARG A 35 3.370 12.567 -1.917 1.00 52.20 H new ATOM 0 HE ARG A 35 1.339 12.113 0.075 1.00 53.24 H new ATOM 0 HH11 ARG A 35 4.260 13.999 -0.580 1.00 42.10 H new ATOM 0 HH12 ARG A 35 3.780 15.324 0.485 1.00 42.10 H new ATOM 0 HH21 ARG A 35 0.740 13.810 1.451 1.00 61.22 H new ATOM 0 HH22 ARG A 35 1.793 15.217 1.632 1.00 61.22 H new ATOM 572 N GLY A 36 -1.466 9.454 -4.098 1.00 35.42 N ATOM 573 CA GLY A 36 -2.592 9.692 -4.975 1.00 10.12 C ATOM 574 C GLY A 36 -3.049 8.428 -5.680 1.00 13.31 C ATOM 575 O GLY A 36 -4.111 8.406 -6.303 1.00 43.03 O ATOM 0 H GLY A 36 -1.645 8.788 -3.346 1.00 35.42 H new ATOM 0 HA2 GLY A 36 -3.420 10.103 -4.397 1.00 10.12 H new ATOM 0 HA3 GLY A 36 -2.319 10.442 -5.718 1.00 10.12 H new ATOM 579 N CYS A 37 -2.251 7.373 -5.574 1.00 31.51 N ATOM 580 CA CYS A 37 -2.572 6.102 -6.210 1.00 25.32 C ATOM 581 C CYS A 37 -3.380 5.209 -5.276 1.00 22.34 C ATOM 582 O CYS A 37 -3.218 5.261 -4.054 1.00 72.24 O ATOM 583 CB CYS A 37 -1.288 5.385 -6.634 1.00 4.30 C ATOM 584 SG CYS A 37 -0.263 6.328 -7.788 1.00 63.42 S ATOM 0 H CYS A 37 -1.375 7.373 -5.052 1.00 31.51 H new ATOM 0 HA CYS A 37 -3.177 6.310 -7.093 1.00 25.32 H new ATOM 0 HB2 CYS A 37 -0.700 5.158 -5.744 1.00 4.30 H new ATOM 0 HB3 CYS A 37 -1.551 4.432 -7.093 1.00 4.30 H new ATOM 0 HG CYS A 37 0.800 5.641 -8.086 1.00 63.42 H new ATOM 590 N GLU A 38 -4.254 4.397 -5.856 1.00 51.24 N ATOM 591 CA GLU A 38 -5.040 3.441 -5.090 1.00 33.44 C ATOM 592 C GLU A 38 -4.386 2.062 -5.133 1.00 61.44 C ATOM 593 O GLU A 38 -3.810 1.665 -6.147 1.00 4.51 O ATOM 594 CB GLU A 38 -6.477 3.370 -5.621 1.00 24.32 C ATOM 595 CG GLU A 38 -6.573 3.054 -7.106 1.00 4.45 C ATOM 596 CD GLU A 38 -8.004 2.920 -7.591 1.00 73.24 C ATOM 597 OE1 GLU A 38 -8.707 3.947 -7.686 1.00 71.02 O ATOM 598 OE2 GLU A 38 -8.432 1.782 -7.907 1.00 23.12 O ATOM 0 H GLU A 38 -4.436 4.382 -6.859 1.00 51.24 H new ATOM 0 HA GLU A 38 -5.076 3.778 -4.054 1.00 33.44 H new ATOM 0 HB2 GLU A 38 -7.023 2.610 -5.062 1.00 24.32 H new ATOM 0 HB3 GLU A 38 -6.972 4.322 -5.430 1.00 24.32 H new ATOM 0 HG2 GLU A 38 -6.075 3.841 -7.672 1.00 4.45 H new ATOM 0 HG3 GLU A 38 -6.037 2.127 -7.310 1.00 4.45 H new ATOM 606 N ILE A 39 -4.472 1.339 -4.028 1.00 34.12 N ATOM 607 CA ILE A 39 -3.854 0.029 -3.923 1.00 3.21 C ATOM 608 C ILE A 39 -4.869 -1.021 -3.489 1.00 42.43 C ATOM 609 O ILE A 39 -5.477 -0.917 -2.423 1.00 14.10 O ATOM 610 CB ILE A 39 -2.674 0.030 -2.925 1.00 60.43 C ATOM 611 CG1 ILE A 39 -1.543 0.930 -3.434 1.00 60.40 C ATOM 612 CG2 ILE A 39 -2.167 -1.386 -2.692 1.00 74.11 C ATOM 613 CD1 ILE A 39 -0.308 0.908 -2.558 1.00 44.31 C ATOM 0 H ILE A 39 -4.966 1.640 -3.188 1.00 34.12 H new ATOM 0 HA ILE A 39 -3.475 -0.218 -4.915 1.00 3.21 H new ATOM 0 HB ILE A 39 -3.029 0.426 -1.974 1.00 60.43 H new ATOM 0 HG12 ILE A 39 -1.269 0.619 -4.442 1.00 60.40 H new ATOM 0 HG13 ILE A 39 -1.909 1.954 -3.505 1.00 60.40 H new ATOM 0 HG21 ILE A 39 -1.336 -1.364 -1.987 1.00 74.11 H new ATOM 0 HG22 ILE A 39 -2.972 -1.998 -2.286 1.00 74.11 H new ATOM 0 HG23 ILE A 39 -1.829 -1.812 -3.637 1.00 74.11 H new ATOM 0 HD11 ILE A 39 0.450 1.568 -2.981 1.00 44.31 H new ATOM 0 HD12 ILE A 39 -0.567 1.248 -1.555 1.00 44.31 H new ATOM 0 HD13 ILE A 39 0.084 -0.108 -2.507 1.00 44.31 H new ATOM 625 N TYR A 40 -5.053 -2.022 -4.331 1.00 62.33 N ATOM 626 CA TYR A 40 -5.878 -3.168 -3.996 1.00 22.21 C ATOM 627 C TYR A 40 -4.986 -4.290 -3.468 1.00 11.00 C ATOM 628 O TYR A 40 -4.222 -4.892 -4.225 1.00 73.11 O ATOM 629 CB TYR A 40 -6.667 -3.626 -5.228 1.00 22.34 C ATOM 630 CG TYR A 40 -7.533 -4.844 -4.994 1.00 52.55 C ATOM 631 CD1 TYR A 40 -8.659 -4.781 -4.181 1.00 23.12 C ATOM 632 CD2 TYR A 40 -7.221 -6.059 -5.589 1.00 21.41 C ATOM 633 CE1 TYR A 40 -9.449 -5.894 -3.969 1.00 2.34 C ATOM 634 CE2 TYR A 40 -8.006 -7.176 -5.381 1.00 32.41 C ATOM 635 CZ TYR A 40 -9.117 -7.090 -4.570 1.00 53.42 C ATOM 636 OH TYR A 40 -9.895 -8.206 -4.359 1.00 31.10 O ATOM 0 H TYR A 40 -4.637 -2.063 -5.261 1.00 62.33 H new ATOM 0 HA TYR A 40 -6.595 -2.894 -3.222 1.00 22.21 H new ATOM 0 HB2 TYR A 40 -7.299 -2.805 -5.566 1.00 22.34 H new ATOM 0 HB3 TYR A 40 -5.966 -3.842 -6.034 1.00 22.34 H new ATOM 0 HD1 TYR A 40 -8.920 -3.846 -3.707 1.00 23.12 H new ATOM 0 HD2 TYR A 40 -6.351 -6.132 -6.224 1.00 21.41 H new ATOM 0 HE1 TYR A 40 -10.322 -5.828 -3.336 1.00 2.34 H new ATOM 0 HE2 TYR A 40 -7.750 -8.114 -5.852 1.00 32.41 H new ATOM 0 HH TYR A 40 -9.522 -8.964 -4.856 1.00 31.10 H new ATOM 646 N ILE A 41 -5.062 -4.543 -2.168 1.00 53.41 N ATOM 647 CA ILE A 41 -4.202 -5.534 -1.535 1.00 12.40 C ATOM 648 C ILE A 41 -4.716 -6.940 -1.830 1.00 42.34 C ATOM 649 O ILE A 41 -5.882 -7.255 -1.578 1.00 61.44 O ATOM 650 CB ILE A 41 -4.085 -5.332 0.002 1.00 31.45 C ATOM 651 CG1 ILE A 41 -3.688 -3.888 0.349 1.00 44.14 C ATOM 652 CG2 ILE A 41 -3.061 -6.300 0.587 1.00 51.40 C ATOM 653 CD1 ILE A 41 -4.845 -2.909 0.394 1.00 54.12 C ATOM 0 H ILE A 41 -5.709 -4.077 -1.532 1.00 53.41 H new ATOM 0 HA ILE A 41 -3.205 -5.404 -1.957 1.00 12.40 H new ATOM 0 HB ILE A 41 -5.064 -5.533 0.437 1.00 31.45 H new ATOM 0 HG12 ILE A 41 -3.189 -3.885 1.318 1.00 44.14 H new ATOM 0 HG13 ILE A 41 -2.962 -3.538 -0.385 1.00 44.14 H new ATOM 0 HG21 ILE A 41 -2.990 -6.147 1.664 1.00 51.40 H new ATOM 0 HG22 ILE A 41 -3.373 -7.325 0.386 1.00 51.40 H new ATOM 0 HG23 ILE A 41 -2.088 -6.120 0.130 1.00 51.40 H new ATOM 0 HD11 ILE A 41 -4.472 -1.916 0.646 1.00 54.12 H new ATOM 0 HD12 ILE A 41 -5.333 -2.877 -0.580 1.00 54.12 H new ATOM 0 HD13 ILE A 41 -5.563 -3.229 1.149 1.00 54.12 H new ATOM 665 N ARG A 42 -3.840 -7.772 -2.371 1.00 62.44 N ATOM 666 CA ARG A 42 -4.204 -9.114 -2.806 1.00 61.44 C ATOM 667 C ARG A 42 -4.078 -10.116 -1.666 1.00 3.54 C ATOM 668 O ARG A 42 -5.041 -10.797 -1.321 1.00 13.42 O ATOM 669 CB ARG A 42 -3.319 -9.538 -3.977 1.00 25.23 C ATOM 670 CG ARG A 42 -3.409 -8.596 -5.165 1.00 53.13 C ATOM 671 CD ARG A 42 -4.749 -8.708 -5.872 1.00 33.41 C ATOM 672 NE ARG A 42 -4.854 -9.935 -6.658 1.00 31.42 N ATOM 673 CZ ARG A 42 -5.923 -10.727 -6.675 1.00 63.41 C ATOM 674 NH1 ARG A 42 -6.946 -10.497 -5.860 1.00 52.14 N ATOM 675 NH2 ARG A 42 -5.961 -11.771 -7.493 1.00 61.33 N ATOM 0 H ARG A 42 -2.859 -7.538 -2.521 1.00 62.44 H new ATOM 0 HA ARG A 42 -5.246 -9.098 -3.127 1.00 61.44 H new ATOM 0 HB2 ARG A 42 -2.283 -9.591 -3.641 1.00 25.23 H new ATOM 0 HB3 ARG A 42 -3.603 -10.541 -4.294 1.00 25.23 H new ATOM 0 HG2 ARG A 42 -3.260 -7.570 -4.828 1.00 53.13 H new ATOM 0 HG3 ARG A 42 -2.607 -8.820 -5.868 1.00 53.13 H new ATOM 0 HD2 ARG A 42 -5.551 -8.681 -5.134 1.00 33.41 H new ATOM 0 HD3 ARG A 42 -4.887 -7.846 -6.525 1.00 33.41 H new ATOM 0 HE ARG A 42 -4.054 -10.202 -7.232 1.00 31.42 H new ATOM 0 HH11 ARG A 42 -6.916 -9.708 -5.214 1.00 52.14 H new ATOM 0 HH12 ARG A 42 -7.762 -11.109 -5.880 1.00 52.14 H new ATOM 0 HH21 ARG A 42 -5.171 -11.966 -8.108 1.00 61.33 H new ATOM 0 HH22 ARG A 42 -6.780 -12.379 -7.507 1.00 61.33 H new ATOM 689 N LYS A 43 -2.888 -10.205 -1.086 1.00 23.31 N ATOM 690 CA LYS A 43 -2.634 -11.124 0.007 1.00 75.31 C ATOM 691 C LYS A 43 -1.551 -10.573 0.925 1.00 14.32 C ATOM 692 O LYS A 43 -0.553 -10.027 0.458 1.00 20.12 O ATOM 693 CB LYS A 43 -2.210 -12.479 -0.551 1.00 41.31 C ATOM 694 CG LYS A 43 -1.721 -13.448 0.504 1.00 30.11 C ATOM 695 CD LYS A 43 -1.227 -14.733 -0.123 1.00 41.11 C ATOM 696 CE LYS A 43 -2.373 -15.574 -0.659 1.00 54.44 C ATOM 697 NZ LYS A 43 -1.884 -16.773 -1.383 1.00 52.41 N ATOM 0 H LYS A 43 -2.080 -9.646 -1.360 1.00 23.31 H new ATOM 0 HA LYS A 43 -3.549 -11.244 0.587 1.00 75.31 H new ATOM 0 HB2 LYS A 43 -3.054 -12.925 -1.077 1.00 41.31 H new ATOM 0 HB3 LYS A 43 -1.420 -12.328 -1.286 1.00 41.31 H new ATOM 0 HG2 LYS A 43 -0.918 -12.988 1.080 1.00 30.11 H new ATOM 0 HG3 LYS A 43 -2.528 -13.668 1.203 1.00 30.11 H new ATOM 0 HD2 LYS A 43 -0.536 -14.500 -0.934 1.00 41.11 H new ATOM 0 HD3 LYS A 43 -0.669 -15.307 0.616 1.00 41.11 H new ATOM 0 HE2 LYS A 43 -3.014 -15.884 0.167 1.00 54.44 H new ATOM 0 HE3 LYS A 43 -2.985 -14.970 -1.328 1.00 54.44 H new ATOM 0 HZ1 LYS A 43 -2.695 -17.321 -1.734 1.00 52.41 H new ATOM 0 HZ2 LYS A 43 -1.293 -16.477 -2.186 1.00 52.41 H new ATOM 0 HZ3 LYS A 43 -1.321 -17.363 -0.738 1.00 52.41 H new ATOM 711 N VAL A 44 -1.763 -10.709 2.226 1.00 13.00 N ATOM 712 CA VAL A 44 -0.779 -10.294 3.214 1.00 14.33 C ATOM 713 C VAL A 44 -0.320 -11.511 4.007 1.00 51.04 C ATOM 714 O VAL A 44 -1.133 -12.367 4.360 1.00 50.40 O ATOM 715 CB VAL A 44 -1.356 -9.240 4.190 1.00 52.11 C ATOM 716 CG1 VAL A 44 -0.279 -8.725 5.133 1.00 34.25 C ATOM 717 CG2 VAL A 44 -1.992 -8.091 3.426 1.00 52.31 C ATOM 0 H VAL A 44 -2.614 -11.106 2.623 1.00 13.00 H new ATOM 0 HA VAL A 44 0.060 -9.842 2.685 1.00 14.33 H new ATOM 0 HB VAL A 44 -2.128 -9.723 4.789 1.00 52.11 H new ATOM 0 HG11 VAL A 44 -0.710 -7.986 5.808 1.00 34.25 H new ATOM 0 HG12 VAL A 44 0.124 -9.555 5.713 1.00 34.25 H new ATOM 0 HG13 VAL A 44 0.522 -8.264 4.554 1.00 34.25 H new ATOM 0 HG21 VAL A 44 -2.391 -7.362 4.131 1.00 52.31 H new ATOM 0 HG22 VAL A 44 -1.242 -7.613 2.796 1.00 52.31 H new ATOM 0 HG23 VAL A 44 -2.800 -8.472 2.802 1.00 52.31 H new ATOM 727 N ALA A 45 0.974 -11.596 4.272 1.00 44.32 N ATOM 728 CA ALA A 45 1.519 -12.714 5.021 1.00 14.32 C ATOM 729 C ALA A 45 1.316 -12.500 6.517 1.00 12.41 C ATOM 730 O ALA A 45 1.386 -11.371 6.997 1.00 54.43 O ATOM 731 CB ALA A 45 2.994 -12.899 4.700 1.00 3.43 C ATOM 0 H ALA A 45 1.665 -10.905 3.979 1.00 44.32 H new ATOM 0 HA ALA A 45 0.989 -13.620 4.729 1.00 14.32 H new ATOM 0 HB1 ALA A 45 3.387 -13.741 5.270 1.00 3.43 H new ATOM 0 HB2 ALA A 45 3.113 -13.095 3.634 1.00 3.43 H new ATOM 0 HB3 ALA A 45 3.540 -11.994 4.966 1.00 3.43 H new ATOM 737 N PRO A 46 1.073 -13.585 7.275 1.00 53.31 N ATOM 738 CA PRO A 46 0.820 -13.512 8.722 1.00 11.22 C ATOM 739 C PRO A 46 1.980 -12.889 9.499 1.00 43.13 C ATOM 740 O PRO A 46 1.807 -12.416 10.624 1.00 14.35 O ATOM 741 CB PRO A 46 0.636 -14.978 9.133 1.00 21.43 C ATOM 742 CG PRO A 46 0.282 -15.694 7.877 1.00 74.22 C ATOM 743 CD PRO A 46 0.998 -14.969 6.776 1.00 13.11 C ATOM 0 HA PRO A 46 -0.039 -12.878 8.942 1.00 11.22 H new ATOM 0 HB2 PRO A 46 1.548 -15.381 9.572 1.00 21.43 H new ATOM 0 HB3 PRO A 46 -0.151 -15.082 9.880 1.00 21.43 H new ATOM 0 HG2 PRO A 46 0.591 -16.738 7.922 1.00 74.22 H new ATOM 0 HG3 PRO A 46 -0.796 -15.687 7.713 1.00 74.22 H new ATOM 0 HD2 PRO A 46 1.989 -15.386 6.597 1.00 13.11 H new ATOM 0 HD3 PRO A 46 0.453 -15.028 5.834 1.00 13.11 H new ATOM 751 N LEU A 47 3.162 -12.893 8.896 1.00 51.14 N ATOM 752 CA LEU A 47 4.343 -12.321 9.528 1.00 2.04 C ATOM 753 C LEU A 47 4.688 -10.968 8.908 1.00 30.31 C ATOM 754 O LEU A 47 5.653 -10.317 9.307 1.00 43.54 O ATOM 755 CB LEU A 47 5.524 -13.298 9.426 1.00 10.51 C ATOM 756 CG LEU A 47 5.861 -13.807 8.018 1.00 14.21 C ATOM 757 CD1 LEU A 47 6.739 -12.815 7.267 1.00 15.31 C ATOM 758 CD2 LEU A 47 6.541 -15.163 8.096 1.00 70.51 C ATOM 0 H LEU A 47 3.328 -13.286 7.970 1.00 51.14 H new ATOM 0 HA LEU A 47 4.129 -12.154 10.584 1.00 2.04 H new ATOM 0 HB2 LEU A 47 6.409 -12.810 9.835 1.00 10.51 H new ATOM 0 HB3 LEU A 47 5.313 -14.159 10.060 1.00 10.51 H new ATOM 0 HG LEU A 47 4.927 -13.912 7.466 1.00 14.21 H new ATOM 0 HD11 LEU A 47 6.960 -13.205 6.273 1.00 15.31 H new ATOM 0 HD12 LEU A 47 6.216 -11.863 7.176 1.00 15.31 H new ATOM 0 HD13 LEU A 47 7.670 -12.666 7.814 1.00 15.31 H new ATOM 0 HD21 LEU A 47 6.774 -15.512 7.090 1.00 70.51 H new ATOM 0 HD22 LEU A 47 7.462 -15.076 8.672 1.00 70.51 H new ATOM 0 HD23 LEU A 47 5.875 -15.876 8.582 1.00 70.51 H new ATOM 770 N GLY A 48 3.886 -10.549 7.938 1.00 12.13 N ATOM 771 CA GLY A 48 4.110 -9.284 7.279 1.00 72.01 C ATOM 772 C GLY A 48 4.196 -9.420 5.775 1.00 43.23 C ATOM 773 O GLY A 48 3.183 -9.362 5.082 1.00 33.21 O ATOM 0 H GLY A 48 3.079 -11.070 7.596 1.00 12.13 H new ATOM 0 HA2 GLY A 48 3.302 -8.598 7.533 1.00 72.01 H new ATOM 0 HA3 GLY A 48 5.033 -8.842 7.654 1.00 72.01 H new ATOM 777 N ASP A 49 5.401 -9.623 5.274 1.00 3.44 N ATOM 778 CA ASP A 49 5.628 -9.679 3.836 1.00 3.35 C ATOM 779 C ASP A 49 5.912 -11.111 3.389 1.00 10.33 C ATOM 780 O ASP A 49 6.206 -11.977 4.214 1.00 14.14 O ATOM 781 CB ASP A 49 6.790 -8.761 3.446 1.00 64.23 C ATOM 782 CG ASP A 49 8.134 -9.272 3.918 1.00 52.04 C ATOM 783 OD1 ASP A 49 8.461 -9.085 5.108 1.00 64.53 O ATOM 784 OD2 ASP A 49 8.881 -9.840 3.097 1.00 30.02 O ATOM 0 H ASP A 49 6.240 -9.752 5.840 1.00 3.44 H new ATOM 0 HA ASP A 49 4.724 -9.335 3.333 1.00 3.35 H new ATOM 0 HB2 ASP A 49 6.810 -8.651 2.362 1.00 64.23 H new ATOM 0 HB3 ASP A 49 6.618 -7.769 3.864 1.00 64.23 H new ATOM 790 N PRO A 50 5.845 -11.383 2.076 1.00 30.41 N ATOM 791 CA PRO A 50 5.575 -10.367 1.057 1.00 43.13 C ATOM 792 C PRO A 50 4.111 -9.948 1.008 1.00 11.13 C ATOM 793 O PRO A 50 3.205 -10.779 1.096 1.00 13.40 O ATOM 794 CB PRO A 50 5.979 -11.058 -0.242 1.00 72.34 C ATOM 795 CG PRO A 50 5.753 -12.506 0.017 1.00 40.33 C ATOM 796 CD PRO A 50 6.026 -12.720 1.483 1.00 35.44 C ATOM 0 HA PRO A 50 6.117 -9.443 1.256 1.00 43.13 H new ATOM 0 HB2 PRO A 50 5.378 -10.707 -1.081 1.00 72.34 H new ATOM 0 HB3 PRO A 50 7.021 -10.858 -0.490 1.00 72.34 H new ATOM 0 HG2 PRO A 50 4.731 -12.791 -0.234 1.00 40.33 H new ATOM 0 HG3 PRO A 50 6.415 -13.119 -0.595 1.00 40.33 H new ATOM 0 HD2 PRO A 50 5.337 -13.446 1.916 1.00 35.44 H new ATOM 0 HD3 PRO A 50 7.034 -13.098 1.651 1.00 35.44 H new ATOM 804 N ILE A 51 3.891 -8.652 0.881 1.00 34.11 N ATOM 805 CA ILE A 51 2.552 -8.115 0.749 1.00 44.35 C ATOM 806 C ILE A 51 2.219 -7.944 -0.726 1.00 43.14 C ATOM 807 O ILE A 51 2.839 -7.137 -1.422 1.00 2.43 O ATOM 808 CB ILE A 51 2.409 -6.762 1.482 1.00 55.11 C ATOM 809 CG1 ILE A 51 2.715 -6.938 2.971 1.00 73.34 C ATOM 810 CG2 ILE A 51 1.012 -6.183 1.283 1.00 5.22 C ATOM 811 CD1 ILE A 51 2.614 -5.660 3.774 1.00 22.11 C ATOM 0 H ILE A 51 4.630 -7.949 0.867 1.00 34.11 H new ATOM 0 HA ILE A 51 1.855 -8.816 1.208 1.00 44.35 H new ATOM 0 HB ILE A 51 3.126 -6.059 1.058 1.00 55.11 H new ATOM 0 HG12 ILE A 51 2.027 -7.673 3.389 1.00 73.34 H new ATOM 0 HG13 ILE A 51 3.720 -7.345 3.079 1.00 73.34 H new ATOM 0 HG21 ILE A 51 0.935 -5.231 1.808 1.00 5.22 H new ATOM 0 HG22 ILE A 51 0.831 -6.027 0.220 1.00 5.22 H new ATOM 0 HG23 ILE A 51 0.271 -6.877 1.679 1.00 5.22 H new ATOM 0 HD11 ILE A 51 2.845 -5.868 4.819 1.00 22.11 H new ATOM 0 HD12 ILE A 51 3.322 -4.929 3.384 1.00 22.11 H new ATOM 0 HD13 ILE A 51 1.602 -5.262 3.698 1.00 22.11 H new ATOM 823 N GLN A 52 1.271 -8.736 -1.200 1.00 64.22 N ATOM 824 CA GLN A 52 0.847 -8.685 -2.588 1.00 74.02 C ATOM 825 C GLN A 52 -0.099 -7.522 -2.817 1.00 51.35 C ATOM 826 O GLN A 52 -1.202 -7.493 -2.271 1.00 33.44 O ATOM 827 CB GLN A 52 0.158 -9.991 -2.989 1.00 33.20 C ATOM 828 CG GLN A 52 1.085 -10.995 -3.648 1.00 22.03 C ATOM 829 CD GLN A 52 1.598 -10.511 -4.992 1.00 23.11 C ATOM 830 OE1 GLN A 52 0.921 -9.754 -5.692 1.00 23.44 O ATOM 831 NE2 GLN A 52 2.789 -10.950 -5.362 1.00 24.31 N ATOM 0 H GLN A 52 0.777 -9.428 -0.637 1.00 64.22 H new ATOM 0 HA GLN A 52 1.735 -8.547 -3.204 1.00 74.02 H new ATOM 0 HB2 GLN A 52 -0.283 -10.446 -2.102 1.00 33.20 H new ATOM 0 HB3 GLN A 52 -0.661 -9.764 -3.672 1.00 33.20 H new ATOM 0 HG2 GLN A 52 1.930 -11.193 -2.989 1.00 22.03 H new ATOM 0 HG3 GLN A 52 0.558 -11.940 -3.782 1.00 22.03 H new ATOM 0 HE21 GLN A 52 3.314 -11.575 -4.751 1.00 24.31 H new ATOM 0 HE22 GLN A 52 3.182 -10.663 -6.258 1.00 24.31 H new ATOM 840 N ILE A 53 0.338 -6.560 -3.607 1.00 62.43 N ATOM 841 CA ILE A 53 -0.505 -5.438 -3.975 1.00 74.10 C ATOM 842 C ILE A 53 -0.623 -5.354 -5.491 1.00 33.23 C ATOM 843 O ILE A 53 0.364 -5.529 -6.207 1.00 11.44 O ATOM 844 CB ILE A 53 0.033 -4.102 -3.412 1.00 33.10 C ATOM 845 CG1 ILE A 53 1.465 -3.841 -3.888 1.00 63.14 C ATOM 846 CG2 ILE A 53 -0.032 -4.108 -1.890 1.00 3.12 C ATOM 847 CD1 ILE A 53 2.010 -2.492 -3.468 1.00 42.32 C ATOM 0 H ILE A 53 1.276 -6.533 -4.008 1.00 62.43 H new ATOM 0 HA ILE A 53 -1.489 -5.607 -3.538 1.00 74.10 H new ATOM 0 HB ILE A 53 -0.597 -3.295 -3.787 1.00 33.10 H new ATOM 0 HG12 ILE A 53 2.116 -4.623 -3.498 1.00 63.14 H new ATOM 0 HG13 ILE A 53 1.496 -3.913 -4.975 1.00 63.14 H new ATOM 0 HG21 ILE A 53 0.350 -3.162 -1.506 1.00 3.12 H new ATOM 0 HG22 ILE A 53 -1.066 -4.239 -1.570 1.00 3.12 H new ATOM 0 HG23 ILE A 53 0.574 -4.927 -1.503 1.00 3.12 H new ATOM 0 HD11 ILE A 53 3.028 -2.379 -3.841 1.00 42.32 H new ATOM 0 HD12 ILE A 53 1.382 -1.702 -3.880 1.00 42.32 H new ATOM 0 HD13 ILE A 53 2.013 -2.423 -2.380 1.00 42.32 H new ATOM 859 N ASN A 54 -1.828 -5.121 -5.985 1.00 35.53 N ATOM 860 CA ASN A 54 -2.045 -5.042 -7.421 1.00 24.33 C ATOM 861 C ASN A 54 -2.319 -3.606 -7.827 1.00 34.51 C ATOM 862 O ASN A 54 -3.375 -3.050 -7.511 1.00 11.43 O ATOM 863 CB ASN A 54 -3.208 -5.935 -7.847 1.00 70.45 C ATOM 864 CG ASN A 54 -3.235 -6.165 -9.346 1.00 61.40 C ATOM 865 OD1 ASN A 54 -3.853 -5.408 -10.097 1.00 65.01 O ATOM 866 ND2 ASN A 54 -2.565 -7.218 -9.788 1.00 63.13 N ATOM 0 H ASN A 54 -2.665 -4.984 -5.418 1.00 35.53 H new ATOM 0 HA ASN A 54 -1.143 -5.392 -7.922 1.00 24.33 H new ATOM 0 HB2 ASN A 54 -3.133 -6.895 -7.335 1.00 70.45 H new ATOM 0 HB3 ASN A 54 -4.147 -5.479 -7.534 1.00 70.45 H new ATOM 0 HD21 ASN A 54 -2.547 -7.429 -10.786 1.00 63.13 H new ATOM 0 HD22 ASN A 54 -2.067 -7.818 -9.131 1.00 63.13 H new ATOM 873 N VAL A 55 -1.367 -3.007 -8.523 1.00 21.43 N ATOM 874 CA VAL A 55 -1.479 -1.616 -8.935 1.00 10.12 C ATOM 875 C VAL A 55 -1.026 -1.458 -10.380 1.00 14.14 C ATOM 876 O VAL A 55 0.000 -2.009 -10.775 1.00 20.54 O ATOM 877 CB VAL A 55 -0.645 -0.679 -8.031 1.00 72.43 C ATOM 878 CG1 VAL A 55 -0.810 0.776 -8.451 1.00 11.21 C ATOM 879 CG2 VAL A 55 -1.031 -0.858 -6.571 1.00 42.41 C ATOM 0 H VAL A 55 -0.504 -3.464 -8.816 1.00 21.43 H new ATOM 0 HA VAL A 55 -2.528 -1.333 -8.842 1.00 10.12 H new ATOM 0 HB VAL A 55 0.405 -0.948 -8.147 1.00 72.43 H new ATOM 0 HG11 VAL A 55 -0.213 1.413 -7.799 1.00 11.21 H new ATOM 0 HG12 VAL A 55 -0.476 0.897 -9.481 1.00 11.21 H new ATOM 0 HG13 VAL A 55 -1.859 1.060 -8.374 1.00 11.21 H new ATOM 0 HG21 VAL A 55 -0.433 -0.190 -5.952 1.00 42.41 H new ATOM 0 HG22 VAL A 55 -2.088 -0.623 -6.443 1.00 42.41 H new ATOM 0 HG23 VAL A 55 -0.850 -1.890 -6.271 1.00 42.41 H new ATOM 889 N ARG A 56 -1.818 -0.726 -11.163 1.00 14.45 N ATOM 890 CA ARG A 56 -1.522 -0.466 -12.576 1.00 62.44 C ATOM 891 C ARG A 56 -1.522 -1.762 -13.385 1.00 2.31 C ATOM 892 O ARG A 56 -0.994 -1.815 -14.495 1.00 41.30 O ATOM 893 CB ARG A 56 -0.171 0.249 -12.738 1.00 62.10 C ATOM 894 CG ARG A 56 -0.071 1.598 -12.030 1.00 4.14 C ATOM 895 CD ARG A 56 -1.100 2.604 -12.543 1.00 32.41 C ATOM 896 NE ARG A 56 -2.431 2.405 -11.961 1.00 60.40 N ATOM 897 CZ ARG A 56 -3.453 3.251 -12.122 1.00 73.45 C ATOM 898 NH1 ARG A 56 -3.318 4.326 -12.890 1.00 12.25 N ATOM 899 NH2 ARG A 56 -4.615 3.013 -11.528 1.00 71.22 N ATOM 0 H ARG A 56 -2.684 -0.295 -10.838 1.00 14.45 H new ATOM 0 HA ARG A 56 -2.309 0.185 -12.957 1.00 62.44 H new ATOM 0 HB2 ARG A 56 0.617 -0.403 -12.360 1.00 62.10 H new ATOM 0 HB3 ARG A 56 0.020 0.397 -13.801 1.00 62.10 H new ATOM 0 HG2 ARG A 56 -0.211 1.454 -10.959 1.00 4.14 H new ATOM 0 HG3 ARG A 56 0.931 2.005 -12.169 1.00 4.14 H new ATOM 0 HD2 ARG A 56 -0.757 3.614 -12.317 1.00 32.41 H new ATOM 0 HD3 ARG A 56 -1.168 2.526 -13.628 1.00 32.41 H new ATOM 0 HE ARG A 56 -2.587 1.569 -11.398 1.00 60.40 H new ATOM 0 HH11 ARG A 56 -2.431 4.509 -13.360 1.00 12.25 H new ATOM 0 HH12 ARG A 56 -4.101 4.969 -13.010 1.00 12.25 H new ATOM 0 HH21 ARG A 56 -4.730 2.183 -10.947 1.00 71.22 H new ATOM 0 HH22 ARG A 56 -5.393 3.660 -11.652 1.00 71.22 H new ATOM 913 N GLY A 57 -2.132 -2.799 -12.826 1.00 33.45 N ATOM 914 CA GLY A 57 -2.185 -4.085 -13.493 1.00 74.14 C ATOM 915 C GLY A 57 -1.042 -4.991 -13.086 1.00 35.50 C ATOM 916 O GLY A 57 -1.066 -6.194 -13.360 1.00 71.44 O ATOM 0 H GLY A 57 -2.594 -2.771 -11.917 1.00 33.45 H new ATOM 0 HA2 GLY A 57 -3.132 -4.573 -13.262 1.00 74.14 H new ATOM 0 HA3 GLY A 57 -2.159 -3.933 -14.572 1.00 74.14 H new ATOM 920 N TYR A 58 -0.043 -4.416 -12.430 1.00 62.02 N ATOM 921 CA TYR A 58 1.124 -5.168 -11.998 1.00 22.13 C ATOM 922 C TYR A 58 0.888 -5.792 -10.633 1.00 41.34 C ATOM 923 O TYR A 58 0.339 -5.153 -9.732 1.00 34.12 O ATOM 924 CB TYR A 58 2.359 -4.265 -11.919 1.00 45.43 C ATOM 925 CG TYR A 58 2.815 -3.707 -13.245 1.00 55.11 C ATOM 926 CD1 TYR A 58 3.494 -4.504 -14.156 1.00 63.13 C ATOM 927 CD2 TYR A 58 2.591 -2.378 -13.574 1.00 74.02 C ATOM 928 CE1 TYR A 58 3.938 -3.990 -15.359 1.00 25.23 C ATOM 929 CE2 TYR A 58 3.026 -1.857 -14.776 1.00 22.41 C ATOM 930 CZ TYR A 58 3.700 -2.667 -15.664 1.00 15.14 C ATOM 931 OH TYR A 58 4.148 -2.148 -16.858 1.00 61.44 O ATOM 0 H TYR A 58 -0.019 -3.426 -12.185 1.00 62.02 H new ATOM 0 HA TYR A 58 1.295 -5.953 -12.735 1.00 22.13 H new ATOM 0 HB2 TYR A 58 2.144 -3.436 -11.245 1.00 45.43 H new ATOM 0 HB3 TYR A 58 3.179 -4.831 -11.476 1.00 45.43 H new ATOM 0 HD1 TYR A 58 3.678 -5.542 -13.921 1.00 63.13 H new ATOM 0 HD2 TYR A 58 2.067 -1.740 -12.878 1.00 74.02 H new ATOM 0 HE1 TYR A 58 4.469 -4.621 -16.057 1.00 25.23 H new ATOM 0 HE2 TYR A 58 2.839 -0.821 -15.019 1.00 22.41 H new ATOM 0 HH TYR A 58 3.897 -1.203 -16.918 1.00 61.44 H new ATOM 941 N GLU A 59 1.297 -7.039 -10.486 1.00 64.25 N ATOM 942 CA GLU A 59 1.280 -7.688 -9.193 1.00 70.20 C ATOM 943 C GLU A 59 2.615 -7.442 -8.504 1.00 34.21 C ATOM 944 O GLU A 59 3.666 -7.896 -8.962 1.00 71.21 O ATOM 945 CB GLU A 59 0.974 -9.192 -9.315 1.00 24.45 C ATOM 946 CG GLU A 59 1.930 -9.990 -10.195 1.00 71.42 C ATOM 947 CD GLU A 59 1.797 -9.675 -11.672 1.00 74.44 C ATOM 948 OE1 GLU A 59 0.898 -10.241 -12.329 1.00 73.13 O ATOM 949 OE2 GLU A 59 2.599 -8.865 -12.184 1.00 62.42 O ATOM 0 H GLU A 59 1.645 -7.621 -11.248 1.00 64.25 H new ATOM 0 HA GLU A 59 0.479 -7.262 -8.589 1.00 70.20 H new ATOM 0 HB2 GLU A 59 0.979 -9.628 -8.316 1.00 24.45 H new ATOM 0 HB3 GLU A 59 -0.036 -9.308 -9.708 1.00 24.45 H new ATOM 0 HG2 GLU A 59 2.954 -9.790 -9.880 1.00 71.42 H new ATOM 0 HG3 GLU A 59 1.751 -11.054 -10.041 1.00 71.42 H new ATOM 957 N LEU A 60 2.573 -6.683 -7.430 1.00 11.53 N ATOM 958 CA LEU A 60 3.787 -6.255 -6.758 1.00 14.24 C ATOM 959 C LEU A 60 3.949 -6.944 -5.411 1.00 74.40 C ATOM 960 O LEU A 60 3.036 -6.944 -4.586 1.00 54.43 O ATOM 961 CB LEU A 60 3.774 -4.737 -6.563 1.00 64.34 C ATOM 962 CG LEU A 60 3.680 -3.914 -7.851 1.00 0.30 C ATOM 963 CD1 LEU A 60 3.547 -2.437 -7.526 1.00 50.15 C ATOM 964 CD2 LEU A 60 4.896 -4.152 -8.733 1.00 35.32 C ATOM 0 H LEU A 60 1.711 -6.348 -7.001 1.00 11.53 H new ATOM 0 HA LEU A 60 4.632 -6.535 -7.387 1.00 14.24 H new ATOM 0 HB2 LEU A 60 2.932 -4.476 -5.922 1.00 64.34 H new ATOM 0 HB3 LEU A 60 4.680 -4.447 -6.031 1.00 64.34 H new ATOM 0 HG LEU A 60 2.792 -4.234 -8.397 1.00 0.30 H new ATOM 0 HD11 LEU A 60 3.481 -1.865 -8.452 1.00 50.15 H new ATOM 0 HD12 LEU A 60 2.646 -2.274 -6.934 1.00 50.15 H new ATOM 0 HD13 LEU A 60 4.418 -2.109 -6.958 1.00 50.15 H new ATOM 0 HD21 LEU A 60 4.808 -3.557 -9.642 1.00 35.32 H new ATOM 0 HD22 LEU A 60 5.798 -3.861 -8.195 1.00 35.32 H new ATOM 0 HD23 LEU A 60 4.955 -5.209 -8.995 1.00 35.32 H new ATOM 976 N SER A 61 5.111 -7.544 -5.204 1.00 74.33 N ATOM 977 CA SER A 61 5.450 -8.119 -3.915 1.00 11.25 C ATOM 978 C SER A 61 6.229 -7.098 -3.091 1.00 21.13 C ATOM 979 O SER A 61 7.407 -6.844 -3.350 1.00 11.51 O ATOM 980 CB SER A 61 6.279 -9.392 -4.105 1.00 73.12 C ATOM 981 OG SER A 61 5.619 -10.302 -4.965 1.00 74.14 O ATOM 0 H SER A 61 5.835 -7.645 -5.915 1.00 74.33 H new ATOM 0 HA SER A 61 4.533 -8.381 -3.386 1.00 11.25 H new ATOM 0 HB2 SER A 61 7.255 -9.137 -4.519 1.00 73.12 H new ATOM 0 HB3 SER A 61 6.456 -9.863 -3.138 1.00 73.12 H new ATOM 0 HG SER A 61 6.168 -11.107 -5.073 1.00 74.14 H new ATOM 987 N LEU A 62 5.573 -6.520 -2.098 1.00 63.42 N ATOM 988 CA LEU A 62 6.172 -5.454 -1.315 1.00 60.11 C ATOM 989 C LEU A 62 6.584 -5.967 0.057 1.00 72.33 C ATOM 990 O LEU A 62 5.838 -6.701 0.709 1.00 61.10 O ATOM 991 CB LEU A 62 5.181 -4.295 -1.169 1.00 72.23 C ATOM 992 CG LEU A 62 5.707 -3.060 -0.429 1.00 71.25 C ATOM 993 CD1 LEU A 62 6.800 -2.374 -1.232 1.00 23.34 C ATOM 994 CD2 LEU A 62 4.570 -2.093 -0.139 1.00 3.52 C ATOM 0 H LEU A 62 4.626 -6.772 -1.816 1.00 63.42 H new ATOM 0 HA LEU A 62 7.063 -5.098 -1.832 1.00 60.11 H new ATOM 0 HB2 LEU A 62 4.858 -3.989 -2.164 1.00 72.23 H new ATOM 0 HB3 LEU A 62 4.297 -4.660 -0.646 1.00 72.23 H new ATOM 0 HG LEU A 62 6.136 -3.385 0.519 1.00 71.25 H new ATOM 0 HD11 LEU A 62 7.158 -1.500 -0.687 1.00 23.34 H new ATOM 0 HD12 LEU A 62 7.626 -3.068 -1.389 1.00 23.34 H new ATOM 0 HD13 LEU A 62 6.401 -2.061 -2.197 1.00 23.34 H new ATOM 0 HD21 LEU A 62 4.959 -1.221 0.387 1.00 3.52 H new ATOM 0 HD22 LEU A 62 4.113 -1.777 -1.077 1.00 3.52 H new ATOM 0 HD23 LEU A 62 3.822 -2.587 0.481 1.00 3.52 H new ATOM 1006 N ARG A 63 7.785 -5.604 0.471 1.00 21.04 N ATOM 1007 CA ARG A 63 8.277 -5.952 1.797 1.00 73.30 C ATOM 1008 C ARG A 63 7.593 -5.080 2.842 1.00 65.41 C ATOM 1009 O ARG A 63 7.344 -3.896 2.602 1.00 63.24 O ATOM 1010 CB ARG A 63 9.801 -5.786 1.874 1.00 61.43 C ATOM 1011 CG ARG A 63 10.589 -6.984 1.353 1.00 0.14 C ATOM 1012 CD ARG A 63 10.342 -7.246 -0.125 1.00 73.24 C ATOM 1013 NE ARG A 63 11.069 -8.424 -0.594 1.00 63.32 N ATOM 1014 CZ ARG A 63 10.779 -9.096 -1.708 1.00 65.25 C ATOM 1015 NH1 ARG A 63 9.818 -8.667 -2.525 1.00 63.44 N ATOM 1016 NH2 ARG A 63 11.467 -10.190 -2.013 1.00 15.03 N ATOM 0 H ARG A 63 8.442 -5.066 -0.093 1.00 21.04 H new ATOM 0 HA ARG A 63 8.043 -6.998 1.995 1.00 73.30 H new ATOM 0 HB2 ARG A 63 10.088 -4.902 1.305 1.00 61.43 H new ATOM 0 HB3 ARG A 63 10.083 -5.603 2.911 1.00 61.43 H new ATOM 0 HG2 ARG A 63 11.653 -6.813 1.515 1.00 0.14 H new ATOM 0 HG3 ARG A 63 10.317 -7.870 1.926 1.00 0.14 H new ATOM 0 HD2 ARG A 63 9.275 -7.385 -0.297 1.00 73.24 H new ATOM 0 HD3 ARG A 63 10.647 -6.375 -0.705 1.00 73.24 H new ATOM 0 HE ARG A 63 11.852 -8.755 -0.030 1.00 63.32 H new ATOM 0 HH11 ARG A 63 9.298 -7.819 -2.300 1.00 63.44 H new ATOM 0 HH12 ARG A 63 9.602 -9.187 -3.376 1.00 63.44 H new ATOM 0 HH21 ARG A 63 12.213 -10.512 -1.396 1.00 15.03 H new ATOM 0 HH22 ARG A 63 11.250 -10.708 -2.864 1.00 15.03 H new ATOM 1030 N LYS A 64 7.287 -5.658 3.997 1.00 22.12 N ATOM 1031 CA LYS A 64 6.539 -4.937 5.017 1.00 73.05 C ATOM 1032 C LYS A 64 7.364 -3.793 5.593 1.00 53.51 C ATOM 1033 O LYS A 64 6.805 -2.812 6.074 1.00 51.22 O ATOM 1034 CB LYS A 64 6.059 -5.868 6.139 1.00 45.40 C ATOM 1035 CG LYS A 64 7.152 -6.346 7.078 1.00 5.14 C ATOM 1036 CD LYS A 64 6.553 -7.019 8.304 1.00 54.43 C ATOM 1037 CE LYS A 64 7.616 -7.400 9.322 1.00 63.45 C ATOM 1038 NZ LYS A 64 8.404 -6.223 9.775 1.00 42.24 N ATOM 0 H LYS A 64 7.542 -6.613 4.248 1.00 22.12 H new ATOM 0 HA LYS A 64 5.657 -4.520 4.532 1.00 73.05 H new ATOM 0 HB2 LYS A 64 5.299 -5.349 6.723 1.00 45.40 H new ATOM 0 HB3 LYS A 64 5.578 -6.737 5.690 1.00 45.40 H new ATOM 0 HG2 LYS A 64 7.806 -7.045 6.557 1.00 5.14 H new ATOM 0 HG3 LYS A 64 7.769 -5.502 7.386 1.00 5.14 H new ATOM 0 HD2 LYS A 64 5.830 -6.348 8.769 1.00 54.43 H new ATOM 0 HD3 LYS A 64 6.008 -7.912 7.997 1.00 54.43 H new ATOM 0 HE2 LYS A 64 7.141 -7.871 10.183 1.00 63.45 H new ATOM 0 HE3 LYS A 64 8.288 -8.139 8.885 1.00 63.45 H new ATOM 0 HZ1 LYS A 64 8.595 -6.305 10.794 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 9.304 -6.187 9.255 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 7.864 -5.353 9.593 1.00 42.24 H new ATOM 1052 N SER A 65 8.690 -3.911 5.520 1.00 50.31 N ATOM 1053 CA SER A 65 9.578 -2.847 5.972 1.00 31.41 C ATOM 1054 C SER A 65 9.199 -1.519 5.312 1.00 52.45 C ATOM 1055 O SER A 65 9.279 -0.460 5.928 1.00 44.12 O ATOM 1056 CB SER A 65 11.032 -3.207 5.653 1.00 34.50 C ATOM 1057 OG SER A 65 11.375 -4.469 6.201 1.00 54.41 O ATOM 0 H SER A 65 9.170 -4.733 5.152 1.00 50.31 H new ATOM 0 HA SER A 65 9.473 -2.736 7.051 1.00 31.41 H new ATOM 0 HB2 SER A 65 11.178 -3.224 4.573 1.00 34.50 H new ATOM 0 HB3 SER A 65 11.696 -2.440 6.052 1.00 34.50 H new ATOM 0 HG SER A 65 12.307 -4.678 5.983 1.00 54.41 H new ATOM 1063 N ALA A 66 8.786 -1.590 4.053 1.00 14.15 N ATOM 1064 CA ALA A 66 8.285 -0.422 3.345 1.00 42.30 C ATOM 1065 C ALA A 66 6.850 -0.101 3.763 1.00 1.43 C ATOM 1066 O ALA A 66 6.537 1.034 4.126 1.00 45.14 O ATOM 1067 CB ALA A 66 8.364 -0.640 1.842 1.00 60.25 C ATOM 0 H ALA A 66 8.789 -2.448 3.501 1.00 14.15 H new ATOM 0 HA ALA A 66 8.912 0.429 3.609 1.00 42.30 H new ATOM 0 HB1 ALA A 66 7.986 0.242 1.326 1.00 60.25 H new ATOM 0 HB2 ALA A 66 9.401 -0.812 1.553 1.00 60.25 H new ATOM 0 HB3 ALA A 66 7.762 -1.506 1.568 1.00 60.25 H new ATOM 1073 N ALA A 67 5.990 -1.121 3.732 1.00 42.20 N ATOM 1074 CA ALA A 67 4.548 -0.948 3.951 1.00 25.25 C ATOM 1075 C ALA A 67 4.224 -0.393 5.341 1.00 34.31 C ATOM 1076 O ALA A 67 3.220 0.301 5.518 1.00 5.11 O ATOM 1077 CB ALA A 67 3.816 -2.265 3.724 1.00 41.11 C ATOM 0 H ALA A 67 6.269 -2.086 3.556 1.00 42.20 H new ATOM 0 HA ALA A 67 4.203 -0.211 3.226 1.00 25.25 H new ATOM 0 HB1 ALA A 67 2.748 -2.121 3.890 1.00 41.11 H new ATOM 0 HB2 ALA A 67 3.982 -2.602 2.701 1.00 41.11 H new ATOM 0 HB3 ALA A 67 4.193 -3.015 4.419 1.00 41.11 H new ATOM 1083 N GLU A 68 5.067 -0.686 6.322 1.00 75.41 N ATOM 1084 CA GLU A 68 4.831 -0.227 7.688 1.00 31.41 C ATOM 1085 C GLU A 68 5.177 1.255 7.841 1.00 70.32 C ATOM 1086 O GLU A 68 4.837 1.885 8.848 1.00 14.20 O ATOM 1087 CB GLU A 68 5.634 -1.070 8.686 1.00 1.43 C ATOM 1088 CG GLU A 68 5.295 -2.550 8.622 1.00 32.13 C ATOM 1089 CD GLU A 68 5.946 -3.371 9.715 1.00 55.13 C ATOM 1090 OE1 GLU A 68 5.274 -3.637 10.732 1.00 1.30 O ATOM 1091 OE2 GLU A 68 7.118 -3.769 9.556 1.00 11.33 O ATOM 0 H GLU A 68 5.917 -1.237 6.201 1.00 75.41 H new ATOM 0 HA GLU A 68 3.769 -0.349 7.903 1.00 31.41 H new ATOM 0 HB2 GLU A 68 6.698 -0.938 8.491 1.00 1.43 H new ATOM 0 HB3 GLU A 68 5.447 -0.704 9.695 1.00 1.43 H new ATOM 0 HG2 GLU A 68 4.213 -2.669 8.686 1.00 32.13 H new ATOM 0 HG3 GLU A 68 5.602 -2.943 7.653 1.00 32.13 H new ATOM 1099 N MET A 69 5.846 1.804 6.837 1.00 63.21 N ATOM 1100 CA MET A 69 6.220 3.214 6.837 1.00 2.04 C ATOM 1101 C MET A 69 5.363 4.002 5.849 1.00 12.05 C ATOM 1102 O MET A 69 5.534 5.215 5.686 1.00 25.22 O ATOM 1103 CB MET A 69 7.704 3.381 6.487 1.00 1.44 C ATOM 1104 CG MET A 69 8.658 3.114 7.646 1.00 41.30 C ATOM 1105 SD MET A 69 8.540 1.439 8.305 1.00 33.44 S ATOM 1106 CE MET A 69 9.902 1.441 9.467 1.00 72.31 C ATOM 0 H MET A 69 6.143 1.292 6.006 1.00 63.21 H new ATOM 0 HA MET A 69 6.048 3.605 7.840 1.00 2.04 H new ATOM 0 HB2 MET A 69 7.950 2.706 5.667 1.00 1.44 H new ATOM 0 HB3 MET A 69 7.867 4.396 6.124 1.00 1.44 H new ATOM 0 HG2 MET A 69 9.680 3.294 7.313 1.00 41.30 H new ATOM 0 HG3 MET A 69 8.453 3.826 8.446 1.00 41.30 H new ATOM 0 HE1 MET A 69 9.962 0.470 9.959 1.00 72.31 H new ATOM 0 HE2 MET A 69 10.833 1.637 8.936 1.00 72.31 H new ATOM 0 HE3 MET A 69 9.741 2.217 10.215 1.00 72.31 H new ATOM 1116 N ILE A 70 4.438 3.313 5.197 1.00 51.34 N ATOM 1117 CA ILE A 70 3.557 3.943 4.222 1.00 74.21 C ATOM 1118 C ILE A 70 2.279 4.436 4.894 1.00 32.44 C ATOM 1119 O ILE A 70 1.670 3.718 5.686 1.00 62.12 O ATOM 1120 CB ILE A 70 3.202 2.969 3.074 1.00 13.44 C ATOM 1121 CG1 ILE A 70 4.466 2.562 2.310 1.00 23.45 C ATOM 1122 CG2 ILE A 70 2.189 3.595 2.125 1.00 31.34 C ATOM 1123 CD1 ILE A 70 4.211 1.575 1.190 1.00 42.24 C ATOM 0 H ILE A 70 4.277 2.314 5.326 1.00 51.34 H new ATOM 0 HA ILE A 70 4.090 4.794 3.799 1.00 74.21 H new ATOM 0 HB ILE A 70 2.754 2.077 3.511 1.00 13.44 H new ATOM 0 HG12 ILE A 70 4.932 3.456 1.895 1.00 23.45 H new ATOM 0 HG13 ILE A 70 5.179 2.126 3.011 1.00 23.45 H new ATOM 0 HG21 ILE A 70 1.955 2.891 1.326 1.00 31.34 H new ATOM 0 HG22 ILE A 70 1.278 3.837 2.673 1.00 31.34 H new ATOM 0 HG23 ILE A 70 2.607 4.505 1.695 1.00 31.34 H new ATOM 0 HD11 ILE A 70 5.152 1.335 0.696 1.00 42.24 H new ATOM 0 HD12 ILE A 70 3.773 0.665 1.600 1.00 42.24 H new ATOM 0 HD13 ILE A 70 3.524 2.014 0.467 1.00 42.24 H new ATOM 1135 N GLU A 71 1.893 5.667 4.581 1.00 13.11 N ATOM 1136 CA GLU A 71 0.683 6.270 5.127 1.00 14.30 C ATOM 1137 C GLU A 71 -0.445 6.167 4.105 1.00 71.21 C ATOM 1138 O GLU A 71 -0.415 6.830 3.062 1.00 73.33 O ATOM 1139 CB GLU A 71 0.945 7.740 5.463 1.00 3.13 C ATOM 1140 CG GLU A 71 -0.210 8.446 6.152 1.00 34.21 C ATOM 1141 CD GLU A 71 -0.207 8.224 7.647 1.00 64.10 C ATOM 1142 OE1 GLU A 71 -1.110 7.529 8.153 1.00 23.20 O ATOM 1143 OE2 GLU A 71 0.713 8.744 8.319 1.00 52.41 O ATOM 0 H GLU A 71 2.408 6.274 3.943 1.00 13.11 H new ATOM 0 HA GLU A 71 0.395 5.742 6.036 1.00 14.30 H new ATOM 0 HB2 GLU A 71 1.825 7.802 6.103 1.00 3.13 H new ATOM 0 HB3 GLU A 71 1.182 8.273 4.542 1.00 3.13 H new ATOM 0 HG2 GLU A 71 -0.155 9.515 5.945 1.00 34.21 H new ATOM 0 HG3 GLU A 71 -1.152 8.089 5.736 1.00 34.21 H new ATOM 1151 N VAL A 72 -1.424 5.324 4.390 1.00 62.22 N ATOM 1152 CA VAL A 72 -2.538 5.121 3.476 1.00 4.35 C ATOM 1153 C VAL A 72 -3.870 5.321 4.184 1.00 55.21 C ATOM 1154 O VAL A 72 -3.938 5.346 5.412 1.00 35.04 O ATOM 1155 CB VAL A 72 -2.514 3.710 2.839 1.00 12.15 C ATOM 1156 CG1 VAL A 72 -1.302 3.539 1.939 1.00 1.03 C ATOM 1157 CG2 VAL A 72 -2.535 2.629 3.911 1.00 22.15 C ATOM 0 H VAL A 72 -1.471 4.770 5.245 1.00 62.22 H new ATOM 0 HA VAL A 72 -2.429 5.863 2.685 1.00 4.35 H new ATOM 0 HB VAL A 72 -3.411 3.606 2.228 1.00 12.15 H new ATOM 0 HG11 VAL A 72 -1.310 2.539 1.504 1.00 1.03 H new ATOM 0 HG12 VAL A 72 -1.333 4.282 1.142 1.00 1.03 H new ATOM 0 HG13 VAL A 72 -0.392 3.673 2.524 1.00 1.03 H new ATOM 0 HG21 VAL A 72 -2.518 1.647 3.438 1.00 22.15 H new ATOM 0 HG22 VAL A 72 -1.662 2.737 4.554 1.00 22.15 H new ATOM 0 HG23 VAL A 72 -3.441 2.727 4.509 1.00 22.15 H new ATOM 1167 N GLU A 73 -4.924 5.476 3.401 1.00 55.02 N ATOM 1168 CA GLU A 73 -6.271 5.553 3.940 1.00 22.31 C ATOM 1169 C GLU A 73 -7.084 4.368 3.438 1.00 75.40 C ATOM 1170 O GLU A 73 -6.904 3.929 2.301 1.00 2.13 O ATOM 1171 CB GLU A 73 -6.955 6.866 3.539 1.00 54.03 C ATOM 1172 CG GLU A 73 -7.106 7.046 2.036 1.00 11.22 C ATOM 1173 CD GLU A 73 -8.023 8.196 1.667 1.00 51.13 C ATOM 1174 OE1 GLU A 73 -7.519 9.284 1.317 1.00 53.53 O ATOM 1175 OE2 GLU A 73 -9.257 8.011 1.712 1.00 72.43 O ATOM 0 H GLU A 73 -4.872 5.551 2.385 1.00 55.02 H new ATOM 0 HA GLU A 73 -6.211 5.525 5.028 1.00 22.31 H new ATOM 0 HB2 GLU A 73 -7.941 6.907 4.001 1.00 54.03 H new ATOM 0 HB3 GLU A 73 -6.380 7.701 3.940 1.00 54.03 H new ATOM 0 HG2 GLU A 73 -6.124 7.216 1.595 1.00 11.22 H new ATOM 0 HG3 GLU A 73 -7.495 6.125 1.602 1.00 11.22 H new ATOM 1183 N LEU A 74 -7.971 3.851 4.274 1.00 32.11 N ATOM 1184 CA LEU A 74 -8.815 2.726 3.890 1.00 23.45 C ATOM 1185 C LEU A 74 -10.050 3.243 3.152 1.00 54.33 C ATOM 1186 O LEU A 74 -11.176 2.854 3.468 1.00 63.04 O ATOM 1187 CB LEU A 74 -9.237 1.934 5.138 1.00 74.24 C ATOM 1188 CG LEU A 74 -9.295 0.404 4.982 1.00 63.01 C ATOM 1189 CD1 LEU A 74 -10.131 -0.002 3.779 1.00 33.52 C ATOM 1190 CD2 LEU A 74 -7.895 -0.178 4.879 1.00 31.20 C ATOM 0 H LEU A 74 -8.126 4.191 5.223 1.00 32.11 H new ATOM 0 HA LEU A 74 -8.254 2.064 3.230 1.00 23.45 H new ATOM 0 HB2 LEU A 74 -8.543 2.170 5.945 1.00 74.24 H new ATOM 0 HB3 LEU A 74 -10.221 2.284 5.450 1.00 74.24 H new ATOM 0 HG LEU A 74 -9.776 -0.000 5.873 1.00 63.01 H new ATOM 0 HD11 LEU A 74 -10.150 -1.089 3.699 1.00 33.52 H new ATOM 0 HD12 LEU A 74 -11.148 0.371 3.900 1.00 33.52 H new ATOM 0 HD13 LEU A 74 -9.695 0.420 2.874 1.00 33.52 H new ATOM 0 HD21 LEU A 74 -7.958 -1.261 4.769 1.00 31.20 H new ATOM 0 HD22 LEU A 74 -7.388 0.246 4.012 1.00 31.20 H new ATOM 0 HD23 LEU A 74 -7.333 0.063 5.782 1.00 31.20 H new