USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 87:sc= 1.69 USER MOD Set 1.2: A 65 SER OG : rot -169:sc= 1.14 USER MOD Set 1.3: A 74 GLN : amide:sc= -2.04! C(o=0.78!,f=-0.13!) USER MOD Single : A 3 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.18) USER MOD Single : A 7 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.058) USER MOD Single : A 13 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-1.7!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= -0.526 (180deg=-2.37!) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= 0.807 (180deg=0.507) USER MOD Single : A 21 SER OG : rot -110:sc= -0.807 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0321) USER MOD Single : A 29 MET CE :methyl -135:sc= -4.18! (180deg=-6.09!) USER MOD Single : A 32 TYR OH : rot 120:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.006) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc=-0.00301 (180deg=-0.109) USER MOD Single : A 45 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.066) USER MOD Single : A 50 SER OG : rot -105:sc= 0.614 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.47! C(o=-5.1!,f=-3.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= -2.08! (180deg=-4.31!) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.902 (180deg=0.882) USER MOD Single : A 76 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.72) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc=-0.00184 USER MOD Single : A 90 LYS NZ :NH3+ -134:sc= 2.25 (180deg=-0.198) USER MOD Single : A 95 LYS NZ :NH3+ -138:sc= -1.38 (180deg=-3.93!) USER MOD Single : A 96 TYR OH : rot 130:sc= 0.953 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -9.931 -8.947 15.825 1.00 54.30 N ATOM 21 CA ASP A 2 -10.461 -9.757 14.726 1.00 35.41 C ATOM 22 C ASP A 2 -9.345 -10.335 13.841 1.00 5.35 C ATOM 23 O ASP A 2 -8.463 -9.608 13.376 1.00 73.40 O ATOM 24 CB ASP A 2 -11.425 -8.914 13.889 1.00 13.54 C ATOM 25 CG ASP A 2 -12.540 -8.339 14.739 1.00 33.34 C ATOM 26 OD1 ASP A 2 -13.514 -9.068 15.019 1.00 10.13 O ATOM 27 OD2 ASP A 2 -12.442 -7.161 15.144 1.00 31.25 O ATOM 0 HA ASP A 2 -10.993 -10.604 15.159 1.00 35.41 H new ATOM 0 HB2 ASP A 2 -10.878 -8.103 13.408 1.00 13.54 H new ATOM 0 HB3 ASP A 2 -11.851 -9.527 13.095 1.00 13.54 H new ATOM 32 N GLN A 3 -9.408 -11.647 13.601 1.00 21.24 N ATOM 33 CA GLN A 3 -8.398 -12.351 12.799 1.00 44.23 C ATOM 34 C GLN A 3 -8.194 -11.705 11.421 1.00 31.33 C ATOM 35 O GLN A 3 -7.088 -11.721 10.884 1.00 55.02 O ATOM 36 CB GLN A 3 -8.778 -13.829 12.631 1.00 33.42 C ATOM 37 CG GLN A 3 -8.703 -14.644 13.919 1.00 32.25 C ATOM 38 CD GLN A 3 -7.293 -14.717 14.486 1.00 61.21 C ATOM 39 OE1 GLN A 3 -6.896 -13.902 15.310 1.00 53.25 O ATOM 40 NE2 GLN A 3 -6.519 -15.685 14.030 1.00 32.23 N ATOM 0 H GLN A 3 -10.153 -12.249 13.953 1.00 21.24 H new ATOM 0 HA GLN A 3 -7.455 -12.277 13.341 1.00 44.23 H new ATOM 0 HB2 GLN A 3 -9.792 -13.889 12.235 1.00 33.42 H new ATOM 0 HB3 GLN A 3 -8.118 -14.280 11.890 1.00 33.42 H new ATOM 0 HG2 GLN A 3 -9.367 -14.203 14.662 1.00 32.25 H new ATOM 0 HG3 GLN A 3 -9.066 -15.654 13.727 1.00 32.25 H new ATOM 0 HE21 GLN A 3 -6.881 -16.347 13.344 1.00 32.23 H new ATOM 0 HE22 GLN A 3 -5.559 -15.770 14.364 1.00 32.23 H new ATOM 49 N PHE A 4 -9.259 -11.141 10.852 1.00 23.02 N ATOM 50 CA PHE A 4 -9.159 -10.439 9.568 1.00 44.21 C ATOM 51 C PHE A 4 -8.092 -9.336 9.632 1.00 73.22 C ATOM 52 O PHE A 4 -7.167 -9.300 8.818 1.00 32.54 O ATOM 53 CB PHE A 4 -10.516 -9.835 9.174 1.00 53.35 C ATOM 54 CG PHE A 4 -10.487 -9.084 7.865 1.00 62.20 C ATOM 55 CD1 PHE A 4 -10.482 -9.773 6.660 1.00 73.32 C ATOM 56 CD2 PHE A 4 -10.457 -7.696 7.838 1.00 45.33 C ATOM 57 CE1 PHE A 4 -10.449 -9.094 5.458 1.00 24.33 C ATOM 58 CE2 PHE A 4 -10.425 -7.013 6.637 1.00 34.21 C ATOM 59 CZ PHE A 4 -10.420 -7.713 5.446 1.00 52.51 C ATOM 0 H PHE A 4 -10.196 -11.155 11.255 1.00 23.02 H new ATOM 0 HA PHE A 4 -8.865 -11.165 8.810 1.00 44.21 H new ATOM 0 HB2 PHE A 4 -11.254 -10.634 9.108 1.00 53.35 H new ATOM 0 HB3 PHE A 4 -10.846 -9.160 9.963 1.00 53.35 H new ATOM 0 HD1 PHE A 4 -10.504 -10.853 6.663 1.00 73.32 H new ATOM 0 HD2 PHE A 4 -10.459 -7.144 8.766 1.00 45.33 H new ATOM 0 HE1 PHE A 4 -10.446 -9.642 4.528 1.00 24.33 H new ATOM 0 HE2 PHE A 4 -10.404 -5.933 6.630 1.00 34.21 H new ATOM 0 HZ PHE A 4 -10.393 -7.181 4.506 1.00 52.51 H new ATOM 69 N LEU A 5 -8.216 -8.460 10.624 1.00 40.04 N ATOM 70 CA LEU A 5 -7.265 -7.361 10.808 1.00 61.32 C ATOM 71 C LEU A 5 -5.878 -7.882 11.212 1.00 70.21 C ATOM 72 O LEU A 5 -4.859 -7.413 10.709 1.00 24.55 O ATOM 73 CB LEU A 5 -7.792 -6.374 11.860 1.00 74.03 C ATOM 74 CG LEU A 5 -9.140 -5.714 11.523 1.00 2.41 C ATOM 75 CD1 LEU A 5 -9.574 -4.768 12.639 1.00 12.51 C ATOM 76 CD2 LEU A 5 -9.064 -4.977 10.185 1.00 41.31 C ATOM 0 H LEU A 5 -8.965 -8.487 11.315 1.00 40.04 H new ATOM 0 HA LEU A 5 -7.162 -6.843 9.855 1.00 61.32 H new ATOM 0 HB2 LEU A 5 -7.890 -6.899 12.810 1.00 74.03 H new ATOM 0 HB3 LEU A 5 -7.048 -5.590 12.004 1.00 74.03 H new ATOM 0 HG LEU A 5 -9.890 -6.500 11.435 1.00 2.41 H new ATOM 0 HD11 LEU A 5 -10.530 -4.313 12.379 1.00 12.51 H new ATOM 0 HD12 LEU A 5 -9.679 -5.327 13.569 1.00 12.51 H new ATOM 0 HD13 LEU A 5 -8.823 -3.988 12.767 1.00 12.51 H new ATOM 0 HD21 LEU A 5 -10.028 -4.518 9.967 1.00 41.31 H new ATOM 0 HD22 LEU A 5 -8.298 -4.203 10.239 1.00 41.31 H new ATOM 0 HD23 LEU A 5 -8.811 -5.683 9.394 1.00 41.31 H new ATOM 88 N VAL A 6 -5.852 -8.863 12.115 1.00 32.03 N ATOM 89 CA VAL A 6 -4.592 -9.457 12.590 1.00 31.15 C ATOM 90 C VAL A 6 -3.738 -9.998 11.428 1.00 70.44 C ATOM 91 O VAL A 6 -2.538 -9.733 11.352 1.00 24.05 O ATOM 92 CB VAL A 6 -4.857 -10.601 13.605 1.00 71.21 C ATOM 93 CG1 VAL A 6 -3.547 -11.242 14.067 1.00 32.02 C ATOM 94 CG2 VAL A 6 -5.660 -10.088 14.800 1.00 25.25 C ATOM 0 H VAL A 6 -6.689 -9.267 12.536 1.00 32.03 H new ATOM 0 HA VAL A 6 -4.040 -8.657 13.084 1.00 31.15 H new ATOM 0 HB VAL A 6 -5.445 -11.368 13.101 1.00 71.21 H new ATOM 0 HG11 VAL A 6 -3.763 -12.040 14.777 1.00 32.02 H new ATOM 0 HG12 VAL A 6 -3.021 -11.655 13.206 1.00 32.02 H new ATOM 0 HG13 VAL A 6 -2.923 -10.488 14.547 1.00 32.02 H new ATOM 0 HG21 VAL A 6 -5.835 -10.906 15.499 1.00 25.25 H new ATOM 0 HG22 VAL A 6 -5.102 -9.296 15.300 1.00 25.25 H new ATOM 0 HG23 VAL A 6 -6.616 -9.696 14.454 1.00 25.25 H new ATOM 104 N GLN A 7 -4.367 -10.744 10.519 1.00 21.24 N ATOM 105 CA GLN A 7 -3.652 -11.369 9.397 1.00 3.05 C ATOM 106 C GLN A 7 -3.166 -10.331 8.368 1.00 23.21 C ATOM 107 O GLN A 7 -1.984 -10.307 8.018 1.00 41.00 O ATOM 108 CB GLN A 7 -4.541 -12.416 8.708 1.00 30.01 C ATOM 109 CG GLN A 7 -5.004 -13.548 9.626 1.00 11.04 C ATOM 110 CD GLN A 7 -3.852 -14.316 10.254 1.00 42.44 C ATOM 111 OE1 GLN A 7 -3.366 -15.295 9.697 1.00 41.11 O ATOM 112 NE2 GLN A 7 -3.407 -13.884 11.419 1.00 13.52 N ATOM 0 H GLN A 7 -5.369 -10.932 10.535 1.00 21.24 H new ATOM 0 HA GLN A 7 -2.772 -11.860 9.812 1.00 3.05 H new ATOM 0 HB2 GLN A 7 -5.418 -11.917 8.295 1.00 30.01 H new ATOM 0 HB3 GLN A 7 -3.994 -12.845 7.869 1.00 30.01 H new ATOM 0 HG2 GLN A 7 -5.630 -13.134 10.416 1.00 11.04 H new ATOM 0 HG3 GLN A 7 -5.625 -14.239 9.056 1.00 11.04 H new ATOM 0 HE21 GLN A 7 -3.833 -13.067 11.856 1.00 13.52 H new ATOM 0 HE22 GLN A 7 -2.637 -14.367 11.882 1.00 13.52 H new ATOM 121 N ILE A 8 -4.071 -9.472 7.887 1.00 72.03 N ATOM 122 CA ILE A 8 -3.706 -8.475 6.869 1.00 41.21 C ATOM 123 C ILE A 8 -2.593 -7.531 7.370 1.00 73.24 C ATOM 124 O ILE A 8 -1.629 -7.264 6.652 1.00 70.43 O ATOM 125 CB ILE A 8 -4.929 -7.642 6.386 1.00 13.04 C ATOM 126 CG1 ILE A 8 -5.565 -6.863 7.549 1.00 24.23 C ATOM 127 CG2 ILE A 8 -5.967 -8.547 5.716 1.00 25.43 C ATOM 128 CD1 ILE A 8 -6.724 -5.976 7.139 1.00 51.14 C ATOM 0 H ILE A 8 -5.048 -9.444 8.179 1.00 72.03 H new ATOM 0 HA ILE A 8 -3.329 -9.041 6.017 1.00 41.21 H new ATOM 0 HB ILE A 8 -4.572 -6.919 5.652 1.00 13.04 H new ATOM 0 HG12 ILE A 8 -5.912 -7.572 8.300 1.00 24.23 H new ATOM 0 HG13 ILE A 8 -4.800 -6.247 8.021 1.00 24.23 H new ATOM 0 HG21 ILE A 8 -6.814 -7.946 5.385 1.00 25.43 H new ATOM 0 HG22 ILE A 8 -5.516 -9.043 4.856 1.00 25.43 H new ATOM 0 HG23 ILE A 8 -6.310 -9.297 6.429 1.00 25.43 H new ATOM 0 HD11 ILE A 8 -7.117 -5.462 8.016 1.00 51.14 H new ATOM 0 HD12 ILE A 8 -6.380 -5.241 6.411 1.00 51.14 H new ATOM 0 HD13 ILE A 8 -7.510 -6.587 6.694 1.00 51.14 H new ATOM 140 N PHE A 9 -2.715 -7.051 8.611 1.00 13.01 N ATOM 141 CA PHE A 9 -1.692 -6.176 9.200 1.00 24.13 C ATOM 142 C PHE A 9 -0.357 -6.918 9.373 1.00 75.43 C ATOM 143 O PHE A 9 0.712 -6.368 9.095 1.00 5.15 O ATOM 144 CB PHE A 9 -2.161 -5.620 10.555 1.00 30.13 C ATOM 145 CG PHE A 9 -3.385 -4.733 10.486 1.00 34.20 C ATOM 146 CD1 PHE A 9 -3.820 -4.193 9.281 1.00 43.03 C ATOM 147 CD2 PHE A 9 -4.098 -4.431 11.641 1.00 44.40 C ATOM 148 CE1 PHE A 9 -4.933 -3.375 9.233 1.00 0.10 C ATOM 149 CE2 PHE A 9 -5.213 -3.616 11.594 1.00 52.23 C ATOM 150 CZ PHE A 9 -5.631 -3.088 10.389 1.00 34.34 C ATOM 0 H PHE A 9 -3.505 -7.250 9.225 1.00 13.01 H new ATOM 0 HA PHE A 9 -1.538 -5.344 8.512 1.00 24.13 H new ATOM 0 HB2 PHE A 9 -2.372 -6.456 11.222 1.00 30.13 H new ATOM 0 HB3 PHE A 9 -1.344 -5.054 11.002 1.00 30.13 H new ATOM 0 HD1 PHE A 9 -3.282 -4.415 8.371 1.00 43.03 H new ATOM 0 HD2 PHE A 9 -3.776 -4.839 12.588 1.00 44.40 H new ATOM 0 HE1 PHE A 9 -5.257 -2.960 8.290 1.00 0.10 H new ATOM 0 HE2 PHE A 9 -5.757 -3.392 12.500 1.00 52.23 H new ATOM 0 HZ PHE A 9 -6.503 -2.451 10.351 1.00 34.34 H new ATOM 160 N ALA A 10 -0.427 -8.170 9.828 1.00 42.24 N ATOM 161 CA ALA A 10 0.769 -9.009 10.002 1.00 73.00 C ATOM 162 C ALA A 10 1.568 -9.134 8.695 1.00 71.31 C ATOM 163 O ALA A 10 2.796 -9.246 8.709 1.00 23.43 O ATOM 164 CB ALA A 10 0.371 -10.390 10.512 1.00 4.33 C ATOM 0 H ALA A 10 -1.300 -8.630 10.085 1.00 42.24 H new ATOM 0 HA ALA A 10 1.412 -8.526 10.738 1.00 73.00 H new ATOM 0 HB1 ALA A 10 1.264 -11.003 10.637 1.00 4.33 H new ATOM 0 HB2 ALA A 10 -0.139 -10.291 11.470 1.00 4.33 H new ATOM 0 HB3 ALA A 10 -0.297 -10.865 9.793 1.00 4.33 H new ATOM 170 N VAL A 11 0.861 -9.124 7.567 1.00 42.44 N ATOM 171 CA VAL A 11 1.503 -9.144 6.250 1.00 53.21 C ATOM 172 C VAL A 11 2.085 -7.763 5.895 1.00 51.35 C ATOM 173 O VAL A 11 3.164 -7.668 5.310 1.00 51.25 O ATOM 174 CB VAL A 11 0.509 -9.586 5.142 1.00 25.03 C ATOM 175 CG1 VAL A 11 1.187 -9.612 3.771 1.00 43.11 C ATOM 176 CG2 VAL A 11 -0.092 -10.952 5.471 1.00 22.14 C ATOM 0 H VAL A 11 -0.158 -9.102 7.536 1.00 42.44 H new ATOM 0 HA VAL A 11 2.315 -9.869 6.302 1.00 53.21 H new ATOM 0 HB VAL A 11 -0.298 -8.854 5.104 1.00 25.03 H new ATOM 0 HG11 VAL A 11 0.467 -9.925 3.015 1.00 43.11 H new ATOM 0 HG12 VAL A 11 1.557 -8.616 3.529 1.00 43.11 H new ATOM 0 HG13 VAL A 11 2.021 -10.314 3.791 1.00 43.11 H new ATOM 0 HG21 VAL A 11 -0.786 -11.244 4.683 1.00 22.14 H new ATOM 0 HG22 VAL A 11 0.705 -11.692 5.545 1.00 22.14 H new ATOM 0 HG23 VAL A 11 -0.625 -10.896 6.420 1.00 22.14 H new ATOM 186 N ILE A 12 1.373 -6.700 6.266 1.00 60.04 N ATOM 187 CA ILE A 12 1.814 -5.326 5.976 1.00 12.41 C ATOM 188 C ILE A 12 3.110 -4.964 6.729 1.00 75.21 C ATOM 189 O ILE A 12 3.960 -4.242 6.206 1.00 1.34 O ATOM 190 CB ILE A 12 0.705 -4.298 6.316 1.00 11.14 C ATOM 191 CG1 ILE A 12 -0.557 -4.581 5.483 1.00 40.41 C ATOM 192 CG2 ILE A 12 1.195 -2.867 6.077 1.00 42.20 C ATOM 193 CD1 ILE A 12 -1.736 -3.693 5.823 1.00 3.30 C ATOM 0 H ILE A 12 0.487 -6.758 6.768 1.00 60.04 H new ATOM 0 HA ILE A 12 2.020 -5.284 4.907 1.00 12.41 H new ATOM 0 HB ILE A 12 0.457 -4.399 7.373 1.00 11.14 H new ATOM 0 HG12 ILE A 12 -0.317 -4.459 4.427 1.00 40.41 H new ATOM 0 HG13 ILE A 12 -0.847 -5.622 5.626 1.00 40.41 H new ATOM 0 HG21 ILE A 12 0.399 -2.164 6.323 1.00 42.20 H new ATOM 0 HG22 ILE A 12 2.061 -2.669 6.708 1.00 42.20 H new ATOM 0 HG23 ILE A 12 1.474 -2.748 5.030 1.00 42.20 H new ATOM 0 HD11 ILE A 12 -2.584 -3.957 5.192 1.00 3.30 H new ATOM 0 HD12 ILE A 12 -2.006 -3.832 6.870 1.00 3.30 H new ATOM 0 HD13 ILE A 12 -1.467 -2.650 5.653 1.00 3.30 H new ATOM 205 N HIS A 13 3.270 -5.472 7.951 1.00 61.23 N ATOM 206 CA HIS A 13 4.521 -5.273 8.703 1.00 24.32 C ATOM 207 C HIS A 13 5.716 -5.963 8.019 1.00 2.21 C ATOM 208 O HIS A 13 6.871 -5.748 8.397 1.00 52.21 O ATOM 209 CB HIS A 13 4.387 -5.785 10.146 1.00 13.42 C ATOM 210 CG HIS A 13 3.535 -4.919 11.026 1.00 31.41 C ATOM 211 ND1 HIS A 13 4.030 -3.761 11.582 1.00 33.31 N ATOM 212 CD2 HIS A 13 2.256 -5.088 11.431 1.00 33.40 C ATOM 213 CE1 HIS A 13 3.048 -3.258 12.305 1.00 60.44 C ATOM 214 NE2 HIS A 13 1.953 -4.027 12.248 1.00 0.12 N ATOM 0 H HIS A 13 2.562 -6.019 8.441 1.00 61.23 H new ATOM 0 HA HIS A 13 4.709 -4.199 8.721 1.00 24.32 H new ATOM 0 HB2 HIS A 13 3.966 -6.790 10.126 1.00 13.42 H new ATOM 0 HB3 HIS A 13 5.381 -5.865 10.586 1.00 13.42 H new ATOM 0 HD2 HIS A 13 1.599 -5.902 11.163 1.00 33.40 H new ATOM 0 HE1 HIS A 13 3.118 -2.341 12.872 1.00 60.44 H new ATOM 0 HE2 HIS A 13 1.065 -3.857 12.720 1.00 0.12 H new ATOM 222 N GLN A 14 5.436 -6.792 7.012 1.00 50.51 N ATOM 223 CA GLN A 14 6.483 -7.521 6.289 1.00 52.11 C ATOM 224 C GLN A 14 6.900 -6.796 4.998 1.00 41.21 C ATOM 225 O GLN A 14 7.755 -7.285 4.259 1.00 15.21 O ATOM 226 CB GLN A 14 6.008 -8.947 5.969 1.00 33.12 C ATOM 227 CG GLN A 14 5.624 -9.751 7.209 1.00 53.45 C ATOM 228 CD GLN A 14 5.161 -11.168 6.899 1.00 55.03 C ATOM 229 OE1 GLN A 14 4.546 -11.367 5.751 1.00 74.51 O flip ATOM 230 NE2 GLN A 14 5.345 -12.079 7.700 1.00 1.23 N flip ATOM 0 H GLN A 14 4.490 -6.977 6.677 1.00 50.51 H new ATOM 0 HA GLN A 14 7.359 -7.568 6.935 1.00 52.11 H new ATOM 0 HB2 GLN A 14 5.150 -8.894 5.299 1.00 33.12 H new ATOM 0 HB3 GLN A 14 6.798 -9.474 5.434 1.00 33.12 H new ATOM 0 HG2 GLN A 14 6.481 -9.797 7.881 1.00 53.45 H new ATOM 0 HG3 GLN A 14 4.830 -9.226 7.740 1.00 53.45 H new ATOM 0 HE21 GLN A 14 5.825 -11.894 8.581 1.00 1.23 H new ATOM 0 HE22 GLN A 14 5.018 -13.021 7.485 1.00 1.23 H new ATOM 239 N ILE A 15 6.306 -5.628 4.732 1.00 53.04 N ATOM 240 CA ILE A 15 6.651 -4.845 3.536 1.00 34.23 C ATOM 241 C ILE A 15 8.062 -4.233 3.655 1.00 21.13 C ATOM 242 O ILE A 15 8.317 -3.407 4.534 1.00 52.31 O ATOM 243 CB ILE A 15 5.626 -3.706 3.274 1.00 44.13 C ATOM 244 CG1 ILE A 15 4.204 -4.276 3.126 1.00 14.31 C ATOM 245 CG2 ILE A 15 6.017 -2.903 2.029 1.00 64.24 C ATOM 246 CD1 ILE A 15 4.049 -5.260 1.987 1.00 62.13 C ATOM 0 H ILE A 15 5.590 -5.205 5.322 1.00 53.04 H new ATOM 0 HA ILE A 15 6.627 -5.539 2.696 1.00 34.23 H new ATOM 0 HB ILE A 15 5.637 -3.034 4.133 1.00 44.13 H new ATOM 0 HG12 ILE A 15 3.922 -4.767 4.057 1.00 14.31 H new ATOM 0 HG13 ILE A 15 3.507 -3.451 2.977 1.00 14.31 H new ATOM 0 HG21 ILE A 15 5.287 -2.111 1.863 1.00 64.24 H new ATOM 0 HG22 ILE A 15 7.003 -2.463 2.175 1.00 64.24 H new ATOM 0 HG23 ILE A 15 6.039 -3.563 1.162 1.00 64.24 H new ATOM 0 HD11 ILE A 15 3.019 -5.615 1.950 1.00 62.13 H new ATOM 0 HD12 ILE A 15 4.297 -4.769 1.046 1.00 62.13 H new ATOM 0 HD13 ILE A 15 4.719 -6.106 2.143 1.00 62.13 H new ATOM 258 N PRO A 16 8.995 -4.631 2.762 1.00 12.44 N ATOM 259 CA PRO A 16 10.390 -4.144 2.782 1.00 44.23 C ATOM 260 C PRO A 16 10.505 -2.618 2.590 1.00 1.12 C ATOM 261 O PRO A 16 9.760 -2.019 1.806 1.00 41.42 O ATOM 262 CB PRO A 16 11.050 -4.894 1.607 1.00 50.01 C ATOM 263 CG PRO A 16 10.158 -6.059 1.343 1.00 62.44 C ATOM 264 CD PRO A 16 8.769 -5.587 1.664 1.00 41.33 C ATOM 0 HA PRO A 16 10.863 -4.330 3.746 1.00 44.23 H new ATOM 0 HB2 PRO A 16 11.135 -4.255 0.728 1.00 50.01 H new ATOM 0 HB3 PRO A 16 12.058 -5.219 1.863 1.00 50.01 H new ATOM 0 HG2 PRO A 16 10.232 -6.381 0.304 1.00 62.44 H new ATOM 0 HG3 PRO A 16 10.435 -6.912 1.962 1.00 62.44 H new ATOM 0 HD2 PRO A 16 8.295 -5.112 0.805 1.00 41.33 H new ATOM 0 HD3 PRO A 16 8.123 -6.410 1.970 1.00 41.33 H new ATOM 272 N LYS A 17 11.454 -1.997 3.301 1.00 11.11 N ATOM 273 CA LYS A 17 11.671 -0.546 3.223 1.00 11.23 C ATOM 274 C LYS A 17 12.117 -0.120 1.810 1.00 32.22 C ATOM 275 O LYS A 17 13.311 -0.022 1.519 1.00 15.34 O ATOM 276 CB LYS A 17 12.709 -0.114 4.275 1.00 4.24 C ATOM 277 CG LYS A 17 12.915 1.397 4.394 1.00 34.32 C ATOM 278 CD LYS A 17 11.634 2.127 4.806 1.00 25.14 C ATOM 279 CE LYS A 17 11.911 3.571 5.228 1.00 3.42 C ATOM 280 NZ LYS A 17 12.613 4.352 4.178 1.00 74.44 N ATOM 0 H LYS A 17 12.087 -2.479 3.940 1.00 11.11 H new ATOM 0 HA LYS A 17 10.725 -0.046 3.432 1.00 11.23 H new ATOM 0 HB2 LYS A 17 12.403 -0.502 5.247 1.00 4.24 H new ATOM 0 HB3 LYS A 17 13.665 -0.578 4.033 1.00 4.24 H new ATOM 0 HG2 LYS A 17 13.697 1.598 5.126 1.00 34.32 H new ATOM 0 HG3 LYS A 17 13.264 1.790 3.439 1.00 34.32 H new ATOM 0 HD2 LYS A 17 10.929 2.121 3.975 1.00 25.14 H new ATOM 0 HD3 LYS A 17 11.160 1.593 5.630 1.00 25.14 H new ATOM 0 HE2 LYS A 17 10.968 4.061 5.470 1.00 3.42 H new ATOM 0 HE3 LYS A 17 12.512 3.570 6.137 1.00 3.42 H new ATOM 0 HZ1 LYS A 17 13.168 5.111 4.623 1.00 74.44 H new ATOM 0 HZ2 LYS A 17 13.249 3.725 3.646 1.00 74.44 H new ATOM 0 HZ3 LYS A 17 11.914 4.768 3.529 1.00 74.44 H new ATOM 294 N GLY A 18 11.140 0.113 0.936 1.00 24.00 N ATOM 295 CA GLY A 18 11.426 0.480 -0.449 1.00 62.33 C ATOM 296 C GLY A 18 10.374 -0.038 -1.426 1.00 13.35 C ATOM 297 O GLY A 18 10.047 0.624 -2.411 1.00 13.21 O ATOM 0 H GLY A 18 10.147 0.054 1.161 1.00 24.00 H new ATOM 0 HA2 GLY A 18 11.486 1.566 -0.528 1.00 62.33 H new ATOM 0 HA3 GLY A 18 12.402 0.086 -0.731 1.00 62.33 H new ATOM 301 N LYS A 19 9.833 -1.223 -1.142 1.00 4.54 N ATOM 302 CA LYS A 19 8.826 -1.851 -2.011 1.00 43.13 C ATOM 303 C LYS A 19 7.396 -1.402 -1.666 1.00 65.43 C ATOM 304 O LYS A 19 7.157 -0.776 -0.626 1.00 51.12 O ATOM 305 CB LYS A 19 8.920 -3.382 -1.908 1.00 61.13 C ATOM 306 CG LYS A 19 10.215 -3.970 -2.464 1.00 21.33 C ATOM 307 CD LYS A 19 10.409 -3.621 -3.942 1.00 4.40 C ATOM 308 CE LYS A 19 11.585 -4.368 -4.561 1.00 52.11 C ATOM 309 NZ LYS A 19 11.339 -5.834 -4.626 1.00 10.22 N ATOM 0 H LYS A 19 10.073 -1.772 -0.316 1.00 4.54 H new ATOM 0 HA LYS A 19 9.039 -1.531 -3.031 1.00 43.13 H new ATOM 0 HB2 LYS A 19 8.823 -3.671 -0.861 1.00 61.13 H new ATOM 0 HB3 LYS A 19 8.077 -3.823 -2.440 1.00 61.13 H new ATOM 0 HG2 LYS A 19 11.061 -3.595 -1.888 1.00 21.33 H new ATOM 0 HG3 LYS A 19 10.203 -5.053 -2.345 1.00 21.33 H new ATOM 0 HD2 LYS A 19 9.499 -3.860 -4.492 1.00 4.40 H new ATOM 0 HD3 LYS A 19 10.570 -2.548 -4.042 1.00 4.40 H new ATOM 0 HE2 LYS A 19 11.770 -3.986 -5.565 1.00 52.11 H new ATOM 0 HE3 LYS A 19 12.485 -4.176 -3.977 1.00 52.11 H new ATOM 0 HZ1 LYS A 19 12.039 -6.276 -5.256 1.00 10.22 H new ATOM 0 HZ2 LYS A 19 11.423 -6.243 -3.673 1.00 10.22 H new ATOM 0 HZ3 LYS A 19 10.382 -6.009 -4.994 1.00 10.22 H new ATOM 323 N VAL A 20 6.455 -1.731 -2.553 1.00 13.12 N ATOM 324 CA VAL A 20 5.027 -1.458 -2.335 1.00 32.13 C ATOM 325 C VAL A 20 4.178 -2.700 -2.665 1.00 43.00 C ATOM 326 O VAL A 20 4.609 -3.578 -3.417 1.00 41.03 O ATOM 327 CB VAL A 20 4.529 -0.257 -3.191 1.00 64.42 C ATOM 328 CG1 VAL A 20 5.279 1.026 -2.822 1.00 1.41 C ATOM 329 CG2 VAL A 20 4.660 -0.559 -4.686 1.00 55.35 C ATOM 0 H VAL A 20 6.657 -2.192 -3.440 1.00 13.12 H new ATOM 0 HA VAL A 20 4.911 -1.203 -1.281 1.00 32.13 H new ATOM 0 HB VAL A 20 3.473 -0.102 -2.972 1.00 64.42 H new ATOM 0 HG11 VAL A 20 4.913 1.850 -3.434 1.00 1.41 H new ATOM 0 HG12 VAL A 20 5.113 1.254 -1.769 1.00 1.41 H new ATOM 0 HG13 VAL A 20 6.345 0.888 -3.000 1.00 1.41 H new ATOM 0 HG21 VAL A 20 4.305 0.296 -5.262 1.00 55.35 H new ATOM 0 HG22 VAL A 20 5.705 -0.752 -4.928 1.00 55.35 H new ATOM 0 HG23 VAL A 20 4.063 -1.436 -4.934 1.00 55.35 H new ATOM 339 N SER A 21 2.975 -2.772 -2.101 1.00 11.22 N ATOM 340 CA SER A 21 2.064 -3.907 -2.340 1.00 34.25 C ATOM 341 C SER A 21 0.670 -3.422 -2.763 1.00 73.04 C ATOM 342 O SER A 21 0.426 -2.220 -2.869 1.00 62.11 O ATOM 343 CB SER A 21 1.950 -4.776 -1.079 1.00 0.11 C ATOM 344 OG SER A 21 1.414 -4.040 0.010 1.00 0.43 O ATOM 0 H SER A 21 2.601 -2.061 -1.473 1.00 11.22 H new ATOM 0 HA SER A 21 2.482 -4.503 -3.151 1.00 34.25 H new ATOM 0 HB2 SER A 21 1.315 -5.638 -1.285 1.00 0.11 H new ATOM 0 HB3 SER A 21 2.934 -5.161 -0.811 1.00 0.11 H new ATOM 0 HG SER A 21 2.113 -3.892 0.681 1.00 0.43 H new ATOM 350 N THR A 22 -0.243 -4.361 -3.016 1.00 23.24 N ATOM 351 CA THR A 22 -1.609 -4.016 -3.453 1.00 4.44 C ATOM 352 C THR A 22 -2.683 -4.699 -2.586 1.00 0.34 C ATOM 353 O THR A 22 -2.455 -5.773 -2.032 1.00 0.15 O ATOM 354 CB THR A 22 -1.838 -4.387 -4.937 1.00 13.24 C ATOM 355 OG1 THR A 22 -1.642 -5.793 -5.137 1.00 71.14 O ATOM 356 CG2 THR A 22 -0.893 -3.608 -5.851 1.00 5.15 C ATOM 0 H THR A 22 -0.069 -5.362 -2.928 1.00 23.24 H new ATOM 0 HA THR A 22 -1.704 -2.937 -3.335 1.00 4.44 H new ATOM 0 HB THR A 22 -2.865 -4.124 -5.189 1.00 13.24 H new ATOM 0 HG1 THR A 22 -1.792 -6.013 -6.080 1.00 71.14 H new ATOM 0 HG21 THR A 22 -1.076 -3.889 -6.888 1.00 5.15 H new ATOM 0 HG22 THR A 22 -1.067 -2.539 -5.728 1.00 5.15 H new ATOM 0 HG23 THR A 22 0.139 -3.840 -5.589 1.00 5.15 H new ATOM 364 N TYR A 23 -3.861 -4.072 -2.488 1.00 75.31 N ATOM 365 CA TYR A 23 -4.934 -4.541 -1.587 1.00 2.35 C ATOM 366 C TYR A 23 -5.383 -5.988 -1.866 1.00 35.22 C ATOM 367 O TYR A 23 -5.312 -6.842 -0.978 1.00 1.11 O ATOM 368 CB TYR A 23 -6.135 -3.589 -1.657 1.00 61.42 C ATOM 369 CG TYR A 23 -5.802 -2.194 -1.177 1.00 44.54 C ATOM 370 CD1 TYR A 23 -5.434 -1.974 0.143 1.00 32.11 C ATOM 371 CD2 TYR A 23 -5.827 -1.107 -2.041 1.00 71.11 C ATOM 372 CE1 TYR A 23 -5.107 -0.714 0.591 1.00 64.45 C ATOM 373 CE2 TYR A 23 -5.495 0.159 -1.600 1.00 52.31 C ATOM 374 CZ TYR A 23 -5.136 0.349 -0.282 1.00 3.25 C ATOM 375 OH TYR A 23 -4.795 1.603 0.164 1.00 43.33 O ATOM 0 H TYR A 23 -4.101 -3.236 -3.021 1.00 75.31 H new ATOM 0 HA TYR A 23 -4.515 -4.539 -0.581 1.00 2.35 H new ATOM 0 HB2 TYR A 23 -6.495 -3.539 -2.685 1.00 61.42 H new ATOM 0 HB3 TYR A 23 -6.949 -3.992 -1.054 1.00 61.42 H new ATOM 0 HD1 TYR A 23 -5.404 -2.806 0.831 1.00 32.11 H new ATOM 0 HD2 TYR A 23 -6.110 -1.254 -3.073 1.00 71.11 H new ATOM 0 HE1 TYR A 23 -4.829 -0.561 1.623 1.00 64.45 H new ATOM 0 HE2 TYR A 23 -5.516 0.995 -2.283 1.00 52.31 H new ATOM 0 HH TYR A 23 -3.825 1.724 0.090 1.00 43.33 H new ATOM 385 N GLY A 24 -5.857 -6.262 -3.085 1.00 41.42 N ATOM 386 CA GLY A 24 -6.285 -7.621 -3.437 1.00 22.24 C ATOM 387 C GLY A 24 -5.200 -8.664 -3.185 1.00 33.05 C ATOM 388 O GLY A 24 -5.487 -9.819 -2.855 1.00 41.31 O ATOM 0 H GLY A 24 -5.954 -5.576 -3.833 1.00 41.42 H new ATOM 0 HA2 GLY A 24 -7.173 -7.879 -2.859 1.00 22.24 H new ATOM 0 HA3 GLY A 24 -6.571 -7.647 -4.489 1.00 22.24 H new ATOM 392 N GLU A 25 -3.955 -8.239 -3.338 1.00 74.45 N ATOM 393 CA GLU A 25 -2.783 -9.077 -3.079 1.00 44.31 C ATOM 394 C GLU A 25 -2.616 -9.362 -1.574 1.00 35.14 C ATOM 395 O GLU A 25 -2.450 -10.514 -1.165 1.00 43.21 O ATOM 396 CB GLU A 25 -1.554 -8.358 -3.641 1.00 33.35 C ATOM 397 CG GLU A 25 -0.215 -9.012 -3.349 1.00 24.01 C ATOM 398 CD GLU A 25 0.924 -8.210 -3.955 1.00 11.42 C ATOM 399 OE1 GLU A 25 1.137 -7.058 -3.520 1.00 32.23 O ATOM 400 OE2 GLU A 25 1.572 -8.706 -4.903 1.00 15.21 O ATOM 0 H GLU A 25 -3.723 -7.295 -3.648 1.00 74.45 H new ATOM 0 HA GLU A 25 -2.908 -10.044 -3.567 1.00 44.31 H new ATOM 0 HB2 GLU A 25 -1.668 -8.274 -4.722 1.00 33.35 H new ATOM 0 HB3 GLU A 25 -1.536 -7.344 -3.243 1.00 33.35 H new ATOM 0 HG2 GLU A 25 -0.074 -9.095 -2.271 1.00 24.01 H new ATOM 0 HG3 GLU A 25 -0.205 -10.025 -3.751 1.00 24.01 H new ATOM 407 N ILE A 26 -2.670 -8.307 -0.756 1.00 51.11 N ATOM 408 CA ILE A 26 -2.586 -8.445 0.705 1.00 2.03 C ATOM 409 C ILE A 26 -3.695 -9.368 1.233 1.00 51.02 C ATOM 410 O ILE A 26 -3.431 -10.299 1.995 1.00 33.33 O ATOM 411 CB ILE A 26 -2.689 -7.064 1.415 1.00 60.51 C ATOM 412 CG1 ILE A 26 -1.511 -6.157 1.015 1.00 45.21 C ATOM 413 CG2 ILE A 26 -2.750 -7.231 2.936 1.00 22.41 C ATOM 414 CD1 ILE A 26 -0.154 -6.672 1.461 1.00 34.21 C ATOM 0 H ILE A 26 -2.772 -7.345 -1.079 1.00 51.11 H new ATOM 0 HA ILE A 26 -1.613 -8.883 0.928 1.00 2.03 H new ATOM 0 HB ILE A 26 -3.614 -6.588 1.091 1.00 60.51 H new ATOM 0 HG12 ILE A 26 -1.506 -6.043 -0.069 1.00 45.21 H new ATOM 0 HG13 ILE A 26 -1.669 -5.166 1.439 1.00 45.21 H new ATOM 0 HG21 ILE A 26 -2.822 -6.251 3.407 1.00 22.41 H new ATOM 0 HG22 ILE A 26 -3.624 -7.826 3.202 1.00 22.41 H new ATOM 0 HG23 ILE A 26 -1.848 -7.735 3.283 1.00 22.41 H new ATOM 0 HD11 ILE A 26 0.622 -5.977 1.141 1.00 34.21 H new ATOM 0 HD12 ILE A 26 -0.137 -6.759 2.547 1.00 34.21 H new ATOM 0 HD13 ILE A 26 0.028 -7.650 1.015 1.00 34.21 H new ATOM 426 N ALA A 27 -4.930 -9.111 0.806 1.00 33.11 N ATOM 427 CA ALA A 27 -6.078 -9.937 1.195 1.00 71.10 C ATOM 428 C ALA A 27 -5.867 -11.414 0.809 1.00 73.31 C ATOM 429 O ALA A 27 -6.100 -12.319 1.613 1.00 42.13 O ATOM 430 CB ALA A 27 -7.351 -9.389 0.558 1.00 4.23 C ATOM 0 H ALA A 27 -5.165 -8.334 0.188 1.00 33.11 H new ATOM 0 HA ALA A 27 -6.177 -9.895 2.280 1.00 71.10 H new ATOM 0 HB1 ALA A 27 -8.200 -10.007 0.851 1.00 4.23 H new ATOM 0 HB2 ALA A 27 -7.515 -8.365 0.894 1.00 4.23 H new ATOM 0 HB3 ALA A 27 -7.250 -9.403 -0.527 1.00 4.23 H new ATOM 436 N LYS A 28 -5.408 -11.645 -0.422 1.00 73.35 N ATOM 437 CA LYS A 28 -5.123 -13.003 -0.905 1.00 54.11 C ATOM 438 C LYS A 28 -4.079 -13.710 -0.019 1.00 23.31 C ATOM 439 O LYS A 28 -4.265 -14.861 0.379 1.00 25.01 O ATOM 440 CB LYS A 28 -4.659 -12.944 -2.378 1.00 51.31 C ATOM 441 CG LYS A 28 -4.114 -14.262 -2.947 1.00 64.32 C ATOM 442 CD LYS A 28 -2.592 -14.361 -2.811 1.00 53.03 C ATOM 443 CE LYS A 28 -2.041 -15.648 -3.416 1.00 33.45 C ATOM 444 NZ LYS A 28 -2.486 -16.855 -2.670 1.00 24.01 N ATOM 0 H LYS A 28 -5.225 -10.910 -1.106 1.00 73.35 H new ATOM 0 HA LYS A 28 -6.039 -13.591 -0.847 1.00 54.11 H new ATOM 0 HB2 LYS A 28 -5.499 -12.621 -2.994 1.00 51.31 H new ATOM 0 HB3 LYS A 28 -3.886 -12.181 -2.468 1.00 51.31 H new ATOM 0 HG2 LYS A 28 -4.579 -15.100 -2.429 1.00 64.32 H new ATOM 0 HG3 LYS A 28 -4.390 -14.344 -3.998 1.00 64.32 H new ATOM 0 HD2 LYS A 28 -2.129 -13.504 -3.301 1.00 53.03 H new ATOM 0 HD3 LYS A 28 -2.319 -14.312 -1.757 1.00 53.03 H new ATOM 0 HE2 LYS A 28 -2.362 -15.726 -4.455 1.00 33.45 H new ATOM 0 HE3 LYS A 28 -0.952 -15.608 -3.422 1.00 33.45 H new ATOM 0 HZ1 LYS A 28 -2.021 -17.698 -3.064 1.00 24.01 H new ATOM 0 HZ2 LYS A 28 -2.232 -16.756 -1.666 1.00 24.01 H new ATOM 0 HZ3 LYS A 28 -3.517 -16.956 -2.757 1.00 24.01 H new ATOM 458 N MET A 29 -2.986 -13.014 0.295 1.00 3.21 N ATOM 459 CA MET A 29 -1.918 -13.585 1.129 1.00 72.13 C ATOM 460 C MET A 29 -2.370 -13.784 2.585 1.00 50.43 C ATOM 461 O MET A 29 -1.975 -14.747 3.243 1.00 55.50 O ATOM 462 CB MET A 29 -0.674 -12.692 1.084 1.00 74.24 C ATOM 463 CG MET A 29 -0.044 -12.600 -0.296 1.00 21.11 C ATOM 464 SD MET A 29 1.443 -11.583 -0.311 1.00 10.14 S ATOM 465 CE MET A 29 0.779 -9.985 0.151 1.00 43.13 C ATOM 0 H MET A 29 -2.813 -12.057 -0.012 1.00 3.21 H new ATOM 0 HA MET A 29 -1.675 -14.566 0.721 1.00 72.13 H new ATOM 0 HB2 MET A 29 -0.943 -11.690 1.419 1.00 74.24 H new ATOM 0 HB3 MET A 29 0.065 -13.076 1.787 1.00 74.24 H new ATOM 0 HG2 MET A 29 0.202 -13.602 -0.647 1.00 21.11 H new ATOM 0 HG3 MET A 29 -0.770 -12.186 -0.996 1.00 21.11 H new ATOM 0 HE1 MET A 29 1.196 -9.216 -0.499 1.00 43.13 H new ATOM 0 HE2 MET A 29 -0.306 -9.998 0.048 1.00 43.13 H new ATOM 0 HE3 MET A 29 1.043 -9.767 1.186 1.00 43.13 H new ATOM 475 N ALA A 30 -3.198 -12.871 3.079 1.00 11.55 N ATOM 476 CA ALA A 30 -3.732 -12.959 4.441 1.00 63.32 C ATOM 477 C ALA A 30 -4.699 -14.145 4.603 1.00 61.54 C ATOM 478 O ALA A 30 -4.931 -14.627 5.715 1.00 53.42 O ATOM 479 CB ALA A 30 -4.423 -11.653 4.809 1.00 1.44 C ATOM 0 H ALA A 30 -3.518 -12.055 2.557 1.00 11.55 H new ATOM 0 HA ALA A 30 -2.896 -13.130 5.119 1.00 63.32 H new ATOM 0 HB1 ALA A 30 -4.818 -11.723 5.822 1.00 1.44 H new ATOM 0 HB2 ALA A 30 -3.706 -10.834 4.755 1.00 1.44 H new ATOM 0 HB3 ALA A 30 -5.241 -11.465 4.113 1.00 1.44 H new ATOM 485 N GLY A 31 -5.255 -14.611 3.487 1.00 71.22 N ATOM 486 CA GLY A 31 -6.188 -15.734 3.515 1.00 14.31 C ATOM 487 C GLY A 31 -7.636 -15.319 3.269 1.00 73.43 C ATOM 488 O GLY A 31 -8.557 -16.115 3.457 1.00 71.11 O ATOM 0 H GLY A 31 -5.077 -14.231 2.557 1.00 71.22 H new ATOM 0 HA2 GLY A 31 -5.892 -16.462 2.760 1.00 14.31 H new ATOM 0 HA3 GLY A 31 -6.119 -16.231 4.482 1.00 14.31 H new ATOM 492 N TYR A 32 -7.841 -14.074 2.837 1.00 13.34 N ATOM 493 CA TYR A 32 -9.189 -13.548 2.575 1.00 11.43 C ATOM 494 C TYR A 32 -9.295 -12.993 1.141 1.00 32.14 C ATOM 495 O TYR A 32 -9.342 -11.778 0.935 1.00 32.23 O ATOM 496 CB TYR A 32 -9.534 -12.450 3.597 1.00 34.42 C ATOM 497 CG TYR A 32 -9.289 -12.859 5.036 1.00 30.40 C ATOM 498 CD1 TYR A 32 -10.262 -13.529 5.768 1.00 2.21 C ATOM 499 CD2 TYR A 32 -8.076 -12.576 5.659 1.00 31.44 C ATOM 500 CE1 TYR A 32 -10.034 -13.905 7.079 1.00 0.42 C ATOM 501 CE2 TYR A 32 -7.842 -12.950 6.967 1.00 2.03 C ATOM 502 CZ TYR A 32 -8.822 -13.613 7.673 1.00 74.11 C ATOM 503 OH TYR A 32 -8.588 -13.987 8.979 1.00 30.12 O ATOM 0 H TYR A 32 -7.091 -13.406 2.660 1.00 13.34 H new ATOM 0 HA TYR A 32 -9.902 -14.366 2.676 1.00 11.43 H new ATOM 0 HB2 TYR A 32 -8.943 -11.561 3.375 1.00 34.42 H new ATOM 0 HB3 TYR A 32 -10.582 -12.174 3.480 1.00 34.42 H new ATOM 0 HD1 TYR A 32 -11.211 -13.759 5.306 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -7.306 -12.055 5.110 1.00 31.44 H new ATOM 0 HE1 TYR A 32 -10.800 -14.424 7.636 1.00 0.42 H new ATOM 0 HE2 TYR A 32 -6.895 -12.724 7.435 1.00 2.03 H new ATOM 0 HH TYR A 32 -7.818 -14.592 9.013 1.00 30.12 H new ATOM 513 N PRO A 33 -9.335 -13.880 0.126 1.00 51.11 N ATOM 514 CA PRO A 33 -9.331 -13.463 -1.290 1.00 71.14 C ATOM 515 C PRO A 33 -10.610 -12.712 -1.704 1.00 71.53 C ATOM 516 O PRO A 33 -11.715 -13.259 -1.645 1.00 35.13 O ATOM 517 CB PRO A 33 -9.206 -14.793 -2.051 1.00 73.12 C ATOM 518 CG PRO A 33 -9.757 -15.819 -1.117 1.00 10.01 C ATOM 519 CD PRO A 33 -9.404 -15.348 0.269 1.00 74.01 C ATOM 0 HA PRO A 33 -8.527 -12.757 -1.499 1.00 71.14 H new ATOM 0 HB2 PRO A 33 -9.766 -14.768 -2.986 1.00 73.12 H new ATOM 0 HB3 PRO A 33 -8.168 -15.007 -2.306 1.00 73.12 H new ATOM 0 HG2 PRO A 33 -10.837 -15.914 -1.234 1.00 10.01 H new ATOM 0 HG3 PRO A 33 -9.327 -16.800 -1.317 1.00 10.01 H new ATOM 0 HD2 PRO A 33 -10.158 -15.645 0.998 1.00 74.01 H new ATOM 0 HD3 PRO A 33 -8.454 -15.764 0.605 1.00 74.01 H new ATOM 527 N GLY A 34 -10.451 -11.459 -2.134 1.00 41.35 N ATOM 528 CA GLY A 34 -11.593 -10.651 -2.557 1.00 11.43 C ATOM 529 C GLY A 34 -11.850 -9.439 -1.663 1.00 31.33 C ATOM 530 O GLY A 34 -12.457 -8.459 -2.096 1.00 63.30 O ATOM 0 H GLY A 34 -9.550 -10.986 -2.198 1.00 41.35 H new ATOM 0 HA2 GLY A 34 -11.427 -10.310 -3.579 1.00 11.43 H new ATOM 0 HA3 GLY A 34 -12.485 -11.277 -2.571 1.00 11.43 H new ATOM 534 N TYR A 35 -11.371 -9.488 -0.420 1.00 65.40 N ATOM 535 CA TYR A 35 -11.599 -8.402 0.553 1.00 55.23 C ATOM 536 C TYR A 35 -10.659 -7.198 0.331 1.00 24.25 C ATOM 537 O TYR A 35 -10.257 -6.530 1.287 1.00 75.00 O ATOM 538 CB TYR A 35 -11.430 -8.945 1.980 1.00 2.32 C ATOM 539 CG TYR A 35 -12.519 -9.916 2.399 1.00 13.30 C ATOM 540 CD1 TYR A 35 -12.487 -11.250 2.004 1.00 1.11 C ATOM 541 CD2 TYR A 35 -13.583 -9.495 3.192 1.00 32.33 C ATOM 542 CE1 TYR A 35 -13.479 -12.132 2.387 1.00 3.33 C ATOM 543 CE2 TYR A 35 -14.576 -10.372 3.580 1.00 24.21 C ATOM 544 CZ TYR A 35 -14.521 -11.687 3.176 1.00 2.41 C ATOM 545 OH TYR A 35 -15.514 -12.562 3.561 1.00 52.05 O ATOM 0 H TYR A 35 -10.821 -10.266 -0.056 1.00 65.40 H new ATOM 0 HA TYR A 35 -12.617 -8.041 0.406 1.00 55.23 H new ATOM 0 HB2 TYR A 35 -10.463 -9.442 2.057 1.00 2.32 H new ATOM 0 HB3 TYR A 35 -11.414 -8.108 2.678 1.00 2.32 H new ATOM 0 HD1 TYR A 35 -11.673 -11.602 1.388 1.00 1.11 H new ATOM 0 HD2 TYR A 35 -13.632 -8.464 3.509 1.00 32.33 H new ATOM 0 HE1 TYR A 35 -13.440 -13.164 2.071 1.00 3.33 H new ATOM 0 HE2 TYR A 35 -15.392 -10.028 4.198 1.00 24.21 H new ATOM 0 HH TYR A 35 -16.171 -12.089 4.114 1.00 52.05 H new ATOM 555 N ALA A 36 -10.356 -6.894 -0.932 1.00 34.13 N ATOM 556 CA ALA A 36 -9.441 -5.798 -1.274 1.00 61.23 C ATOM 557 C ALA A 36 -9.904 -4.456 -0.681 1.00 0.11 C ATOM 558 O ALA A 36 -9.132 -3.756 -0.020 1.00 70.24 O ATOM 559 CB ALA A 36 -9.308 -5.688 -2.788 1.00 22.20 C ATOM 0 H ALA A 36 -10.731 -7.392 -1.739 1.00 34.13 H new ATOM 0 HA ALA A 36 -8.469 -6.028 -0.838 1.00 61.23 H new ATOM 0 HB1 ALA A 36 -8.628 -4.873 -3.035 1.00 22.20 H new ATOM 0 HB2 ALA A 36 -8.915 -6.623 -3.188 1.00 22.20 H new ATOM 0 HB3 ALA A 36 -10.286 -5.489 -3.226 1.00 22.20 H new ATOM 565 N ARG A 37 -11.167 -4.104 -0.929 1.00 23.04 N ATOM 566 CA ARG A 37 -11.748 -2.862 -0.404 1.00 52.25 C ATOM 567 C ARG A 37 -11.628 -2.772 1.127 1.00 1.15 C ATOM 568 O ARG A 37 -11.205 -1.748 1.662 1.00 50.21 O ATOM 569 CB ARG A 37 -13.225 -2.757 -0.806 1.00 65.23 C ATOM 570 CG ARG A 37 -13.918 -1.500 -0.282 1.00 32.12 C ATOM 571 CD ARG A 37 -15.402 -1.489 -0.621 1.00 32.42 C ATOM 572 NE ARG A 37 -15.643 -1.536 -2.062 1.00 53.23 N ATOM 573 CZ ARG A 37 -16.744 -1.980 -2.607 1.00 41.53 C ATOM 574 NH1 ARG A 37 -17.703 -2.447 -1.868 1.00 73.30 N ATOM 575 NH2 ARG A 37 -16.877 -1.970 -3.893 1.00 1.01 N ATOM 0 H ARG A 37 -11.810 -4.661 -1.491 1.00 23.04 H new ATOM 0 HA ARG A 37 -11.185 -2.035 -0.836 1.00 52.25 H new ATOM 0 HB2 ARG A 37 -13.298 -2.775 -1.893 1.00 65.23 H new ATOM 0 HB3 ARG A 37 -13.756 -3.634 -0.436 1.00 65.23 H new ATOM 0 HG2 ARG A 37 -13.792 -1.439 0.799 1.00 32.12 H new ATOM 0 HG3 ARG A 37 -13.441 -0.618 -0.709 1.00 32.12 H new ATOM 0 HD2 ARG A 37 -15.887 -2.342 -0.146 1.00 32.42 H new ATOM 0 HD3 ARG A 37 -15.860 -0.591 -0.208 1.00 32.42 H new ATOM 0 HE ARG A 37 -14.905 -1.201 -2.681 1.00 53.23 H new ATOM 0 HH11 ARG A 37 -17.600 -2.469 -0.853 1.00 73.30 H new ATOM 0 HH12 ARG A 37 -18.559 -2.792 -2.302 1.00 73.30 H new ATOM 0 HH21 ARG A 37 -16.123 -1.616 -4.481 1.00 1.01 H new ATOM 0 HH22 ARG A 37 -17.736 -2.316 -4.320 1.00 1.01 H new ATOM 589 N HIS A 38 -11.995 -3.853 1.818 1.00 11.22 N ATOM 590 CA HIS A 38 -11.985 -3.884 3.289 1.00 51.32 C ATOM 591 C HIS A 38 -10.597 -3.550 3.859 1.00 41.23 C ATOM 592 O HIS A 38 -10.486 -2.850 4.871 1.00 22.10 O ATOM 593 CB HIS A 38 -12.442 -5.256 3.799 1.00 74.12 C ATOM 594 CG HIS A 38 -13.857 -5.592 3.439 1.00 64.11 C ATOM 595 ND1 HIS A 38 -14.891 -5.372 4.316 1.00 5.32 N ATOM 596 CD2 HIS A 38 -14.353 -6.139 2.302 1.00 73.32 C ATOM 597 CE1 HIS A 38 -15.984 -5.784 3.699 1.00 1.03 C ATOM 598 NE2 HIS A 38 -15.706 -6.257 2.479 1.00 54.40 N ATOM 0 H HIS A 38 -12.304 -4.723 1.384 1.00 11.22 H new ATOM 0 HA HIS A 38 -12.681 -3.120 3.634 1.00 51.32 H new ATOM 0 HB2 HIS A 38 -11.782 -6.023 3.394 1.00 74.12 H new ATOM 0 HB3 HIS A 38 -12.336 -5.284 4.883 1.00 74.12 H new ATOM 0 HD2 HIS A 38 -13.790 -6.426 1.426 1.00 73.32 H new ATOM 0 HE1 HIS A 38 -16.976 -5.744 4.125 1.00 1.03 H new ATOM 0 HE2 HIS A 38 -16.375 -6.634 1.808 1.00 54.40 H new ATOM 606 N VAL A 39 -9.546 -4.049 3.209 1.00 61.35 N ATOM 607 CA VAL A 39 -8.168 -3.753 3.624 1.00 3.43 C ATOM 608 C VAL A 39 -7.889 -2.240 3.565 1.00 11.44 C ATOM 609 O VAL A 39 -7.410 -1.646 4.534 1.00 34.30 O ATOM 610 CB VAL A 39 -7.131 -4.501 2.745 1.00 54.14 C ATOM 611 CG1 VAL A 39 -5.702 -4.185 3.195 1.00 73.33 C ATOM 612 CG2 VAL A 39 -7.384 -6.008 2.770 1.00 33.35 C ATOM 0 H VAL A 39 -9.618 -4.659 2.395 1.00 61.35 H new ATOM 0 HA VAL A 39 -8.066 -4.100 4.652 1.00 3.43 H new ATOM 0 HB VAL A 39 -7.247 -4.153 1.719 1.00 54.14 H new ATOM 0 HG11 VAL A 39 -4.994 -4.722 2.563 1.00 73.33 H new ATOM 0 HG12 VAL A 39 -5.523 -3.113 3.111 1.00 73.33 H new ATOM 0 HG13 VAL A 39 -5.570 -4.495 4.232 1.00 73.33 H new ATOM 0 HG21 VAL A 39 -6.645 -6.511 2.147 1.00 33.35 H new ATOM 0 HG22 VAL A 39 -7.305 -6.373 3.794 1.00 33.35 H new ATOM 0 HG23 VAL A 39 -8.383 -6.216 2.387 1.00 33.35 H new ATOM 622 N GLY A 40 -8.209 -1.620 2.427 1.00 41.30 N ATOM 623 CA GLY A 40 -8.027 -0.176 2.274 1.00 70.32 C ATOM 624 C GLY A 40 -8.934 0.637 3.192 1.00 33.15 C ATOM 625 O GLY A 40 -8.552 1.704 3.676 1.00 73.41 O ATOM 0 H GLY A 40 -8.591 -2.090 1.606 1.00 41.30 H new ATOM 0 HA2 GLY A 40 -6.987 0.078 2.481 1.00 70.32 H new ATOM 0 HA3 GLY A 40 -8.223 0.102 1.239 1.00 70.32 H new ATOM 629 N LYS A 41 -10.137 0.124 3.431 1.00 23.51 N ATOM 630 CA LYS A 41 -11.097 0.766 4.334 1.00 63.00 C ATOM 631 C LYS A 41 -10.537 0.839 5.768 1.00 13.20 C ATOM 632 O LYS A 41 -10.737 1.827 6.478 1.00 34.42 O ATOM 633 CB LYS A 41 -12.422 -0.012 4.318 1.00 52.12 C ATOM 634 CG LYS A 41 -13.534 0.624 5.147 1.00 50.12 C ATOM 635 CD LYS A 41 -13.941 1.994 4.603 1.00 34.24 C ATOM 636 CE LYS A 41 -15.077 2.609 5.412 1.00 40.25 C ATOM 637 NZ LYS A 41 -14.689 2.861 6.824 1.00 42.42 N ATOM 0 H LYS A 41 -10.476 -0.741 3.010 1.00 23.51 H new ATOM 0 HA LYS A 41 -11.274 1.785 3.989 1.00 63.00 H new ATOM 0 HB2 LYS A 41 -12.762 -0.106 3.287 1.00 52.12 H new ATOM 0 HB3 LYS A 41 -12.242 -1.021 4.687 1.00 52.12 H new ATOM 0 HG2 LYS A 41 -14.402 -0.035 5.156 1.00 50.12 H new ATOM 0 HG3 LYS A 41 -13.202 0.728 6.180 1.00 50.12 H new ATOM 0 HD2 LYS A 41 -13.080 2.662 4.619 1.00 34.24 H new ATOM 0 HD3 LYS A 41 -14.248 1.895 3.562 1.00 34.24 H new ATOM 0 HE2 LYS A 41 -15.384 3.547 4.949 1.00 40.25 H new ATOM 0 HE3 LYS A 41 -15.940 1.943 5.387 1.00 40.25 H new ATOM 0 HZ1 LYS A 41 -15.433 3.415 7.295 1.00 42.42 H new ATOM 0 HZ2 LYS A 41 -14.568 1.954 7.318 1.00 42.42 H new ATOM 0 HZ3 LYS A 41 -13.794 3.391 6.849 1.00 42.42 H new ATOM 651 N ALA A 42 -9.831 -0.214 6.179 1.00 11.54 N ATOM 652 CA ALA A 42 -9.190 -0.258 7.499 1.00 73.24 C ATOM 653 C ALA A 42 -7.966 0.667 7.563 1.00 72.22 C ATOM 654 O ALA A 42 -7.825 1.465 8.491 1.00 52.24 O ATOM 655 CB ALA A 42 -8.792 -1.689 7.842 1.00 23.03 C ATOM 0 H ALA A 42 -9.686 -1.053 5.617 1.00 11.54 H new ATOM 0 HA ALA A 42 -9.912 0.098 8.234 1.00 73.24 H new ATOM 0 HB1 ALA A 42 -8.318 -1.709 8.823 1.00 23.03 H new ATOM 0 HB2 ALA A 42 -9.680 -2.320 7.855 1.00 23.03 H new ATOM 0 HB3 ALA A 42 -8.093 -2.062 7.093 1.00 23.03 H new ATOM 661 N LEU A 43 -7.088 0.562 6.566 1.00 43.12 N ATOM 662 CA LEU A 43 -5.879 1.392 6.503 1.00 22.42 C ATOM 663 C LEU A 43 -6.217 2.891 6.398 1.00 62.43 C ATOM 664 O LEU A 43 -5.503 3.735 6.940 1.00 23.51 O ATOM 665 CB LEU A 43 -5.003 0.964 5.317 1.00 33.41 C ATOM 666 CG LEU A 43 -4.465 -0.476 5.386 1.00 33.02 C ATOM 667 CD1 LEU A 43 -3.579 -0.780 4.181 1.00 60.50 C ATOM 668 CD2 LEU A 43 -3.702 -0.706 6.690 1.00 1.44 C ATOM 0 H LEU A 43 -7.189 -0.090 5.788 1.00 43.12 H new ATOM 0 HA LEU A 43 -5.329 1.242 7.432 1.00 22.42 H new ATOM 0 HB2 LEU A 43 -5.582 1.075 4.400 1.00 33.41 H new ATOM 0 HB3 LEU A 43 -4.157 1.648 5.245 1.00 33.41 H new ATOM 0 HG LEU A 43 -5.315 -1.158 5.364 1.00 33.02 H new ATOM 0 HD11 LEU A 43 -3.209 -1.803 4.250 1.00 60.50 H new ATOM 0 HD12 LEU A 43 -4.158 -0.665 3.265 1.00 60.50 H new ATOM 0 HD13 LEU A 43 -2.736 -0.090 4.166 1.00 60.50 H new ATOM 0 HD21 LEU A 43 -3.330 -1.730 6.718 1.00 1.44 H new ATOM 0 HD22 LEU A 43 -2.862 -0.013 6.747 1.00 1.44 H new ATOM 0 HD23 LEU A 43 -4.369 -0.539 7.536 1.00 1.44 H new ATOM 680 N GLY A 44 -7.321 3.211 5.723 1.00 41.41 N ATOM 681 CA GLY A 44 -7.744 4.604 5.579 1.00 21.31 C ATOM 682 C GLY A 44 -8.182 5.252 6.897 1.00 70.13 C ATOM 683 O GLY A 44 -8.487 6.446 6.938 1.00 15.10 O ATOM 0 H GLY A 44 -7.934 2.532 5.271 1.00 41.41 H new ATOM 0 HA2 GLY A 44 -6.923 5.182 5.155 1.00 21.31 H new ATOM 0 HA3 GLY A 44 -8.569 4.653 4.868 1.00 21.31 H new ATOM 687 N ASN A 45 -8.232 4.463 7.971 1.00 21.11 N ATOM 688 CA ASN A 45 -8.576 4.972 9.306 1.00 50.33 C ATOM 689 C ASN A 45 -7.309 5.356 10.100 1.00 30.33 C ATOM 690 O ASN A 45 -7.386 5.991 11.155 1.00 30.23 O ATOM 691 CB ASN A 45 -9.379 3.903 10.065 1.00 71.12 C ATOM 692 CG ASN A 45 -9.839 4.357 11.441 1.00 62.22 C ATOM 693 OD1 ASN A 45 -10.918 4.923 11.595 1.00 63.21 O ATOM 694 ND2 ASN A 45 -9.032 4.108 12.453 1.00 61.24 N ATOM 0 H ASN A 45 -8.038 3.462 7.945 1.00 21.11 H new ATOM 0 HA ASN A 45 -9.180 5.872 9.193 1.00 50.33 H new ATOM 0 HB2 ASN A 45 -10.250 3.625 9.472 1.00 71.12 H new ATOM 0 HB3 ASN A 45 -8.767 3.007 10.172 1.00 71.12 H new ATOM 0 HD21 ASN A 45 -9.297 4.387 13.397 1.00 61.24 H new ATOM 0 HD22 ASN A 45 -8.142 3.636 12.292 1.00 61.24 H new ATOM 701 N LEU A 46 -6.149 4.980 9.575 1.00 54.04 N ATOM 702 CA LEU A 46 -4.871 5.180 10.272 1.00 61.12 C ATOM 703 C LEU A 46 -4.233 6.542 9.940 1.00 51.53 C ATOM 704 O LEU A 46 -4.369 7.047 8.824 1.00 31.01 O ATOM 705 CB LEU A 46 -3.895 4.057 9.893 1.00 25.50 C ATOM 706 CG LEU A 46 -4.362 2.633 10.238 1.00 10.45 C ATOM 707 CD1 LEU A 46 -3.408 1.603 9.645 1.00 22.20 C ATOM 708 CD2 LEU A 46 -4.477 2.445 11.751 1.00 73.43 C ATOM 0 H LEU A 46 -6.061 4.531 8.663 1.00 54.04 H new ATOM 0 HA LEU A 46 -5.077 5.161 11.342 1.00 61.12 H new ATOM 0 HB2 LEU A 46 -3.706 4.109 8.821 1.00 25.50 H new ATOM 0 HB3 LEU A 46 -2.944 4.241 10.394 1.00 25.50 H new ATOM 0 HG LEU A 46 -5.350 2.486 9.803 1.00 10.45 H new ATOM 0 HD11 LEU A 46 -3.752 0.600 9.898 1.00 22.20 H new ATOM 0 HD12 LEU A 46 -3.380 1.714 8.561 1.00 22.20 H new ATOM 0 HD13 LEU A 46 -2.408 1.757 10.051 1.00 22.20 H new ATOM 0 HD21 LEU A 46 -4.809 1.430 11.967 1.00 73.43 H new ATOM 0 HD22 LEU A 46 -3.505 2.615 12.214 1.00 73.43 H new ATOM 0 HD23 LEU A 46 -5.199 3.156 12.152 1.00 73.43 H new ATOM 720 N PRO A 47 -3.541 7.164 10.922 1.00 1.44 N ATOM 721 CA PRO A 47 -2.741 8.374 10.687 1.00 22.14 C ATOM 722 C PRO A 47 -1.314 8.043 10.206 1.00 45.13 C ATOM 723 O PRO A 47 -0.875 6.892 10.284 1.00 35.43 O ATOM 724 CB PRO A 47 -2.706 9.015 12.075 1.00 33.24 C ATOM 725 CG PRO A 47 -2.704 7.855 13.017 1.00 25.41 C ATOM 726 CD PRO A 47 -3.504 6.756 12.345 1.00 31.01 C ATOM 0 HA PRO A 47 -3.158 9.012 9.908 1.00 22.14 H new ATOM 0 HB2 PRO A 47 -1.819 9.634 12.205 1.00 33.24 H new ATOM 0 HB3 PRO A 47 -3.571 9.658 12.238 1.00 33.24 H new ATOM 0 HG2 PRO A 47 -1.686 7.524 13.223 1.00 25.41 H new ATOM 0 HG3 PRO A 47 -3.149 8.130 13.973 1.00 25.41 H new ATOM 0 HD2 PRO A 47 -3.029 5.783 12.470 1.00 31.01 H new ATOM 0 HD3 PRO A 47 -4.507 6.678 12.765 1.00 31.01 H new ATOM 734 N GLU A 48 -0.584 9.050 9.726 1.00 52.42 N ATOM 735 CA GLU A 48 0.793 8.841 9.247 1.00 34.24 C ATOM 736 C GLU A 48 1.739 8.497 10.413 1.00 62.21 C ATOM 737 O GLU A 48 2.614 7.639 10.286 1.00 21.41 O ATOM 738 CB GLU A 48 1.313 10.078 8.484 1.00 21.13 C ATOM 739 CG GLU A 48 1.540 11.327 9.343 1.00 14.22 C ATOM 740 CD GLU A 48 0.254 11.946 9.869 1.00 20.33 C ATOM 741 OE1 GLU A 48 -0.243 11.498 10.926 1.00 32.30 O ATOM 742 OE2 GLU A 48 -0.268 12.878 9.225 1.00 61.04 O ATOM 0 H GLU A 48 -0.915 10.012 9.656 1.00 52.42 H new ATOM 0 HA GLU A 48 0.774 7.997 8.558 1.00 34.24 H new ATOM 0 HB2 GLU A 48 2.252 9.816 7.997 1.00 21.13 H new ATOM 0 HB3 GLU A 48 0.602 10.324 7.695 1.00 21.13 H new ATOM 0 HG2 GLU A 48 2.179 11.066 10.186 1.00 14.22 H new ATOM 0 HG3 GLU A 48 2.077 12.070 8.754 1.00 14.22 H new ATOM 749 N GLY A 49 1.552 9.168 11.549 1.00 53.33 N ATOM 750 CA GLY A 49 2.351 8.882 12.736 1.00 11.24 C ATOM 751 C GLY A 49 1.897 7.619 13.464 1.00 61.43 C ATOM 752 O GLY A 49 1.318 7.688 14.549 1.00 2.13 O ATOM 0 H GLY A 49 0.860 9.907 11.671 1.00 53.33 H new ATOM 0 HA2 GLY A 49 3.396 8.774 12.447 1.00 11.24 H new ATOM 0 HA3 GLY A 49 2.295 9.730 13.419 1.00 11.24 H new ATOM 756 N SER A 50 2.159 6.463 12.863 1.00 32.23 N ATOM 757 CA SER A 50 1.763 5.169 13.440 1.00 74.51 C ATOM 758 C SER A 50 2.826 4.095 13.164 1.00 5.33 C ATOM 759 O SER A 50 3.788 4.333 12.433 1.00 53.33 O ATOM 760 CB SER A 50 0.409 4.721 12.871 1.00 3.44 C ATOM 761 OG SER A 50 0.471 4.554 11.464 1.00 52.13 O ATOM 0 H SER A 50 2.647 6.389 11.970 1.00 32.23 H new ATOM 0 HA SER A 50 1.672 5.296 14.519 1.00 74.51 H new ATOM 0 HB2 SER A 50 0.108 3.783 13.338 1.00 3.44 H new ATOM 0 HB3 SER A 50 -0.354 5.459 13.118 1.00 3.44 H new ATOM 0 HG SER A 50 0.018 5.304 11.025 1.00 52.13 H new ATOM 767 N LYS A 51 2.654 2.915 13.757 1.00 12.40 N ATOM 768 CA LYS A 51 3.630 1.824 13.601 1.00 34.10 C ATOM 769 C LYS A 51 3.335 0.942 12.377 1.00 65.03 C ATOM 770 O LYS A 51 4.226 0.262 11.866 1.00 1.30 O ATOM 771 CB LYS A 51 3.661 0.956 14.865 1.00 15.40 C ATOM 772 CG LYS A 51 4.117 1.700 16.115 1.00 45.32 C ATOM 773 CD LYS A 51 4.288 0.754 17.300 1.00 73.13 C ATOM 774 CE LYS A 51 4.845 1.477 18.520 1.00 24.44 C ATOM 775 NZ LYS A 51 5.214 0.530 19.605 1.00 14.03 N ATOM 0 H LYS A 51 1.855 2.685 14.348 1.00 12.40 H new ATOM 0 HA LYS A 51 4.603 2.289 13.445 1.00 34.10 H new ATOM 0 HB2 LYS A 51 2.665 0.550 15.039 1.00 15.40 H new ATOM 0 HB3 LYS A 51 4.326 0.109 14.696 1.00 15.40 H new ATOM 0 HG2 LYS A 51 5.061 2.206 15.914 1.00 45.32 H new ATOM 0 HG3 LYS A 51 3.389 2.471 16.366 1.00 45.32 H new ATOM 0 HD2 LYS A 51 3.326 0.306 17.550 1.00 73.13 H new ATOM 0 HD3 LYS A 51 4.957 -0.061 17.022 1.00 73.13 H new ATOM 0 HE2 LYS A 51 5.722 2.056 18.230 1.00 24.44 H new ATOM 0 HE3 LYS A 51 4.104 2.185 18.892 1.00 24.44 H new ATOM 0 HZ1 LYS A 51 5.589 1.061 20.417 1.00 14.03 H new ATOM 0 HZ2 LYS A 51 4.372 -0.005 19.900 1.00 14.03 H new ATOM 0 HZ3 LYS A 51 5.940 -0.130 19.258 1.00 14.03 H new ATOM 789 N LEU A 52 2.087 0.943 11.924 1.00 12.32 N ATOM 790 CA LEU A 52 1.683 0.145 10.759 1.00 2.40 C ATOM 791 C LEU A 52 1.749 0.975 9.468 1.00 75.41 C ATOM 792 O LEU A 52 0.961 1.905 9.284 1.00 1.24 O ATOM 793 CB LEU A 52 0.257 -0.391 10.957 1.00 45.21 C ATOM 794 CG LEU A 52 -0.301 -1.239 9.801 1.00 22.45 C ATOM 795 CD1 LEU A 52 0.502 -2.529 9.635 1.00 54.22 C ATOM 796 CD2 LEU A 52 -1.778 -1.548 10.028 1.00 41.34 C ATOM 0 H LEU A 52 1.332 1.486 12.342 1.00 12.32 H new ATOM 0 HA LEU A 52 2.377 -0.690 10.666 1.00 2.40 H new ATOM 0 HB2 LEU A 52 0.237 -0.991 11.867 1.00 45.21 H new ATOM 0 HB3 LEU A 52 -0.411 0.455 11.118 1.00 45.21 H new ATOM 0 HG LEU A 52 -0.208 -0.663 8.880 1.00 22.45 H new ATOM 0 HD11 LEU A 52 0.088 -3.112 8.812 1.00 54.22 H new ATOM 0 HD12 LEU A 52 1.542 -2.285 9.420 1.00 54.22 H new ATOM 0 HD13 LEU A 52 0.449 -3.112 10.555 1.00 54.22 H new ATOM 0 HD21 LEU A 52 -2.155 -2.149 9.200 1.00 41.34 H new ATOM 0 HD22 LEU A 52 -1.895 -2.101 10.960 1.00 41.34 H new ATOM 0 HD23 LEU A 52 -2.340 -0.616 10.086 1.00 41.34 H new ATOM 808 N PRO A 53 2.681 0.659 8.546 1.00 43.43 N ATOM 809 CA PRO A 53 2.815 1.420 7.300 1.00 61.44 C ATOM 810 C PRO A 53 1.681 1.130 6.300 1.00 23.42 C ATOM 811 O PRO A 53 1.744 0.182 5.518 1.00 63.33 O ATOM 812 CB PRO A 53 4.170 0.949 6.750 1.00 54.42 C ATOM 813 CG PRO A 53 4.341 -0.432 7.292 1.00 60.02 C ATOM 814 CD PRO A 53 3.667 -0.440 8.644 1.00 41.31 C ATOM 0 HA PRO A 53 2.758 2.496 7.467 1.00 61.44 H new ATOM 0 HB2 PRO A 53 4.177 0.950 5.660 1.00 54.42 H new ATOM 0 HB3 PRO A 53 4.978 1.604 7.074 1.00 54.42 H new ATOM 0 HG2 PRO A 53 3.890 -1.169 6.628 1.00 60.02 H new ATOM 0 HG3 PRO A 53 5.397 -0.687 7.382 1.00 60.02 H new ATOM 0 HD2 PRO A 53 3.184 -1.396 8.846 1.00 41.31 H new ATOM 0 HD3 PRO A 53 4.381 -0.268 9.449 1.00 41.31 H new ATOM 822 N TRP A 54 0.657 1.978 6.324 1.00 14.33 N ATOM 823 CA TRP A 54 -0.488 1.860 5.409 1.00 73.32 C ATOM 824 C TRP A 54 -0.153 2.410 4.012 1.00 0.35 C ATOM 825 O TRP A 54 -0.612 1.890 2.995 1.00 40.01 O ATOM 826 CB TRP A 54 -1.697 2.609 5.998 1.00 5.23 C ATOM 827 CG TRP A 54 -1.367 3.998 6.478 1.00 12.52 C ATOM 828 CD1 TRP A 54 -0.936 4.345 7.725 1.00 64.24 C ATOM 829 CD2 TRP A 54 -1.440 5.219 5.725 1.00 73.42 C ATOM 830 NE1 TRP A 54 -0.726 5.698 7.791 1.00 40.52 N ATOM 831 CE2 TRP A 54 -1.034 6.259 6.581 1.00 1.32 C ATOM 832 CE3 TRP A 54 -1.810 5.534 4.414 1.00 51.14 C ATOM 833 CZ2 TRP A 54 -0.984 7.588 6.169 1.00 41.45 C ATOM 834 CZ3 TRP A 54 -1.760 6.853 4.005 1.00 3.03 C ATOM 835 CH2 TRP A 54 -1.351 7.867 4.880 1.00 33.15 C ATOM 0 H TRP A 54 0.591 2.763 6.971 1.00 14.33 H new ATOM 0 HA TRP A 54 -0.729 0.803 5.298 1.00 73.32 H new ATOM 0 HB2 TRP A 54 -2.480 2.671 5.242 1.00 5.23 H new ATOM 0 HB3 TRP A 54 -2.102 2.032 6.830 1.00 5.23 H new ATOM 0 HD1 TRP A 54 -0.783 3.654 8.541 1.00 64.24 H new ATOM 0 HE1 TRP A 54 -0.393 6.206 8.611 1.00 40.52 H new ATOM 0 HE3 TRP A 54 -2.129 4.760 3.732 1.00 51.14 H new ATOM 0 HZ2 TRP A 54 -0.667 8.371 6.842 1.00 41.45 H new ATOM 0 HZ3 TRP A 54 -2.041 7.106 2.993 1.00 3.03 H new ATOM 0 HH2 TRP A 54 -1.325 8.889 4.531 1.00 33.15 H new ATOM 846 N PHE A 55 0.673 3.454 3.978 1.00 43.52 N ATOM 847 CA PHE A 55 1.012 4.163 2.737 1.00 72.44 C ATOM 848 C PHE A 55 1.739 3.282 1.702 1.00 54.23 C ATOM 849 O PHE A 55 1.899 3.683 0.550 1.00 20.22 O ATOM 850 CB PHE A 55 1.860 5.400 3.071 1.00 75.43 C ATOM 851 CG PHE A 55 3.080 5.100 3.909 1.00 63.04 C ATOM 852 CD1 PHE A 55 4.294 4.790 3.312 1.00 60.20 C ATOM 853 CD2 PHE A 55 3.012 5.134 5.296 1.00 11.23 C ATOM 854 CE1 PHE A 55 5.410 4.520 4.081 1.00 61.03 C ATOM 855 CE2 PHE A 55 4.124 4.865 6.065 1.00 14.21 C ATOM 856 CZ PHE A 55 5.326 4.558 5.457 1.00 30.35 C ATOM 0 H PHE A 55 1.128 3.835 4.807 1.00 43.52 H new ATOM 0 HA PHE A 55 0.071 4.459 2.273 1.00 72.44 H new ATOM 0 HB2 PHE A 55 2.178 5.872 2.141 1.00 75.43 H new ATOM 0 HB3 PHE A 55 1.238 6.123 3.599 1.00 75.43 H new ATOM 0 HD1 PHE A 55 4.367 4.759 2.235 1.00 60.20 H new ATOM 0 HD2 PHE A 55 2.076 5.374 5.778 1.00 11.23 H new ATOM 0 HE1 PHE A 55 6.349 4.279 3.604 1.00 61.03 H new ATOM 0 HE2 PHE A 55 4.056 4.894 7.142 1.00 14.21 H new ATOM 0 HZ PHE A 55 6.198 4.348 6.058 1.00 30.35 H new ATOM 866 N ARG A 56 2.171 2.088 2.106 1.00 31.54 N ATOM 867 CA ARG A 56 2.915 1.199 1.202 1.00 30.51 C ATOM 868 C ARG A 56 1.979 0.294 0.386 1.00 43.01 C ATOM 869 O ARG A 56 2.420 -0.392 -0.536 1.00 50.20 O ATOM 870 CB ARG A 56 3.907 0.331 1.990 1.00 64.03 C ATOM 871 CG ARG A 56 4.770 1.113 2.976 1.00 44.21 C ATOM 872 CD ARG A 56 6.183 0.549 3.076 1.00 75.20 C ATOM 873 NE ARG A 56 6.928 0.761 1.835 1.00 5.12 N ATOM 874 CZ ARG A 56 7.526 1.883 1.536 1.00 33.43 C ATOM 875 NH1 ARG A 56 7.529 2.870 2.373 1.00 40.02 N ATOM 876 NH2 ARG A 56 8.119 2.022 0.397 1.00 51.30 N ATOM 0 H ARG A 56 2.023 1.713 3.043 1.00 31.54 H new ATOM 0 HA ARG A 56 3.461 1.838 0.508 1.00 30.51 H new ATOM 0 HB2 ARG A 56 3.352 -0.433 2.535 1.00 64.03 H new ATOM 0 HB3 ARG A 56 4.558 -0.189 1.287 1.00 64.03 H new ATOM 0 HG2 ARG A 56 4.818 2.157 2.666 1.00 44.21 H new ATOM 0 HG3 ARG A 56 4.302 1.094 3.960 1.00 44.21 H new ATOM 0 HD2 ARG A 56 6.709 1.024 3.904 1.00 75.20 H new ATOM 0 HD3 ARG A 56 6.137 -0.517 3.297 1.00 75.20 H new ATOM 0 HE ARG A 56 6.983 -0.008 1.168 1.00 5.12 H new ATOM 0 HH11 ARG A 56 7.062 2.775 3.275 1.00 40.02 H new ATOM 0 HH12 ARG A 56 7.999 3.743 2.131 1.00 40.02 H new ATOM 0 HH21 ARG A 56 8.122 1.254 -0.274 1.00 51.30 H new ATOM 0 HH22 ARG A 56 8.585 2.900 0.168 1.00 51.30 H new ATOM 890 N VAL A 57 0.692 0.286 0.732 1.00 43.34 N ATOM 891 CA VAL A 57 -0.285 -0.575 0.051 1.00 61.52 C ATOM 892 C VAL A 57 -1.204 0.244 -0.875 1.00 62.51 C ATOM 893 O VAL A 57 -2.059 1.007 -0.415 1.00 35.21 O ATOM 894 CB VAL A 57 -1.146 -1.364 1.073 1.00 25.21 C ATOM 895 CG1 VAL A 57 -2.006 -2.409 0.364 1.00 73.32 C ATOM 896 CG2 VAL A 57 -0.262 -2.013 2.139 1.00 73.41 C ATOM 0 H VAL A 57 0.299 0.862 1.476 1.00 43.34 H new ATOM 0 HA VAL A 57 0.281 -1.283 -0.554 1.00 61.52 H new ATOM 0 HB VAL A 57 -1.814 -0.661 1.572 1.00 25.21 H new ATOM 0 HG11 VAL A 57 -2.601 -2.950 1.100 1.00 73.32 H new ATOM 0 HG12 VAL A 57 -2.669 -1.914 -0.346 1.00 73.32 H new ATOM 0 HG13 VAL A 57 -1.362 -3.109 -0.168 1.00 73.32 H new ATOM 0 HG21 VAL A 57 -0.886 -2.561 2.845 1.00 73.41 H new ATOM 0 HG22 VAL A 57 0.437 -2.701 1.663 1.00 73.41 H new ATOM 0 HG23 VAL A 57 0.294 -1.241 2.670 1.00 73.41 H new ATOM 906 N ILE A 58 -1.018 0.084 -2.186 1.00 71.03 N ATOM 907 CA ILE A 58 -1.794 0.827 -3.189 1.00 33.35 C ATOM 908 C ILE A 58 -2.778 -0.086 -3.948 1.00 55.23 C ATOM 909 O ILE A 58 -2.998 -1.240 -3.568 1.00 63.53 O ATOM 910 CB ILE A 58 -0.852 1.526 -4.203 1.00 11.25 C ATOM 911 CG1 ILE A 58 0.000 0.486 -4.952 1.00 62.42 C ATOM 912 CG2 ILE A 58 0.034 2.557 -3.498 1.00 31.32 C ATOM 913 CD1 ILE A 58 0.984 1.091 -5.928 1.00 31.34 C ATOM 0 H ILE A 58 -0.332 -0.558 -2.584 1.00 71.03 H new ATOM 0 HA ILE A 58 -2.372 1.578 -2.650 1.00 33.35 H new ATOM 0 HB ILE A 58 -1.463 2.054 -4.935 1.00 11.25 H new ATOM 0 HG12 ILE A 58 0.547 -0.114 -4.224 1.00 62.42 H new ATOM 0 HG13 ILE A 58 -0.662 -0.192 -5.491 1.00 62.42 H new ATOM 0 HG21 ILE A 58 0.687 3.035 -4.228 1.00 31.32 H new ATOM 0 HG22 ILE A 58 -0.593 3.311 -3.023 1.00 31.32 H new ATOM 0 HG23 ILE A 58 0.640 2.059 -2.741 1.00 31.32 H new ATOM 0 HD11 ILE A 58 1.547 0.296 -6.417 1.00 31.34 H new ATOM 0 HD12 ILE A 58 0.444 1.667 -6.679 1.00 31.34 H new ATOM 0 HD13 ILE A 58 1.671 1.746 -5.393 1.00 31.34 H new ATOM 925 N ASN A 59 -3.383 0.433 -5.021 1.00 74.10 N ATOM 926 CA ASN A 59 -4.358 -0.342 -5.795 1.00 64.55 C ATOM 927 C ASN A 59 -3.648 -1.213 -6.850 1.00 25.31 C ATOM 928 O ASN A 59 -2.513 -0.934 -7.241 1.00 22.11 O ATOM 929 CB ASN A 59 -5.389 0.595 -6.448 1.00 1.45 C ATOM 930 CG ASN A 59 -4.850 1.307 -7.674 1.00 64.31 C ATOM 931 OD1 ASN A 59 -5.169 0.799 -8.844 1.00 43.23 O flip ATOM 932 ND2 ASN A 59 -4.177 2.318 -7.574 1.00 62.33 N flip ATOM 0 H ASN A 59 -3.217 1.377 -5.371 1.00 74.10 H new ATOM 0 HA ASN A 59 -4.889 -1.010 -5.117 1.00 64.55 H new ATOM 0 HB2 ASN A 59 -6.270 0.018 -6.728 1.00 1.45 H new ATOM 0 HB3 ASN A 59 -5.712 1.336 -5.717 1.00 1.45 H new ATOM 0 HD21 ASN A 59 -3.946 2.688 -6.652 1.00 62.33 H new ATOM 0 HD22 ASN A 59 -3.845 2.794 -8.412 1.00 62.33 H new ATOM 939 N SER A 60 -4.335 -2.247 -7.329 1.00 74.44 N ATOM 940 CA SER A 60 -3.726 -3.278 -8.197 1.00 43.31 C ATOM 941 C SER A 60 -3.199 -2.743 -9.543 1.00 62.13 C ATOM 942 O SER A 60 -2.573 -3.489 -10.297 1.00 42.11 O ATOM 943 CB SER A 60 -4.731 -4.408 -8.457 1.00 61.02 C ATOM 944 OG SER A 60 -5.058 -5.095 -7.257 1.00 33.32 O ATOM 0 H SER A 60 -5.324 -2.403 -7.134 1.00 74.44 H new ATOM 0 HA SER A 60 -2.858 -3.647 -7.651 1.00 43.31 H new ATOM 0 HB2 SER A 60 -5.637 -3.996 -8.901 1.00 61.02 H new ATOM 0 HB3 SER A 60 -4.313 -5.110 -9.178 1.00 61.02 H new ATOM 0 HG SER A 60 -5.701 -5.808 -7.453 1.00 33.32 H new ATOM 950 N GLN A 61 -3.443 -1.469 -9.852 1.00 24.33 N ATOM 951 CA GLN A 61 -2.973 -0.877 -11.119 1.00 53.04 C ATOM 952 C GLN A 61 -1.699 -0.036 -10.921 1.00 11.10 C ATOM 953 O GLN A 61 -1.030 0.335 -11.891 1.00 33.32 O ATOM 954 CB GLN A 61 -4.072 -0.007 -11.741 1.00 11.32 C ATOM 955 CG GLN A 61 -5.382 -0.745 -11.985 1.00 61.32 C ATOM 956 CD GLN A 61 -6.432 0.126 -12.652 1.00 44.04 C ATOM 957 OE1 GLN A 61 -6.458 1.341 -12.476 1.00 34.23 O ATOM 958 NE2 GLN A 61 -7.300 -0.484 -13.429 1.00 63.14 N ATOM 0 H GLN A 61 -3.959 -0.826 -9.252 1.00 24.33 H new ATOM 0 HA GLN A 61 -2.733 -1.701 -11.792 1.00 53.04 H new ATOM 0 HB2 GLN A 61 -4.262 0.843 -11.086 1.00 11.32 H new ATOM 0 HB3 GLN A 61 -3.711 0.394 -12.688 1.00 11.32 H new ATOM 0 HG2 GLN A 61 -5.191 -1.618 -12.609 1.00 61.32 H new ATOM 0 HG3 GLN A 61 -5.770 -1.111 -11.034 1.00 61.32 H new ATOM 0 HE21 GLN A 61 -7.250 -1.495 -13.554 1.00 63.14 H new ATOM 0 HE22 GLN A 61 -8.023 0.054 -13.907 1.00 63.14 H new ATOM 967 N GLY A 62 -1.363 0.262 -9.668 1.00 44.14 N ATOM 968 CA GLY A 62 -0.183 1.075 -9.386 1.00 41.21 C ATOM 969 C GLY A 62 -0.486 2.568 -9.291 1.00 2.15 C ATOM 970 O GLY A 62 0.050 3.368 -10.059 1.00 55.33 O ATOM 0 H GLY A 62 -1.882 -0.042 -8.844 1.00 44.14 H new ATOM 0 HA2 GLY A 62 0.264 0.742 -8.449 1.00 41.21 H new ATOM 0 HA3 GLY A 62 0.558 0.911 -10.168 1.00 41.21 H new ATOM 974 N LYS A 63 -1.357 2.939 -8.360 1.00 3.13 N ATOM 975 CA LYS A 63 -1.688 4.346 -8.104 1.00 33.03 C ATOM 976 C LYS A 63 -2.075 4.546 -6.631 1.00 75.34 C ATOM 977 O LYS A 63 -2.462 3.596 -5.946 1.00 64.32 O ATOM 978 CB LYS A 63 -2.827 4.809 -9.037 1.00 40.41 C ATOM 979 CG LYS A 63 -3.300 6.243 -8.789 1.00 12.32 C ATOM 980 CD LYS A 63 -4.358 6.695 -9.796 1.00 33.14 C ATOM 981 CE LYS A 63 -3.798 6.789 -11.212 1.00 2.24 C ATOM 982 NZ LYS A 63 -4.804 7.309 -12.177 1.00 32.14 N ATOM 0 H LYS A 63 -1.855 2.280 -7.761 1.00 3.13 H new ATOM 0 HA LYS A 63 -0.808 4.954 -8.311 1.00 33.03 H new ATOM 0 HB2 LYS A 63 -2.492 4.723 -10.071 1.00 40.41 H new ATOM 0 HB3 LYS A 63 -3.675 4.134 -8.919 1.00 40.41 H new ATOM 0 HG2 LYS A 63 -3.708 6.318 -7.781 1.00 12.32 H new ATOM 0 HG3 LYS A 63 -2.445 6.917 -8.838 1.00 12.32 H new ATOM 0 HD2 LYS A 63 -5.193 5.995 -9.783 1.00 33.14 H new ATOM 0 HD3 LYS A 63 -4.751 7.667 -9.497 1.00 33.14 H new ATOM 0 HE2 LYS A 63 -2.924 7.440 -11.213 1.00 2.24 H new ATOM 0 HE3 LYS A 63 -3.462 5.804 -11.535 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 -4.382 7.357 -13.126 1.00 32.14 H new ATOM 0 HZ2 LYS A 63 -5.628 6.674 -12.196 1.00 32.14 H new ATOM 0 HZ3 LYS A 63 -5.107 8.260 -11.884 1.00 32.14 H new ATOM 996 N ILE A 64 -1.943 5.774 -6.141 1.00 43.30 N ATOM 997 CA ILE A 64 -2.301 6.101 -4.762 1.00 15.30 C ATOM 998 C ILE A 64 -3.817 5.957 -4.530 1.00 72.41 C ATOM 999 O ILE A 64 -4.631 6.553 -5.239 1.00 51.41 O ATOM 1000 CB ILE A 64 -1.840 7.536 -4.398 1.00 63.11 C ATOM 1001 CG1 ILE A 64 -0.314 7.656 -4.551 1.00 15.25 C ATOM 1002 CG2 ILE A 64 -2.272 7.904 -2.980 1.00 30.30 C ATOM 1003 CD1 ILE A 64 0.233 9.037 -4.245 1.00 21.34 C ATOM 0 H ILE A 64 -1.589 6.564 -6.680 1.00 43.30 H new ATOM 0 HA ILE A 64 -1.787 5.393 -4.112 1.00 15.30 H new ATOM 0 HB ILE A 64 -2.316 8.237 -5.084 1.00 63.11 H new ATOM 0 HG12 ILE A 64 0.164 6.933 -3.890 1.00 15.25 H new ATOM 0 HG13 ILE A 64 -0.040 7.386 -5.571 1.00 15.25 H new ATOM 0 HG21 ILE A 64 -1.937 8.915 -2.748 1.00 30.30 H new ATOM 0 HG22 ILE A 64 -3.358 7.856 -2.907 1.00 30.30 H new ATOM 0 HG23 ILE A 64 -1.829 7.204 -2.272 1.00 30.30 H new ATOM 0 HD11 ILE A 64 1.315 9.037 -4.376 1.00 21.34 H new ATOM 0 HD12 ILE A 64 -0.215 9.764 -4.922 1.00 21.34 H new ATOM 0 HD13 ILE A 64 -0.008 9.304 -3.216 1.00 21.34 H new ATOM 1015 N SER A 65 -4.184 5.149 -3.538 1.00 52.42 N ATOM 1016 CA SER A 65 -5.592 4.878 -3.222 1.00 61.45 C ATOM 1017 C SER A 65 -6.287 6.109 -2.631 1.00 32.03 C ATOM 1018 O SER A 65 -7.377 6.495 -3.066 1.00 1.40 O ATOM 1019 CB SER A 65 -5.683 3.719 -2.228 1.00 2.32 C ATOM 1020 OG SER A 65 -4.953 4.013 -1.048 1.00 43.33 O ATOM 0 H SER A 65 -3.522 4.665 -2.932 1.00 52.42 H new ATOM 0 HA SER A 65 -6.097 4.617 -4.152 1.00 61.45 H new ATOM 0 HB2 SER A 65 -6.727 3.529 -1.978 1.00 2.32 H new ATOM 0 HB3 SER A 65 -5.294 2.809 -2.685 1.00 2.32 H new ATOM 0 HG SER A 65 -4.873 3.203 -0.503 1.00 43.33 H new ATOM 1026 N LEU A 66 -5.663 6.706 -1.620 1.00 21.05 N ATOM 1027 CA LEU A 66 -6.193 7.913 -0.983 1.00 1.03 C ATOM 1028 C LEU A 66 -6.055 9.129 -1.909 1.00 45.20 C ATOM 1029 O LEU A 66 -4.995 9.377 -2.473 1.00 44.34 O ATOM 1030 CB LEU A 66 -5.475 8.172 0.348 1.00 72.12 C ATOM 1031 CG LEU A 66 -5.631 7.065 1.407 1.00 5.52 C ATOM 1032 CD1 LEU A 66 -4.912 7.446 2.698 1.00 24.20 C ATOM 1033 CD2 LEU A 66 -7.107 6.777 1.681 1.00 45.31 C ATOM 0 H LEU A 66 -4.785 6.374 -1.221 1.00 21.05 H new ATOM 0 HA LEU A 66 -7.253 7.755 -0.786 1.00 1.03 H new ATOM 0 HB2 LEU A 66 -4.413 8.313 0.147 1.00 72.12 H new ATOM 0 HB3 LEU A 66 -5.847 9.107 0.766 1.00 72.12 H new ATOM 0 HG LEU A 66 -5.173 6.157 1.014 1.00 5.52 H new ATOM 0 HD11 LEU A 66 -5.035 6.650 3.432 1.00 24.20 H new ATOM 0 HD12 LEU A 66 -3.851 7.591 2.494 1.00 24.20 H new ATOM 0 HD13 LEU A 66 -5.335 8.370 3.091 1.00 24.20 H new ATOM 0 HD21 LEU A 66 -7.191 5.992 2.432 1.00 45.31 H new ATOM 0 HD22 LEU A 66 -7.593 7.682 2.046 1.00 45.31 H new ATOM 0 HD23 LEU A 66 -7.591 6.452 0.760 1.00 45.31 H new ATOM 1045 N LYS A 67 -7.139 9.880 -2.063 1.00 4.14 N ATOM 1046 CA LYS A 67 -7.165 11.022 -2.983 1.00 74.50 C ATOM 1047 C LYS A 67 -7.207 12.363 -2.229 1.00 22.45 C ATOM 1048 O LYS A 67 -7.100 12.408 -1.003 1.00 31.11 O ATOM 1049 CB LYS A 67 -8.373 10.893 -3.921 1.00 41.12 C ATOM 1050 CG LYS A 67 -8.343 9.629 -4.780 1.00 55.30 C ATOM 1051 CD LYS A 67 -9.603 9.461 -5.633 1.00 35.54 C ATOM 1052 CE LYS A 67 -10.821 9.036 -4.810 1.00 63.24 C ATOM 1053 NZ LYS A 67 -11.305 10.100 -3.886 1.00 73.13 N ATOM 0 H LYS A 67 -8.015 9.722 -1.564 1.00 4.14 H new ATOM 0 HA LYS A 67 -6.245 11.012 -3.567 1.00 74.50 H new ATOM 0 HB2 LYS A 67 -9.287 10.898 -3.327 1.00 41.12 H new ATOM 0 HB3 LYS A 67 -8.412 11.766 -4.573 1.00 41.12 H new ATOM 0 HG2 LYS A 67 -7.470 9.659 -5.432 1.00 55.30 H new ATOM 0 HG3 LYS A 67 -8.229 8.759 -4.134 1.00 55.30 H new ATOM 0 HD2 LYS A 67 -9.822 10.401 -6.139 1.00 35.54 H new ATOM 0 HD3 LYS A 67 -9.416 8.718 -6.408 1.00 35.54 H new ATOM 0 HE2 LYS A 67 -11.629 8.756 -5.486 1.00 63.24 H new ATOM 0 HE3 LYS A 67 -10.568 8.148 -4.231 1.00 63.24 H new ATOM 0 HZ1 LYS A 67 -12.340 10.044 -3.804 1.00 73.13 H new ATOM 0 HZ2 LYS A 67 -10.876 9.967 -2.948 1.00 73.13 H new ATOM 0 HZ3 LYS A 67 -11.037 11.033 -4.260 1.00 73.13 H new ATOM 1067 N GLY A 68 -7.347 13.456 -2.978 1.00 3.23 N ATOM 1068 CA GLY A 68 -7.388 14.786 -2.377 1.00 54.53 C ATOM 1069 C GLY A 68 -6.047 15.214 -1.785 1.00 35.42 C ATOM 1070 O GLY A 68 -5.048 15.329 -2.499 1.00 75.12 O ATOM 0 H GLY A 68 -7.433 13.447 -3.994 1.00 3.23 H new ATOM 0 HA2 GLY A 68 -7.694 15.511 -3.132 1.00 54.53 H new ATOM 0 HA3 GLY A 68 -8.146 14.802 -1.594 1.00 54.53 H new ATOM 1074 N ARG A 69 -6.020 15.449 -0.475 1.00 2.33 N ATOM 1075 CA ARG A 69 -4.790 15.848 0.215 1.00 44.21 C ATOM 1076 C ARG A 69 -4.013 14.623 0.721 1.00 11.14 C ATOM 1077 O ARG A 69 -2.777 14.610 0.703 1.00 61.44 O ATOM 1078 CB ARG A 69 -5.108 16.795 1.379 1.00 4.53 C ATOM 1079 CG ARG A 69 -5.907 18.028 0.963 1.00 63.44 C ATOM 1080 CD ARG A 69 -5.779 19.149 1.986 1.00 21.34 C ATOM 1081 NE ARG A 69 -4.403 19.635 2.078 1.00 63.14 N ATOM 1082 CZ ARG A 69 -3.858 20.108 3.166 1.00 32.22 C ATOM 1083 NH1 ARG A 69 -4.547 20.210 4.262 1.00 34.42 N ATOM 1084 NH2 ARG A 69 -2.621 20.485 3.149 1.00 20.44 N ATOM 0 H ARG A 69 -6.835 15.371 0.133 1.00 2.33 H new ATOM 0 HA ARG A 69 -4.161 16.374 -0.503 1.00 44.21 H new ATOM 0 HB2 ARG A 69 -5.668 16.249 2.138 1.00 4.53 H new ATOM 0 HB3 ARG A 69 -4.174 17.116 1.841 1.00 4.53 H new ATOM 0 HG2 ARG A 69 -5.557 18.379 -0.008 1.00 63.44 H new ATOM 0 HG3 ARG A 69 -6.957 17.760 0.846 1.00 63.44 H new ATOM 0 HD2 ARG A 69 -6.439 19.972 1.711 1.00 21.34 H new ATOM 0 HD3 ARG A 69 -6.106 18.791 2.962 1.00 21.34 H new ATOM 0 HE ARG A 69 -3.830 19.602 1.235 1.00 63.14 H new ATOM 0 HH11 ARG A 69 -5.524 19.919 4.279 1.00 34.42 H new ATOM 0 HH12 ARG A 69 -4.111 20.581 5.106 1.00 34.42 H new ATOM 0 HH21 ARG A 69 -2.077 20.412 2.289 1.00 20.44 H new ATOM 0 HH22 ARG A 69 -2.189 20.855 3.996 1.00 20.44 H new ATOM 1098 N ASP A 70 -4.739 13.591 1.155 1.00 52.55 N ATOM 1099 CA ASP A 70 -4.118 12.339 1.608 1.00 62.22 C ATOM 1100 C ASP A 70 -3.205 11.739 0.525 1.00 24.30 C ATOM 1101 O ASP A 70 -2.190 11.111 0.833 1.00 2.42 O ATOM 1102 CB ASP A 70 -5.198 11.331 2.003 1.00 74.32 C ATOM 1103 CG ASP A 70 -6.010 11.805 3.193 1.00 50.42 C ATOM 1104 OD1 ASP A 70 -7.019 12.511 2.993 1.00 40.44 O ATOM 1105 OD2 ASP A 70 -5.631 11.486 4.340 1.00 10.42 O ATOM 0 H ASP A 70 -5.758 13.595 1.203 1.00 52.55 H new ATOM 0 HA ASP A 70 -3.501 12.566 2.477 1.00 62.22 H new ATOM 0 HB2 ASP A 70 -5.862 11.161 1.156 1.00 74.32 H new ATOM 0 HB3 ASP A 70 -4.732 10.375 2.240 1.00 74.32 H new ATOM 1110 N LEU A 71 -3.577 11.948 -0.738 1.00 50.34 N ATOM 1111 CA LEU A 71 -2.766 11.507 -1.883 1.00 15.42 C ATOM 1112 C LEU A 71 -1.322 12.029 -1.772 1.00 15.03 C ATOM 1113 O LEU A 71 -0.357 11.275 -1.917 1.00 0.42 O ATOM 1114 CB LEU A 71 -3.435 11.992 -3.189 1.00 43.32 C ATOM 1115 CG LEU A 71 -2.851 11.446 -4.514 1.00 10.21 C ATOM 1116 CD1 LEU A 71 -3.891 11.523 -5.630 1.00 22.44 C ATOM 1117 CD2 LEU A 71 -1.586 12.204 -4.930 1.00 74.20 C ATOM 0 H LEU A 71 -4.441 12.423 -1.000 1.00 50.34 H new ATOM 0 HA LEU A 71 -2.713 10.418 -1.889 1.00 15.42 H new ATOM 0 HB2 LEU A 71 -4.492 11.727 -3.148 1.00 43.32 H new ATOM 0 HB3 LEU A 71 -3.380 13.080 -3.216 1.00 43.32 H new ATOM 0 HG LEU A 71 -2.581 10.404 -4.345 1.00 10.21 H new ATOM 0 HD11 LEU A 71 -3.463 11.135 -6.554 1.00 22.44 H new ATOM 0 HD12 LEU A 71 -4.763 10.929 -5.357 1.00 22.44 H new ATOM 0 HD13 LEU A 71 -4.191 12.561 -5.777 1.00 22.44 H new ATOM 0 HD21 LEU A 71 -1.206 11.792 -5.865 1.00 74.20 H new ATOM 0 HD22 LEU A 71 -1.823 13.259 -5.069 1.00 74.20 H new ATOM 0 HD23 LEU A 71 -0.828 12.101 -4.153 1.00 74.20 H new ATOM 1129 N ASP A 72 -1.185 13.323 -1.494 1.00 52.02 N ATOM 1130 CA ASP A 72 0.131 13.958 -1.369 1.00 1.33 C ATOM 1131 C ASP A 72 0.885 13.408 -0.145 1.00 64.31 C ATOM 1132 O ASP A 72 2.081 13.112 -0.215 1.00 54.31 O ATOM 1133 CB ASP A 72 -0.037 15.482 -1.266 1.00 44.22 C ATOM 1134 CG ASP A 72 1.280 16.232 -1.400 1.00 62.11 C ATOM 1135 OD1 ASP A 72 1.990 16.387 -0.386 1.00 35.13 O ATOM 1136 OD2 ASP A 72 1.607 16.669 -2.524 1.00 53.11 O ATOM 0 H ASP A 72 -1.971 13.957 -1.350 1.00 52.02 H new ATOM 0 HA ASP A 72 0.721 13.728 -2.256 1.00 1.33 H new ATOM 0 HB2 ASP A 72 -0.723 15.820 -2.043 1.00 44.22 H new ATOM 0 HB3 ASP A 72 -0.494 15.728 -0.308 1.00 44.22 H new ATOM 1141 N ARG A 73 0.169 13.248 0.970 1.00 64.34 N ATOM 1142 CA ARG A 73 0.765 12.723 2.206 1.00 64.42 C ATOM 1143 C ARG A 73 1.281 11.285 2.023 1.00 50.22 C ATOM 1144 O ARG A 73 2.347 10.926 2.530 1.00 10.44 O ATOM 1145 CB ARG A 73 -0.247 12.790 3.362 1.00 55.53 C ATOM 1146 CG ARG A 73 0.286 12.209 4.673 1.00 51.42 C ATOM 1147 CD ARG A 73 -0.598 12.557 5.869 1.00 53.43 C ATOM 1148 NE ARG A 73 -1.973 12.074 5.725 1.00 43.22 N ATOM 1149 CZ ARG A 73 -2.885 12.189 6.658 1.00 54.21 C ATOM 1150 NH1 ARG A 73 -2.593 12.693 7.814 1.00 2.11 N ATOM 1151 NH2 ARG A 73 -4.091 11.788 6.441 1.00 63.22 N ATOM 0 H ARG A 73 -0.823 13.473 1.045 1.00 64.34 H new ATOM 0 HA ARG A 73 1.622 13.351 2.451 1.00 64.42 H new ATOM 0 HB2 ARG A 73 -0.533 13.829 3.524 1.00 55.53 H new ATOM 0 HB3 ARG A 73 -1.150 12.251 3.076 1.00 55.53 H new ATOM 0 HG2 ARG A 73 0.360 11.125 4.583 1.00 51.42 H new ATOM 0 HG3 ARG A 73 1.294 12.584 4.849 1.00 51.42 H new ATOM 0 HD2 ARG A 73 -0.162 12.130 6.772 1.00 53.43 H new ATOM 0 HD3 ARG A 73 -0.611 13.639 6.001 1.00 53.43 H new ATOM 0 HE ARG A 73 -2.235 11.623 4.849 1.00 43.22 H new ATOM 0 HH11 ARG A 73 -1.642 13.007 8.008 1.00 2.11 H new ATOM 0 HH12 ARG A 73 -3.314 12.776 8.531 1.00 2.11 H new ATOM 0 HH21 ARG A 73 -4.338 11.379 5.540 1.00 63.22 H new ATOM 0 HH22 ARG A 73 -4.798 11.880 7.171 1.00 63.22 H new ATOM 1165 N GLN A 74 0.535 10.461 1.290 1.00 50.12 N ATOM 1166 CA GLN A 74 0.970 9.091 1.016 1.00 74.34 C ATOM 1167 C GLN A 74 2.227 9.090 0.132 1.00 1.32 C ATOM 1168 O GLN A 74 3.179 8.347 0.383 1.00 72.12 O ATOM 1169 CB GLN A 74 -0.153 8.280 0.349 1.00 52.04 C ATOM 1170 CG GLN A 74 0.157 6.788 0.259 1.00 14.30 C ATOM 1171 CD GLN A 74 -0.975 5.956 -0.324 1.00 42.41 C ATOM 1172 OE1 GLN A 74 -2.146 6.298 -0.209 1.00 15.21 O ATOM 1173 NE2 GLN A 74 -0.633 4.837 -0.934 1.00 22.14 N ATOM 0 H GLN A 74 -0.364 10.713 0.879 1.00 50.12 H new ATOM 0 HA GLN A 74 1.213 8.618 1.968 1.00 74.34 H new ATOM 0 HB2 GLN A 74 -1.077 8.420 0.911 1.00 52.04 H new ATOM 0 HB3 GLN A 74 -0.328 8.670 -0.654 1.00 52.04 H new ATOM 0 HG2 GLN A 74 1.049 6.649 -0.352 1.00 14.30 H new ATOM 0 HG3 GLN A 74 0.392 6.415 1.256 1.00 14.30 H new ATOM 0 HE21 GLN A 74 0.351 4.580 -1.014 1.00 22.14 H new ATOM 0 HE22 GLN A 74 -1.352 4.229 -1.326 1.00 22.14 H new ATOM 1182 N LYS A 75 2.237 9.954 -0.887 1.00 54.23 N ATOM 1183 CA LYS A 75 3.382 10.049 -1.798 1.00 33.03 C ATOM 1184 C LYS A 75 4.664 10.466 -1.065 1.00 42.10 C ATOM 1185 O LYS A 75 5.713 9.858 -1.262 1.00 21.01 O ATOM 1186 CB LYS A 75 3.103 11.029 -2.948 1.00 54.12 C ATOM 1187 CG LYS A 75 4.236 11.080 -3.976 1.00 22.42 C ATOM 1188 CD LYS A 75 3.900 11.957 -5.179 1.00 42.25 C ATOM 1189 CE LYS A 75 3.815 13.426 -4.804 1.00 65.01 C ATOM 1190 NZ LYS A 75 5.122 13.968 -4.341 1.00 51.44 N ATOM 0 H LYS A 75 1.472 10.593 -1.101 1.00 54.23 H new ATOM 0 HA LYS A 75 3.532 9.052 -2.212 1.00 33.03 H new ATOM 0 HB2 LYS A 75 2.178 10.741 -3.448 1.00 54.12 H new ATOM 0 HB3 LYS A 75 2.946 12.027 -2.538 1.00 54.12 H new ATOM 0 HG2 LYS A 75 5.139 11.458 -3.497 1.00 22.42 H new ATOM 0 HG3 LYS A 75 4.456 10.069 -4.319 1.00 22.42 H new ATOM 0 HD2 LYS A 75 4.659 11.823 -5.949 1.00 42.25 H new ATOM 0 HD3 LYS A 75 2.951 11.636 -5.608 1.00 42.25 H new ATOM 0 HE2 LYS A 75 3.471 13.999 -5.665 1.00 65.01 H new ATOM 0 HE3 LYS A 75 3.071 13.555 -4.018 1.00 65.01 H new ATOM 0 HZ1 LYS A 75 5.022 14.981 -4.129 1.00 51.44 H new ATOM 0 HZ2 LYS A 75 5.423 13.463 -3.483 1.00 51.44 H new ATOM 0 HZ3 LYS A 75 5.835 13.839 -5.087 1.00 51.44 H new ATOM 1204 N GLN A 76 4.584 11.498 -0.218 1.00 24.11 N ATOM 1205 CA GLN A 76 5.765 11.970 0.521 1.00 73.15 C ATOM 1206 C GLN A 76 6.340 10.847 1.405 1.00 23.11 C ATOM 1207 O GLN A 76 7.559 10.699 1.534 1.00 62.33 O ATOM 1208 CB GLN A 76 5.430 13.214 1.369 1.00 51.52 C ATOM 1209 CG GLN A 76 4.551 12.939 2.589 1.00 15.44 C ATOM 1210 CD GLN A 76 4.120 14.206 3.318 1.00 2.22 C ATOM 1211 OE1 GLN A 76 3.937 15.257 2.714 1.00 1.24 O ATOM 1212 NE2 GLN A 76 3.965 14.124 4.627 1.00 24.54 N ATOM 0 H GLN A 76 3.727 12.018 -0.027 1.00 24.11 H new ATOM 0 HA GLN A 76 6.524 12.255 -0.208 1.00 73.15 H new ATOM 0 HB2 GLN A 76 6.362 13.669 1.705 1.00 51.52 H new ATOM 0 HB3 GLN A 76 4.929 13.945 0.735 1.00 51.52 H new ATOM 0 HG2 GLN A 76 3.664 12.390 2.273 1.00 15.44 H new ATOM 0 HG3 GLN A 76 5.094 12.296 3.282 1.00 15.44 H new ATOM 0 HE21 GLN A 76 4.124 13.237 5.105 1.00 24.54 H new ATOM 0 HE22 GLN A 76 3.687 14.948 5.160 1.00 24.54 H new ATOM 1221 N LYS A 77 5.452 10.045 1.995 1.00 12.14 N ATOM 1222 CA LYS A 77 5.869 8.897 2.808 1.00 30.41 C ATOM 1223 C LYS A 77 6.582 7.832 1.961 1.00 21.41 C ATOM 1224 O LYS A 77 7.410 7.078 2.472 1.00 52.04 O ATOM 1225 CB LYS A 77 4.657 8.294 3.528 1.00 54.30 C ATOM 1226 CG LYS A 77 4.048 9.230 4.569 1.00 2.33 C ATOM 1227 CD LYS A 77 5.042 9.542 5.684 1.00 23.35 C ATOM 1228 CE LYS A 77 4.540 10.647 6.600 1.00 75.43 C ATOM 1229 NZ LYS A 77 5.468 10.882 7.737 1.00 32.35 N ATOM 0 H LYS A 77 4.442 10.167 1.927 1.00 12.14 H new ATOM 0 HA LYS A 77 6.583 9.252 3.551 1.00 30.41 H new ATOM 0 HB2 LYS A 77 3.896 8.037 2.791 1.00 54.30 H new ATOM 0 HB3 LYS A 77 4.957 7.366 4.015 1.00 54.30 H new ATOM 0 HG2 LYS A 77 3.735 10.157 4.089 1.00 2.33 H new ATOM 0 HG3 LYS A 77 3.154 8.773 4.993 1.00 2.33 H new ATOM 0 HD2 LYS A 77 5.225 8.641 6.269 1.00 23.35 H new ATOM 0 HD3 LYS A 77 5.996 9.838 5.247 1.00 23.35 H new ATOM 0 HE2 LYS A 77 4.423 11.568 6.029 1.00 75.43 H new ATOM 0 HE3 LYS A 77 3.554 10.382 6.983 1.00 75.43 H new ATOM 0 HZ1 LYS A 77 5.093 11.642 8.340 1.00 32.35 H new ATOM 0 HZ2 LYS A 77 5.560 10.010 8.296 1.00 32.35 H new ATOM 0 HZ3 LYS A 77 6.402 11.159 7.372 1.00 32.35 H new ATOM 1243 N LEU A 78 6.251 7.775 0.672 1.00 3.02 N ATOM 1244 CA LEU A 78 6.951 6.896 -0.274 1.00 63.40 C ATOM 1245 C LEU A 78 8.257 7.544 -0.771 1.00 0.42 C ATOM 1246 O LEU A 78 9.257 6.862 -1.015 1.00 51.11 O ATOM 1247 CB LEU A 78 6.030 6.567 -1.455 1.00 43.21 C ATOM 1248 CG LEU A 78 4.741 5.817 -1.080 1.00 55.22 C ATOM 1249 CD1 LEU A 78 3.839 5.652 -2.298 1.00 63.31 C ATOM 1250 CD2 LEU A 78 5.064 4.459 -0.456 1.00 11.14 C ATOM 0 H LEU A 78 5.502 8.327 0.255 1.00 3.02 H new ATOM 0 HA LEU A 78 7.214 5.972 0.241 1.00 63.40 H new ATOM 0 HB2 LEU A 78 5.760 7.496 -1.956 1.00 43.21 H new ATOM 0 HB3 LEU A 78 6.586 5.967 -2.175 1.00 43.21 H new ATOM 0 HG LEU A 78 4.206 6.411 -0.339 1.00 55.22 H new ATOM 0 HD11 LEU A 78 2.933 5.119 -2.010 1.00 63.31 H new ATOM 0 HD12 LEU A 78 3.573 6.634 -2.690 1.00 63.31 H new ATOM 0 HD13 LEU A 78 4.365 5.085 -3.066 1.00 63.31 H new ATOM 0 HD21 LEU A 78 4.137 3.947 -0.199 1.00 11.14 H new ATOM 0 HD22 LEU A 78 5.626 3.856 -1.169 1.00 11.14 H new ATOM 0 HD23 LEU A 78 5.660 4.605 0.445 1.00 11.14 H new ATOM 1262 N GLU A 79 8.249 8.869 -0.917 1.00 2.43 N ATOM 1263 CA GLU A 79 9.458 9.616 -1.277 1.00 62.02 C ATOM 1264 C GLU A 79 10.534 9.477 -0.192 1.00 72.51 C ATOM 1265 O GLU A 79 11.712 9.734 -0.438 1.00 13.32 O ATOM 1266 CB GLU A 79 9.131 11.097 -1.507 1.00 75.31 C ATOM 1267 CG GLU A 79 8.238 11.350 -2.717 1.00 71.21 C ATOM 1268 CD GLU A 79 7.948 12.826 -2.935 1.00 45.45 C ATOM 1269 OE1 GLU A 79 8.764 13.508 -3.592 1.00 32.44 O ATOM 1270 OE2 GLU A 79 6.902 13.311 -2.457 1.00 60.40 O ATOM 0 H GLU A 79 7.419 9.449 -0.792 1.00 2.43 H new ATOM 0 HA GLU A 79 9.847 9.194 -2.204 1.00 62.02 H new ATOM 0 HB2 GLU A 79 8.642 11.494 -0.617 1.00 75.31 H new ATOM 0 HB3 GLU A 79 10.062 11.650 -1.633 1.00 75.31 H new ATOM 0 HG2 GLU A 79 8.716 10.943 -3.608 1.00 71.21 H new ATOM 0 HG3 GLU A 79 7.297 10.815 -2.587 1.00 71.21 H new ATOM 1277 N ALA A 80 10.117 9.073 1.008 1.00 4.12 N ATOM 1278 CA ALA A 80 11.052 8.744 2.089 1.00 63.12 C ATOM 1279 C ALA A 80 12.085 7.687 1.649 1.00 61.42 C ATOM 1280 O ALA A 80 13.241 7.722 2.075 1.00 44.04 O ATOM 1281 CB ALA A 80 10.289 8.262 3.317 1.00 73.35 C ATOM 0 H ALA A 80 9.134 8.965 1.259 1.00 4.12 H new ATOM 0 HA ALA A 80 11.599 9.652 2.342 1.00 63.12 H new ATOM 0 HB1 ALA A 80 10.994 8.021 4.112 1.00 73.35 H new ATOM 0 HB2 ALA A 80 9.613 9.047 3.657 1.00 73.35 H new ATOM 0 HB3 ALA A 80 9.713 7.373 3.061 1.00 73.35 H new ATOM 1287 N GLU A 81 11.662 6.737 0.802 1.00 11.21 N ATOM 1288 CA GLU A 81 12.588 5.749 0.214 1.00 20.33 C ATOM 1289 C GLU A 81 13.171 6.259 -1.115 1.00 63.44 C ATOM 1290 O GLU A 81 14.070 5.642 -1.692 1.00 72.01 O ATOM 1291 CB GLU A 81 11.888 4.403 -0.047 1.00 62.14 C ATOM 1292 CG GLU A 81 11.339 3.713 1.196 1.00 74.41 C ATOM 1293 CD GLU A 81 10.154 4.441 1.794 1.00 74.30 C ATOM 1294 OE1 GLU A 81 9.125 4.560 1.105 1.00 35.05 O ATOM 1295 OE2 GLU A 81 10.250 4.894 2.950 1.00 44.04 O ATOM 0 H GLU A 81 10.691 6.629 0.508 1.00 11.21 H new ATOM 0 HA GLU A 81 13.390 5.605 0.938 1.00 20.33 H new ATOM 0 HB2 GLU A 81 11.068 4.566 -0.746 1.00 62.14 H new ATOM 0 HB3 GLU A 81 12.594 3.732 -0.535 1.00 62.14 H new ATOM 0 HG2 GLU A 81 11.044 2.695 0.941 1.00 74.41 H new ATOM 0 HG3 GLU A 81 12.129 3.638 1.943 1.00 74.41 H new ATOM 1302 N GLY A 82 12.648 7.382 -1.595 1.00 60.31 N ATOM 1303 CA GLY A 82 13.031 7.897 -2.904 1.00 33.43 C ATOM 1304 C GLY A 82 12.250 7.247 -4.045 1.00 70.54 C ATOM 1305 O GLY A 82 12.773 7.074 -5.146 1.00 13.34 O ATOM 0 H GLY A 82 11.961 7.951 -1.100 1.00 60.31 H new ATOM 0 HA2 GLY A 82 12.870 8.975 -2.927 1.00 33.43 H new ATOM 0 HA3 GLY A 82 14.097 7.730 -3.058 1.00 33.43 H new ATOM 1309 N ILE A 83 10.995 6.885 -3.780 1.00 1.30 N ATOM 1310 CA ILE A 83 10.144 6.223 -4.778 1.00 52.45 C ATOM 1311 C ILE A 83 9.637 7.204 -5.851 1.00 5.05 C ATOM 1312 O ILE A 83 9.160 8.299 -5.543 1.00 31.23 O ATOM 1313 CB ILE A 83 8.939 5.520 -4.100 1.00 65.03 C ATOM 1314 CG1 ILE A 83 9.438 4.395 -3.177 1.00 44.33 C ATOM 1315 CG2 ILE A 83 7.956 4.973 -5.139 1.00 21.35 C ATOM 1316 CD1 ILE A 83 8.334 3.638 -2.468 1.00 4.44 C ATOM 0 H ILE A 83 10.540 7.038 -2.880 1.00 1.30 H new ATOM 0 HA ILE A 83 10.765 5.476 -5.272 1.00 52.45 H new ATOM 0 HB ILE A 83 8.405 6.258 -3.501 1.00 65.03 H new ATOM 0 HG12 ILE A 83 10.026 3.691 -3.766 1.00 44.33 H new ATOM 0 HG13 ILE A 83 10.107 4.823 -2.431 1.00 44.33 H new ATOM 0 HG21 ILE A 83 7.123 4.486 -4.631 1.00 21.35 H new ATOM 0 HG22 ILE A 83 7.579 5.793 -5.750 1.00 21.35 H new ATOM 0 HG23 ILE A 83 8.465 4.250 -5.776 1.00 21.35 H new ATOM 0 HD11 ILE A 83 8.771 2.863 -1.838 1.00 4.44 H new ATOM 0 HD12 ILE A 83 7.759 4.327 -1.850 1.00 4.44 H new ATOM 0 HD13 ILE A 83 7.676 3.178 -3.206 1.00 4.44 H new ATOM 1328 N GLU A 84 9.758 6.792 -7.109 1.00 51.54 N ATOM 1329 CA GLU A 84 9.283 7.570 -8.259 1.00 30.22 C ATOM 1330 C GLU A 84 7.750 7.520 -8.374 1.00 71.00 C ATOM 1331 O GLU A 84 7.171 6.464 -8.635 1.00 34.22 O ATOM 1332 CB GLU A 84 9.919 7.018 -9.545 1.00 4.21 C ATOM 1333 CG GLU A 84 9.431 7.677 -10.834 1.00 1.23 C ATOM 1334 CD GLU A 84 9.809 9.145 -10.933 1.00 54.12 C ATOM 1335 OE1 GLU A 84 10.982 9.440 -11.246 1.00 34.21 O ATOM 1336 OE2 GLU A 84 8.934 10.008 -10.712 1.00 3.21 O ATOM 0 H GLU A 84 10.190 5.904 -7.366 1.00 51.54 H new ATOM 0 HA GLU A 84 9.576 8.610 -8.115 1.00 30.22 H new ATOM 0 HB2 GLU A 84 11.000 7.137 -9.479 1.00 4.21 H new ATOM 0 HB3 GLU A 84 9.719 5.948 -9.602 1.00 4.21 H new ATOM 0 HG2 GLU A 84 9.847 7.143 -11.688 1.00 1.23 H new ATOM 0 HG3 GLU A 84 8.347 7.582 -10.896 1.00 1.23 H new ATOM 1343 N VAL A 85 7.096 8.665 -8.180 1.00 54.31 N ATOM 1344 CA VAL A 85 5.634 8.752 -8.295 1.00 15.41 C ATOM 1345 C VAL A 85 5.226 9.829 -9.314 1.00 3.45 C ATOM 1346 O VAL A 85 5.550 11.006 -9.149 1.00 2.42 O ATOM 1347 CB VAL A 85 4.963 9.074 -6.930 1.00 33.31 C ATOM 1348 CG1 VAL A 85 3.444 8.935 -7.026 1.00 21.31 C ATOM 1349 CG2 VAL A 85 5.523 8.190 -5.815 1.00 70.13 C ATOM 0 H VAL A 85 7.552 9.546 -7.943 1.00 54.31 H new ATOM 0 HA VAL A 85 5.290 7.775 -8.633 1.00 15.41 H new ATOM 0 HB VAL A 85 5.195 10.109 -6.680 1.00 33.31 H new ATOM 0 HG11 VAL A 85 2.996 9.165 -6.059 1.00 21.31 H new ATOM 0 HG12 VAL A 85 3.062 9.627 -7.777 1.00 21.31 H new ATOM 0 HG13 VAL A 85 3.189 7.914 -7.310 1.00 21.31 H new ATOM 0 HG21 VAL A 85 5.034 8.439 -4.873 1.00 70.13 H new ATOM 0 HG22 VAL A 85 5.339 7.143 -6.054 1.00 70.13 H new ATOM 0 HG23 VAL A 85 6.596 8.357 -5.722 1.00 70.13 H new ATOM 1359 N SER A 86 4.527 9.419 -10.370 1.00 31.51 N ATOM 1360 CA SER A 86 4.028 10.359 -11.386 1.00 53.15 C ATOM 1361 C SER A 86 3.016 11.345 -10.791 1.00 14.41 C ATOM 1362 O SER A 86 2.298 11.012 -9.845 1.00 33.52 O ATOM 1363 CB SER A 86 3.374 9.602 -12.549 1.00 11.14 C ATOM 1364 OG SER A 86 2.761 10.499 -13.465 1.00 73.13 O ATOM 0 H SER A 86 4.290 8.443 -10.550 1.00 31.51 H new ATOM 0 HA SER A 86 4.886 10.921 -11.754 1.00 53.15 H new ATOM 0 HB2 SER A 86 4.125 9.006 -13.067 1.00 11.14 H new ATOM 0 HB3 SER A 86 2.628 8.908 -12.161 1.00 11.14 H new ATOM 0 HG SER A 86 2.353 9.991 -14.197 1.00 73.13 H new ATOM 1370 N GLU A 87 2.951 12.544 -11.383 1.00 74.01 N ATOM 1371 CA GLU A 87 2.093 13.645 -10.901 1.00 34.25 C ATOM 1372 C GLU A 87 0.665 13.185 -10.559 1.00 51.42 C ATOM 1373 O GLU A 87 0.035 13.707 -9.637 1.00 20.42 O ATOM 1374 CB GLU A 87 2.029 14.748 -11.968 1.00 61.34 C ATOM 1375 CG GLU A 87 1.404 14.285 -13.283 1.00 71.12 C ATOM 1376 CD GLU A 87 1.363 15.372 -14.343 1.00 34.35 C ATOM 1377 OE1 GLU A 87 2.335 15.490 -15.116 1.00 72.03 O ATOM 1378 OE2 GLU A 87 0.352 16.099 -14.422 1.00 33.10 O ATOM 0 H GLU A 87 3.492 12.783 -12.214 1.00 74.01 H new ATOM 0 HA GLU A 87 2.541 14.021 -9.981 1.00 34.25 H new ATOM 0 HB2 GLU A 87 1.455 15.588 -11.577 1.00 61.34 H new ATOM 0 HB3 GLU A 87 3.037 15.114 -12.163 1.00 61.34 H new ATOM 0 HG2 GLU A 87 1.968 13.435 -13.666 1.00 71.12 H new ATOM 0 HG3 GLU A 87 0.390 13.935 -13.092 1.00 71.12 H new ATOM 1385 N ILE A 88 0.165 12.204 -11.304 1.00 51.04 N ATOM 1386 CA ILE A 88 -1.187 11.671 -11.100 1.00 53.23 C ATOM 1387 C ILE A 88 -1.222 10.599 -9.991 1.00 21.44 C ATOM 1388 O ILE A 88 -2.157 9.801 -9.915 1.00 71.51 O ATOM 1389 CB ILE A 88 -1.737 11.063 -12.417 1.00 31.43 C ATOM 1390 CG1 ILE A 88 -0.788 9.966 -12.934 1.00 75.40 C ATOM 1391 CG2 ILE A 88 -1.933 12.155 -13.469 1.00 0.11 C ATOM 1392 CD1 ILE A 88 -1.261 9.281 -14.201 1.00 32.14 C ATOM 0 H ILE A 88 0.678 11.755 -12.063 1.00 51.04 H new ATOM 0 HA ILE A 88 -1.815 12.506 -10.789 1.00 53.23 H new ATOM 0 HB ILE A 88 -2.707 10.609 -12.216 1.00 31.43 H new ATOM 0 HG12 ILE A 88 0.192 10.406 -13.117 1.00 75.40 H new ATOM 0 HG13 ILE A 88 -0.660 9.215 -12.154 1.00 75.40 H new ATOM 0 HG21 ILE A 88 -2.319 11.711 -14.387 1.00 0.11 H new ATOM 0 HG22 ILE A 88 -2.642 12.895 -13.098 1.00 0.11 H new ATOM 0 HG23 ILE A 88 -0.978 12.638 -13.674 1.00 0.11 H new ATOM 0 HD11 ILE A 88 -0.536 8.523 -14.497 1.00 32.14 H new ATOM 0 HD12 ILE A 88 -2.227 8.809 -14.021 1.00 32.14 H new ATOM 0 HD13 ILE A 88 -1.361 10.018 -14.998 1.00 32.14 H new ATOM 1404 N GLY A 89 -0.206 10.596 -9.128 1.00 22.43 N ATOM 1405 CA GLY A 89 -0.117 9.601 -8.064 1.00 41.00 C ATOM 1406 C GLY A 89 0.091 8.187 -8.596 1.00 53.30 C ATOM 1407 O GLY A 89 -0.426 7.222 -8.035 1.00 12.10 O ATOM 0 H GLY A 89 0.561 11.268 -9.146 1.00 22.43 H new ATOM 0 HA2 GLY A 89 0.707 9.859 -7.399 1.00 41.00 H new ATOM 0 HA3 GLY A 89 -1.029 9.630 -7.468 1.00 41.00 H new ATOM 1411 N LYS A 90 0.867 8.062 -9.672 1.00 0.45 N ATOM 1412 CA LYS A 90 1.057 6.765 -10.341 1.00 23.44 C ATOM 1413 C LYS A 90 2.441 6.178 -10.013 1.00 13.03 C ATOM 1414 O LYS A 90 3.453 6.869 -10.105 1.00 62.21 O ATOM 1415 CB LYS A 90 0.882 6.935 -11.865 1.00 42.41 C ATOM 1416 CG LYS A 90 0.389 5.685 -12.604 1.00 31.40 C ATOM 1417 CD LYS A 90 1.436 4.574 -12.662 1.00 61.34 C ATOM 1418 CE LYS A 90 0.912 3.339 -13.389 1.00 32.02 C ATOM 1419 NZ LYS A 90 -0.295 2.767 -12.733 1.00 71.53 N ATOM 0 H LYS A 90 1.374 8.836 -10.101 1.00 0.45 H new ATOM 0 HA LYS A 90 0.305 6.066 -9.975 1.00 23.44 H new ATOM 0 HB2 LYS A 90 0.178 7.747 -12.046 1.00 42.41 H new ATOM 0 HB3 LYS A 90 1.837 7.239 -12.294 1.00 42.41 H new ATOM 0 HG2 LYS A 90 -0.506 5.307 -12.110 1.00 31.40 H new ATOM 0 HG3 LYS A 90 0.102 5.959 -13.619 1.00 31.40 H new ATOM 0 HD2 LYS A 90 2.329 4.942 -13.168 1.00 61.34 H new ATOM 0 HD3 LYS A 90 1.733 4.301 -11.649 1.00 61.34 H new ATOM 0 HE2 LYS A 90 0.673 3.601 -14.420 1.00 32.02 H new ATOM 0 HE3 LYS A 90 1.696 2.582 -13.426 1.00 32.02 H new ATOM 0 HZ1 LYS A 90 -0.191 1.735 -12.654 1.00 71.53 H new ATOM 0 HZ2 LYS A 90 -0.402 3.178 -11.784 1.00 71.53 H new ATOM 0 HZ3 LYS A 90 -1.137 2.988 -13.302 1.00 71.53 H new ATOM 1433 N ILE A 91 2.474 4.901 -9.635 1.00 33.44 N ATOM 1434 CA ILE A 91 3.725 4.227 -9.252 1.00 24.23 C ATOM 1435 C ILE A 91 4.080 3.093 -10.231 1.00 15.22 C ATOM 1436 O ILE A 91 3.218 2.298 -10.618 1.00 53.14 O ATOM 1437 CB ILE A 91 3.618 3.651 -7.815 1.00 34.33 C ATOM 1438 CG1 ILE A 91 3.257 4.771 -6.821 1.00 64.25 C ATOM 1439 CG2 ILE A 91 4.924 2.965 -7.407 1.00 62.15 C ATOM 1440 CD1 ILE A 91 3.035 4.286 -5.405 1.00 53.43 C ATOM 0 H ILE A 91 1.647 4.306 -9.584 1.00 33.44 H new ATOM 0 HA ILE A 91 4.517 4.975 -9.286 1.00 24.23 H new ATOM 0 HB ILE A 91 2.826 2.902 -7.799 1.00 34.33 H new ATOM 0 HG12 ILE A 91 4.055 5.513 -6.819 1.00 64.25 H new ATOM 0 HG13 ILE A 91 2.355 5.274 -7.168 1.00 64.25 H new ATOM 0 HG21 ILE A 91 4.826 2.569 -6.396 1.00 62.15 H new ATOM 0 HG22 ILE A 91 5.138 2.149 -8.098 1.00 62.15 H new ATOM 0 HG23 ILE A 91 5.739 3.688 -7.436 1.00 62.15 H new ATOM 0 HD11 ILE A 91 2.785 5.133 -4.765 1.00 53.43 H new ATOM 0 HD12 ILE A 91 2.216 3.566 -5.391 1.00 53.43 H new ATOM 0 HD13 ILE A 91 3.943 3.809 -5.037 1.00 53.43 H new ATOM 1452 N ALA A 92 5.352 3.017 -10.626 1.00 34.33 N ATOM 1453 CA ALA A 92 5.819 1.966 -11.538 1.00 4.01 C ATOM 1454 C ALA A 92 6.058 0.636 -10.799 1.00 61.34 C ATOM 1455 O ALA A 92 7.138 0.396 -10.250 1.00 5.04 O ATOM 1456 CB ALA A 92 7.089 2.413 -12.254 1.00 70.35 C ATOM 0 H ALA A 92 6.078 3.669 -10.330 1.00 34.33 H new ATOM 0 HA ALA A 92 5.036 1.796 -12.277 1.00 4.01 H new ATOM 0 HB1 ALA A 92 7.424 1.624 -12.927 1.00 70.35 H new ATOM 0 HB2 ALA A 92 6.884 3.317 -12.828 1.00 70.35 H new ATOM 0 HB3 ALA A 92 7.868 2.618 -11.519 1.00 70.35 H new ATOM 1462 N LEU A 93 5.044 -0.226 -10.794 1.00 72.22 N ATOM 1463 CA LEU A 93 5.110 -1.512 -10.082 1.00 55.04 C ATOM 1464 C LEU A 93 6.248 -2.413 -10.598 1.00 61.52 C ATOM 1465 O LEU A 93 6.891 -3.104 -9.818 1.00 23.13 O ATOM 1466 CB LEU A 93 3.762 -2.244 -10.186 1.00 60.33 C ATOM 1467 CG LEU A 93 2.579 -1.530 -9.504 1.00 50.50 C ATOM 1468 CD1 LEU A 93 1.283 -2.329 -9.665 1.00 32.10 C ATOM 1469 CD2 LEU A 93 2.883 -1.280 -8.027 1.00 52.42 C ATOM 0 H LEU A 93 4.160 -0.061 -11.276 1.00 72.22 H new ATOM 0 HA LEU A 93 5.326 -1.291 -9.037 1.00 55.04 H new ATOM 0 HB2 LEU A 93 3.523 -2.385 -11.240 1.00 60.33 H new ATOM 0 HB3 LEU A 93 3.870 -3.236 -9.748 1.00 60.33 H new ATOM 0 HG LEU A 93 2.438 -0.567 -9.995 1.00 50.50 H new ATOM 0 HD11 LEU A 93 0.466 -1.800 -9.174 1.00 32.10 H new ATOM 0 HD12 LEU A 93 1.055 -2.444 -10.725 1.00 32.10 H new ATOM 0 HD13 LEU A 93 1.403 -3.313 -9.211 1.00 32.10 H new ATOM 0 HD21 LEU A 93 2.036 -0.775 -7.562 1.00 52.42 H new ATOM 0 HD22 LEU A 93 3.058 -2.232 -7.525 1.00 52.42 H new ATOM 0 HD23 LEU A 93 3.771 -0.655 -7.939 1.00 52.42 H new ATOM 1481 N ARG A 94 6.504 -2.384 -11.907 1.00 12.43 N ATOM 1482 CA ARG A 94 7.541 -3.231 -12.531 1.00 12.21 C ATOM 1483 C ARG A 94 8.898 -3.209 -11.791 1.00 34.21 C ATOM 1484 O ARG A 94 9.685 -4.148 -11.913 1.00 43.23 O ATOM 1485 CB ARG A 94 7.733 -2.830 -13.999 1.00 1.11 C ATOM 1486 CG ARG A 94 7.900 -1.330 -14.218 1.00 14.11 C ATOM 1487 CD ARG A 94 8.032 -0.993 -15.699 1.00 14.34 C ATOM 1488 NE ARG A 94 6.974 -1.613 -16.499 1.00 75.22 N ATOM 1489 CZ ARG A 94 6.059 -0.953 -17.153 1.00 41.12 C ATOM 1490 NH1 ARG A 94 6.028 0.340 -17.127 1.00 25.11 N ATOM 1491 NH2 ARG A 94 5.178 -1.591 -17.850 1.00 62.05 N ATOM 0 H ARG A 94 6.008 -1.782 -12.565 1.00 12.43 H new ATOM 0 HA ARG A 94 7.177 -4.256 -12.463 1.00 12.21 H new ATOM 0 HB2 ARG A 94 8.610 -3.344 -14.393 1.00 1.11 H new ATOM 0 HB3 ARG A 94 6.875 -3.177 -14.575 1.00 1.11 H new ATOM 0 HG2 ARG A 94 7.043 -0.802 -13.799 1.00 14.11 H new ATOM 0 HG3 ARG A 94 8.783 -0.979 -13.684 1.00 14.11 H new ATOM 0 HD2 ARG A 94 7.998 0.089 -15.829 1.00 14.34 H new ATOM 0 HD3 ARG A 94 9.004 -1.327 -16.062 1.00 14.34 H new ATOM 0 HE ARG A 94 6.951 -2.632 -16.548 1.00 75.22 H new ATOM 0 HH11 ARG A 94 6.725 0.856 -16.590 1.00 25.11 H new ATOM 0 HH12 ARG A 94 5.307 0.843 -17.643 1.00 25.11 H new ATOM 0 HH21 ARG A 94 5.199 -2.610 -17.888 1.00 62.05 H new ATOM 0 HH22 ARG A 94 4.462 -1.076 -18.362 1.00 62.05 H new ATOM 1505 N LYS A 95 9.181 -2.144 -11.041 1.00 24.22 N ATOM 1506 CA LYS A 95 10.409 -2.087 -10.228 1.00 2.33 C ATOM 1507 C LYS A 95 10.108 -2.109 -8.718 1.00 51.14 C ATOM 1508 O LYS A 95 10.833 -2.737 -7.944 1.00 11.40 O ATOM 1509 CB LYS A 95 11.252 -0.846 -10.579 1.00 3.50 C ATOM 1510 CG LYS A 95 10.498 0.479 -10.485 1.00 22.01 C ATOM 1511 CD LYS A 95 11.422 1.696 -10.610 1.00 31.12 C ATOM 1512 CE LYS A 95 12.079 1.818 -11.987 1.00 0.35 C ATOM 1513 NZ LYS A 95 13.145 0.806 -12.209 1.00 43.30 N ATOM 0 H LYS A 95 8.589 -1.316 -10.975 1.00 24.22 H new ATOM 0 HA LYS A 95 10.982 -2.983 -10.467 1.00 2.33 H new ATOM 0 HB2 LYS A 95 12.114 -0.807 -9.912 1.00 3.50 H new ATOM 0 HB3 LYS A 95 11.638 -0.959 -11.592 1.00 3.50 H new ATOM 0 HG2 LYS A 95 9.743 0.519 -11.270 1.00 22.01 H new ATOM 0 HG3 LYS A 95 9.970 0.525 -9.532 1.00 22.01 H new ATOM 0 HD2 LYS A 95 10.849 2.601 -10.407 1.00 31.12 H new ATOM 0 HD3 LYS A 95 12.199 1.633 -9.848 1.00 31.12 H new ATOM 0 HE2 LYS A 95 11.317 1.711 -12.759 1.00 0.35 H new ATOM 0 HE3 LYS A 95 12.504 2.816 -12.095 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 13.958 1.255 -12.677 1.00 43.30 H new ATOM 0 HZ2 LYS A 95 13.446 0.413 -11.295 1.00 43.30 H new ATOM 0 HZ3 LYS A 95 12.778 0.041 -12.811 1.00 43.30 H new ATOM 1527 N TYR A 96 9.036 -1.434 -8.301 1.00 24.11 N ATOM 1528 CA TYR A 96 8.691 -1.339 -6.873 1.00 22.42 C ATOM 1529 C TYR A 96 7.819 -2.519 -6.402 1.00 5.44 C ATOM 1530 O TYR A 96 7.365 -2.544 -5.255 1.00 2.25 O ATOM 1531 CB TYR A 96 7.978 -0.008 -6.590 1.00 13.44 C ATOM 1532 CG TYR A 96 8.810 1.209 -6.942 1.00 4.23 C ATOM 1533 CD1 TYR A 96 10.010 1.464 -6.288 1.00 71.22 C ATOM 1534 CD2 TYR A 96 8.400 2.096 -7.931 1.00 32.03 C ATOM 1535 CE1 TYR A 96 10.777 2.566 -6.610 1.00 43.43 C ATOM 1536 CE2 TYR A 96 9.160 3.201 -8.257 1.00 51.55 C ATOM 1537 CZ TYR A 96 10.347 3.429 -7.594 1.00 44.32 C ATOM 1538 OH TYR A 96 11.109 4.527 -7.918 1.00 33.21 O ATOM 0 H TYR A 96 8.392 -0.946 -8.924 1.00 24.11 H new ATOM 0 HA TYR A 96 9.624 -1.381 -6.310 1.00 22.42 H new ATOM 0 HB2 TYR A 96 7.046 0.023 -7.154 1.00 13.44 H new ATOM 0 HB3 TYR A 96 7.713 0.036 -5.534 1.00 13.44 H new ATOM 0 HD1 TYR A 96 10.348 0.789 -5.515 1.00 71.22 H new ATOM 0 HD2 TYR A 96 7.471 1.917 -8.453 1.00 32.03 H new ATOM 0 HE1 TYR A 96 11.708 2.750 -6.094 1.00 43.43 H new ATOM 0 HE2 TYR A 96 8.827 3.882 -9.026 1.00 51.55 H new ATOM 0 HH TYR A 96 11.234 4.563 -8.889 1.00 33.21 H new ATOM 1548 N LYS A 97 7.594 -3.490 -7.287 1.00 41.23 N ATOM 1549 CA LYS A 97 6.811 -4.689 -6.961 1.00 13.34 C ATOM 1550 C LYS A 97 7.439 -5.495 -5.814 1.00 73.20 C ATOM 1551 O LYS A 97 8.665 -5.605 -5.705 1.00 74.14 O ATOM 1552 CB LYS A 97 6.683 -5.585 -8.206 1.00 32.14 C ATOM 1553 CG LYS A 97 8.028 -5.961 -8.833 1.00 64.42 C ATOM 1554 CD LYS A 97 7.868 -6.815 -10.089 1.00 71.20 C ATOM 1555 CE LYS A 97 7.280 -8.187 -9.780 1.00 25.04 C ATOM 1556 NZ LYS A 97 7.113 -9.006 -11.010 1.00 32.20 N ATOM 0 H LYS A 97 7.945 -3.472 -8.244 1.00 41.23 H new ATOM 0 HA LYS A 97 5.826 -4.356 -6.635 1.00 13.34 H new ATOM 0 HB2 LYS A 97 6.151 -6.497 -7.934 1.00 32.14 H new ATOM 0 HB3 LYS A 97 6.075 -5.072 -8.951 1.00 32.14 H new ATOM 0 HG2 LYS A 97 8.576 -5.052 -9.082 1.00 64.42 H new ATOM 0 HG3 LYS A 97 8.627 -6.504 -8.102 1.00 64.42 H new ATOM 0 HD2 LYS A 97 7.224 -6.297 -10.799 1.00 71.20 H new ATOM 0 HD3 LYS A 97 8.839 -6.937 -10.570 1.00 71.20 H new ATOM 0 HE2 LYS A 97 7.930 -8.712 -9.079 1.00 25.04 H new ATOM 0 HE3 LYS A 97 6.314 -8.066 -9.290 1.00 25.04 H new ATOM 0 HZ1 LYS A 97 6.711 -9.932 -10.759 1.00 32.20 H new ATOM 0 HZ2 LYS A 97 6.473 -8.517 -11.668 1.00 32.20 H new ATOM 0 HZ3 LYS A 97 8.038 -9.143 -11.464 1.00 32.20 H new ATOM 1570 N TRP A 98 6.594 -6.045 -4.950 1.00 22.01 N ATOM 1571 CA TRP A 98 7.051 -6.934 -3.885 1.00 55.12 C ATOM 1572 C TRP A 98 6.629 -8.380 -4.162 1.00 42.23 C ATOM 1573 O TRP A 98 5.447 -8.674 -4.340 1.00 45.42 O ATOM 1574 CB TRP A 98 6.509 -6.483 -2.525 1.00 11.43 C ATOM 1575 CG TRP A 98 6.921 -7.385 -1.402 1.00 61.43 C ATOM 1576 CD1 TRP A 98 8.188 -7.799 -1.113 1.00 0.12 C ATOM 1577 CD2 TRP A 98 6.066 -7.992 -0.425 1.00 3.23 C ATOM 1578 NE1 TRP A 98 8.177 -8.614 -0.012 1.00 71.53 N ATOM 1579 CE2 TRP A 98 6.886 -8.750 0.430 1.00 12.25 C ATOM 1580 CE3 TRP A 98 4.687 -7.966 -0.188 1.00 15.53 C ATOM 1581 CZ2 TRP A 98 6.377 -9.474 1.505 1.00 42.01 C ATOM 1582 CZ3 TRP A 98 4.182 -8.686 0.879 1.00 33.54 C ATOM 1583 CH2 TRP A 98 5.026 -9.430 1.715 1.00 65.31 C ATOM 0 H TRP A 98 5.586 -5.891 -4.965 1.00 22.01 H new ATOM 0 HA TRP A 98 8.140 -6.887 -3.859 1.00 55.12 H new ATOM 0 HB2 TRP A 98 6.859 -5.472 -2.318 1.00 11.43 H new ATOM 0 HB3 TRP A 98 5.421 -6.441 -2.570 1.00 11.43 H new ATOM 0 HD1 TRP A 98 9.071 -7.524 -1.671 1.00 0.12 H new ATOM 0 HE1 TRP A 98 8.997 -9.049 0.411 1.00 71.53 H new ATOM 0 HE3 TRP A 98 4.030 -7.394 -0.826 1.00 15.53 H new ATOM 0 HZ2 TRP A 98 7.025 -10.049 2.149 1.00 42.01 H new ATOM 0 HZ3 TRP A 98 3.119 -8.675 1.072 1.00 33.54 H new ATOM 0 HH2 TRP A 98 4.601 -9.980 2.542 1.00 65.31 H new ATOM 1594 N GLN A 99 7.608 -9.276 -4.208 1.00 40.11 N ATOM 1595 CA GLN A 99 7.356 -10.704 -4.390 1.00 62.24 C ATOM 1596 C GLN A 99 7.387 -11.451 -3.043 1.00 73.15 C ATOM 1597 O GLN A 99 8.456 -11.805 -2.543 1.00 3.22 O ATOM 1598 CB GLN A 99 8.397 -11.304 -5.347 1.00 20.51 C ATOM 1599 CG GLN A 99 8.236 -10.867 -6.800 1.00 12.23 C ATOM 1600 CD GLN A 99 9.319 -11.432 -7.706 1.00 12.32 C ATOM 1601 OE1 GLN A 99 9.195 -12.529 -8.242 1.00 50.35 O ATOM 1602 NE2 GLN A 99 10.383 -10.683 -7.893 1.00 14.14 N ATOM 0 H GLN A 99 8.596 -9.036 -4.121 1.00 40.11 H new ATOM 0 HA GLN A 99 6.361 -10.820 -4.820 1.00 62.24 H new ATOM 0 HB2 GLN A 99 9.393 -11.025 -5.004 1.00 20.51 H new ATOM 0 HB3 GLN A 99 8.336 -12.391 -5.297 1.00 20.51 H new ATOM 0 HG2 GLN A 99 7.260 -11.186 -7.165 1.00 12.23 H new ATOM 0 HG3 GLN A 99 8.256 -9.778 -6.852 1.00 12.23 H new ATOM 0 HE21 GLN A 99 10.455 -9.776 -7.433 1.00 14.14 H new ATOM 0 HE22 GLN A 99 11.136 -11.009 -8.499 1.00 14.14 H new ATOM 1611 N PRO A 100 6.211 -11.703 -2.434 1.00 3.12 N ATOM 1612 CA PRO A 100 6.118 -12.457 -1.167 1.00 63.42 C ATOM 1613 C PRO A 100 6.539 -13.927 -1.329 1.00 14.04 C ATOM 1614 O PRO A 100 6.684 -14.661 -0.352 1.00 63.23 O ATOM 1615 CB PRO A 100 4.629 -12.355 -0.806 1.00 54.53 C ATOM 1616 CG PRO A 100 3.943 -12.123 -2.111 1.00 52.10 C ATOM 1617 CD PRO A 100 4.885 -11.270 -2.915 1.00 22.20 C ATOM 0 HA PRO A 100 6.784 -12.058 -0.402 1.00 63.42 H new ATOM 0 HB2 PRO A 100 4.273 -13.267 -0.327 1.00 54.53 H new ATOM 0 HB3 PRO A 100 4.445 -11.537 -0.110 1.00 54.53 H new ATOM 0 HG2 PRO A 100 3.737 -13.065 -2.619 1.00 52.10 H new ATOM 0 HG3 PRO A 100 2.986 -11.622 -1.967 1.00 52.10 H new ATOM 0 HD2 PRO A 100 4.769 -11.438 -3.986 1.00 22.20 H new ATOM 0 HD3 PRO A 100 4.718 -10.207 -2.739 1.00 22.20 H new