USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc=0.000311 USER MOD Single : A 31 HIS : no HD1:sc=-0.00646 X(o=-0.0065,f=-0.15) USER MOD Single : A 33 MET CE :methyl -123:sc= 0 (180deg=-0.688) USER MOD Single : A 34 THR OG1 : rot 85:sc= 1.16 USER MOD Single : A 35 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.068) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 48 MET CE :methyl 144:sc= 0 (180deg=-2.35!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.791 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 12.069 -9.940 -3.597 1.00 74.33 N ATOM 68 CA GLU A 6 12.724 -11.056 -4.269 1.00 64.01 C ATOM 69 C GLU A 6 13.092 -12.151 -3.272 1.00 72.42 C ATOM 70 O GLU A 6 14.178 -12.726 -3.338 1.00 40.45 O ATOM 71 CB GLU A 6 13.980 -10.574 -4.999 1.00 53.13 C ATOM 72 CG GLU A 6 15.017 -9.950 -4.080 1.00 74.14 C ATOM 73 CD GLU A 6 16.017 -9.090 -4.828 1.00 71.22 C ATOM 74 OE1 GLU A 6 15.597 -8.344 -5.737 1.00 75.30 O ATOM 75 OE2 GLU A 6 17.221 -9.164 -4.504 1.00 12.42 O ATOM 0 HA GLU A 6 12.025 -11.470 -4.996 1.00 64.01 H new ATOM 0 HB2 GLU A 6 14.431 -11.417 -5.523 1.00 53.13 H new ATOM 0 HB3 GLU A 6 13.692 -9.845 -5.756 1.00 53.13 H new ATOM 0 HG2 GLU A 6 14.512 -9.343 -3.328 1.00 74.14 H new ATOM 0 HG3 GLU A 6 15.548 -10.740 -3.549 1.00 74.14 H new ATOM 82 N GLU A 7 12.178 -12.434 -2.349 1.00 72.22 N ATOM 83 CA GLU A 7 12.406 -13.459 -1.338 1.00 24.43 C ATOM 84 C GLU A 7 11.854 -14.807 -1.794 1.00 52.30 C ATOM 85 O GLU A 7 12.586 -15.792 -1.878 1.00 73.32 O ATOM 86 CB GLU A 7 11.759 -13.053 -0.012 1.00 41.12 C ATOM 87 CG GLU A 7 12.110 -11.642 0.429 1.00 0.10 C ATOM 88 CD GLU A 7 11.678 -11.352 1.853 1.00 0.42 C ATOM 89 OE1 GLU A 7 11.505 -12.316 2.628 1.00 11.42 O ATOM 90 OE2 GLU A 7 11.513 -10.161 2.193 1.00 71.41 O ATOM 0 H GLU A 7 11.273 -11.968 -2.281 1.00 72.22 H new ATOM 0 HA GLU A 7 13.482 -13.557 -1.194 1.00 24.43 H new ATOM 0 HB2 GLU A 7 10.676 -13.137 -0.105 1.00 41.12 H new ATOM 0 HB3 GLU A 7 12.068 -13.754 0.763 1.00 41.12 H new ATOM 0 HG2 GLU A 7 13.187 -11.496 0.343 1.00 0.10 H new ATOM 0 HG3 GLU A 7 11.636 -10.927 -0.243 1.00 0.10 H new ATOM 97 N GLU A 8 10.557 -14.840 -2.087 1.00 4.35 N ATOM 98 CA GLU A 8 9.907 -16.066 -2.533 1.00 13.13 C ATOM 99 C GLU A 8 10.175 -16.316 -4.014 1.00 21.41 C ATOM 100 O GLU A 8 9.736 -17.321 -4.574 1.00 31.54 O ATOM 101 CB GLU A 8 8.399 -15.990 -2.282 1.00 41.10 C ATOM 102 CG GLU A 8 7.752 -17.345 -2.050 1.00 14.31 C ATOM 103 CD GLU A 8 6.624 -17.627 -3.024 1.00 23.00 C ATOM 104 OE1 GLU A 8 5.536 -17.038 -2.859 1.00 74.32 O ATOM 105 OE2 GLU A 8 6.832 -18.437 -3.952 1.00 34.23 O ATOM 0 H GLU A 8 9.937 -14.032 -2.023 1.00 4.35 H new ATOM 0 HA GLU A 8 10.322 -16.896 -1.961 1.00 13.13 H new ATOM 0 HB2 GLU A 8 8.215 -15.356 -1.415 1.00 41.10 H new ATOM 0 HB3 GLU A 8 7.921 -15.510 -3.136 1.00 41.10 H new ATOM 0 HG2 GLU A 8 8.508 -18.125 -2.140 1.00 14.31 H new ATOM 0 HG3 GLU A 8 7.367 -17.390 -1.031 1.00 14.31 H new ATOM 112 N ILE A 9 10.898 -15.395 -4.642 1.00 60.40 N ATOM 113 CA ILE A 9 11.225 -15.516 -6.057 1.00 63.22 C ATOM 114 C ILE A 9 12.535 -16.272 -6.256 1.00 40.40 C ATOM 115 O ILE A 9 12.611 -17.202 -7.059 1.00 2.22 O ATOM 116 CB ILE A 9 11.335 -14.135 -6.730 1.00 3.04 C ATOM 117 CG1 ILE A 9 10.010 -13.380 -6.613 1.00 54.11 C ATOM 118 CG2 ILE A 9 11.738 -14.287 -8.189 1.00 2.33 C ATOM 119 CD1 ILE A 9 10.081 -11.953 -7.110 1.00 3.01 C ATOM 0 H ILE A 9 11.268 -14.557 -4.193 1.00 60.40 H new ATOM 0 HA ILE A 9 10.412 -16.074 -6.522 1.00 63.22 H new ATOM 0 HB ILE A 9 12.106 -13.558 -6.219 1.00 3.04 H new ATOM 0 HG12 ILE A 9 9.246 -13.915 -7.177 1.00 54.11 H new ATOM 0 HG13 ILE A 9 9.694 -13.377 -5.570 1.00 54.11 H new ATOM 0 HG21 ILE A 9 11.811 -13.302 -8.651 1.00 2.33 H new ATOM 0 HG22 ILE A 9 12.704 -14.789 -8.249 1.00 2.33 H new ATOM 0 HG23 ILE A 9 10.988 -14.879 -8.714 1.00 2.33 H new ATOM 0 HD11 ILE A 9 9.106 -11.479 -6.997 1.00 3.01 H new ATOM 0 HD12 ILE A 9 10.822 -11.402 -6.530 1.00 3.01 H new ATOM 0 HD13 ILE A 9 10.367 -11.948 -8.162 1.00 3.01 H new ATOM 131 N ARG A 10 13.563 -15.866 -5.518 1.00 64.23 N ATOM 132 CA ARG A 10 14.870 -16.505 -5.613 1.00 25.11 C ATOM 133 C ARG A 10 14.779 -17.986 -5.255 1.00 1.41 C ATOM 134 O ARG A 10 15.480 -18.817 -5.831 1.00 0.04 O ATOM 135 CB ARG A 10 15.871 -15.807 -4.690 1.00 30.02 C ATOM 136 CG ARG A 10 15.569 -15.993 -3.212 1.00 32.41 C ATOM 137 CD ARG A 10 15.995 -14.781 -2.399 1.00 51.00 C ATOM 138 NE ARG A 10 17.102 -15.088 -1.497 1.00 60.04 N ATOM 139 CZ ARG A 10 17.475 -14.298 -0.497 1.00 25.44 C ATOM 140 NH1 ARG A 10 16.833 -13.161 -0.270 1.00 43.33 N ATOM 141 NH2 ARG A 10 18.493 -14.647 0.281 1.00 50.43 N ATOM 0 H ARG A 10 13.516 -15.098 -4.848 1.00 64.23 H new ATOM 0 HA ARG A 10 15.215 -16.418 -6.643 1.00 25.11 H new ATOM 0 HB2 ARG A 10 16.871 -16.187 -4.898 1.00 30.02 H new ATOM 0 HB3 ARG A 10 15.881 -14.741 -4.919 1.00 30.02 H new ATOM 0 HG2 ARG A 10 14.501 -16.166 -3.077 1.00 32.41 H new ATOM 0 HG3 ARG A 10 16.085 -16.879 -2.843 1.00 32.41 H new ATOM 0 HD2 ARG A 10 16.290 -13.977 -3.074 1.00 51.00 H new ATOM 0 HD3 ARG A 10 15.146 -14.416 -1.820 1.00 51.00 H new ATOM 0 HE ARG A 10 17.617 -15.956 -1.643 1.00 60.04 H new ATOM 0 HH11 ARG A 10 16.050 -12.890 -0.864 1.00 43.33 H new ATOM 0 HH12 ARG A 10 17.122 -12.557 0.499 1.00 43.33 H new ATOM 0 HH21 ARG A 10 18.989 -15.522 0.110 1.00 50.43 H new ATOM 0 HH22 ARG A 10 18.779 -14.040 1.049 1.00 50.43 H new ATOM 155 N GLU A 11 13.911 -18.306 -4.301 1.00 12.05 N ATOM 156 CA GLU A 11 13.730 -19.686 -3.866 1.00 14.15 C ATOM 157 C GLU A 11 12.833 -20.449 -4.836 1.00 70.12 C ATOM 158 O GLU A 11 12.902 -21.674 -4.929 1.00 32.22 O ATOM 159 CB GLU A 11 13.128 -19.726 -2.459 1.00 51.13 C ATOM 160 CG GLU A 11 12.633 -21.102 -2.048 1.00 22.42 C ATOM 161 CD GLU A 11 12.876 -21.395 -0.580 1.00 4.00 C ATOM 162 OE1 GLU A 11 14.039 -21.666 -0.213 1.00 13.20 O ATOM 163 OE2 GLU A 11 11.903 -21.353 0.202 1.00 43.42 O ATOM 0 H GLU A 11 13.323 -17.629 -3.815 1.00 12.05 H new ATOM 0 HA GLU A 11 14.709 -20.166 -3.849 1.00 14.15 H new ATOM 0 HB2 GLU A 11 13.878 -19.390 -1.743 1.00 51.13 H new ATOM 0 HB3 GLU A 11 12.299 -19.020 -2.408 1.00 51.13 H new ATOM 0 HG2 GLU A 11 11.566 -21.178 -2.258 1.00 22.42 H new ATOM 0 HG3 GLU A 11 13.132 -21.859 -2.653 1.00 22.42 H new ATOM 170 N ALA A 12 11.992 -19.715 -5.557 1.00 72.03 N ATOM 171 CA ALA A 12 11.083 -20.321 -6.522 1.00 35.33 C ATOM 172 C ALA A 12 11.840 -20.837 -7.741 1.00 34.32 C ATOM 173 O ALA A 12 11.418 -21.798 -8.385 1.00 20.10 O ATOM 174 CB ALA A 12 10.017 -19.320 -6.944 1.00 63.43 C ATOM 0 H ALA A 12 11.921 -18.700 -5.491 1.00 72.03 H new ATOM 0 HA ALA A 12 10.598 -21.171 -6.042 1.00 35.33 H new ATOM 0 HB1 ALA A 12 9.345 -19.786 -7.665 1.00 63.43 H new ATOM 0 HB2 ALA A 12 9.448 -19.004 -6.070 1.00 63.43 H new ATOM 0 HB3 ALA A 12 10.493 -18.452 -7.400 1.00 63.43 H new ATOM 180 N PHE A 13 12.959 -20.193 -8.053 1.00 1.23 N ATOM 181 CA PHE A 13 13.774 -20.586 -9.196 1.00 43.22 C ATOM 182 C PHE A 13 14.738 -21.707 -8.818 1.00 34.04 C ATOM 183 O PHE A 13 15.241 -22.425 -9.682 1.00 5.05 O ATOM 184 CB PHE A 13 14.557 -19.384 -9.729 1.00 11.23 C ATOM 185 CG PHE A 13 13.969 -18.792 -10.978 1.00 4.42 C ATOM 186 CD1 PHE A 13 12.777 -18.088 -10.932 1.00 13.11 C ATOM 187 CD2 PHE A 13 14.610 -18.938 -12.198 1.00 30.05 C ATOM 188 CE1 PHE A 13 12.234 -17.543 -12.080 1.00 14.31 C ATOM 189 CE2 PHE A 13 14.072 -18.395 -13.349 1.00 12.41 C ATOM 190 CZ PHE A 13 12.882 -17.695 -13.290 1.00 25.14 C ATOM 0 H PHE A 13 13.322 -19.396 -7.530 1.00 1.23 H new ATOM 0 HA PHE A 13 13.107 -20.952 -9.976 1.00 43.22 H new ATOM 0 HB2 PHE A 13 14.598 -18.616 -8.957 1.00 11.23 H new ATOM 0 HB3 PHE A 13 15.584 -19.689 -9.930 1.00 11.23 H new ATOM 0 HD1 PHE A 13 12.266 -17.964 -9.989 1.00 13.11 H new ATOM 0 HD2 PHE A 13 15.541 -19.483 -12.250 1.00 30.05 H new ATOM 0 HE1 PHE A 13 11.303 -16.998 -12.031 1.00 14.31 H new ATOM 0 HE2 PHE A 13 14.581 -18.518 -14.294 1.00 12.41 H new ATOM 0 HZ PHE A 13 12.460 -17.268 -14.188 1.00 25.14 H new ATOM 200 N ARG A 14 14.989 -21.850 -7.520 1.00 71.35 N ATOM 201 CA ARG A 14 15.893 -22.882 -7.027 1.00 32.12 C ATOM 202 C ARG A 14 15.184 -24.231 -6.942 1.00 50.31 C ATOM 203 O ARG A 14 15.780 -25.275 -7.205 1.00 24.12 O ATOM 204 CB ARG A 14 16.441 -22.495 -5.652 1.00 50.21 C ATOM 205 CG ARG A 14 17.845 -23.014 -5.388 1.00 12.02 C ATOM 206 CD ARG A 14 17.893 -23.879 -4.138 1.00 73.54 C ATOM 207 NE ARG A 14 19.112 -23.658 -3.365 1.00 52.15 N ATOM 208 CZ ARG A 14 19.305 -24.141 -2.143 1.00 63.44 C ATOM 209 NH1 ARG A 14 18.365 -24.870 -1.559 1.00 34.14 N ATOM 210 NH2 ARG A 14 20.442 -23.897 -1.504 1.00 51.30 N ATOM 0 H ARG A 14 14.579 -21.265 -6.792 1.00 71.35 H new ATOM 0 HA ARG A 14 16.721 -22.970 -7.730 1.00 32.12 H new ATOM 0 HB2 ARG A 14 16.442 -21.409 -5.563 1.00 50.21 H new ATOM 0 HB3 ARG A 14 15.771 -22.877 -4.882 1.00 50.21 H new ATOM 0 HG2 ARG A 14 18.187 -23.593 -6.246 1.00 12.02 H new ATOM 0 HG3 ARG A 14 18.530 -22.173 -5.277 1.00 12.02 H new ATOM 0 HD2 ARG A 14 17.025 -23.664 -3.515 1.00 73.54 H new ATOM 0 HD3 ARG A 14 17.829 -24.930 -4.422 1.00 73.54 H new ATOM 0 HE ARG A 14 19.856 -23.102 -3.787 1.00 52.15 H new ATOM 0 HH11 ARG A 14 17.491 -25.061 -2.048 1.00 34.14 H new ATOM 0 HH12 ARG A 14 18.516 -25.240 -0.620 1.00 34.14 H new ATOM 0 HH21 ARG A 14 21.169 -23.338 -1.951 1.00 51.30 H new ATOM 0 HH22 ARG A 14 20.589 -24.268 -0.565 1.00 51.30 H new ATOM 224 N VAL A 15 13.907 -24.200 -6.573 1.00 24.32 N ATOM 225 CA VAL A 15 13.117 -25.420 -6.454 1.00 13.53 C ATOM 226 C VAL A 15 13.095 -26.191 -7.768 1.00 63.24 C ATOM 227 O VAL A 15 12.867 -27.401 -7.787 1.00 51.20 O ATOM 228 CB VAL A 15 11.669 -25.110 -6.029 1.00 32.30 C ATOM 229 CG1 VAL A 15 10.851 -26.390 -5.948 1.00 20.30 C ATOM 230 CG2 VAL A 15 11.650 -24.371 -4.700 1.00 24.04 C ATOM 0 H VAL A 15 13.398 -23.344 -6.352 1.00 24.32 H new ATOM 0 HA VAL A 15 13.591 -26.031 -5.686 1.00 13.53 H new ATOM 0 HB VAL A 15 11.218 -24.465 -6.783 1.00 32.30 H new ATOM 0 HG11 VAL A 15 9.831 -26.152 -5.646 1.00 20.30 H new ATOM 0 HG12 VAL A 15 10.837 -26.875 -6.924 1.00 20.30 H new ATOM 0 HG13 VAL A 15 11.298 -27.062 -5.215 1.00 20.30 H new ATOM 0 HG21 VAL A 15 10.619 -24.160 -4.416 1.00 24.04 H new ATOM 0 HG22 VAL A 15 12.119 -24.988 -3.934 1.00 24.04 H new ATOM 0 HG23 VAL A 15 12.198 -23.434 -4.797 1.00 24.04 H new ATOM 240 N PHE A 16 13.335 -25.484 -8.867 1.00 42.44 N ATOM 241 CA PHE A 16 13.343 -26.102 -10.188 1.00 42.21 C ATOM 242 C PHE A 16 14.710 -26.706 -10.498 1.00 11.33 C ATOM 243 O PHE A 16 14.807 -27.831 -10.989 1.00 14.44 O ATOM 244 CB PHE A 16 12.973 -25.073 -11.258 1.00 45.24 C ATOM 245 CG PHE A 16 11.513 -24.721 -11.273 1.00 23.20 C ATOM 246 CD1 PHE A 16 10.552 -25.704 -11.451 1.00 4.52 C ATOM 247 CD2 PHE A 16 11.101 -23.409 -11.108 1.00 45.43 C ATOM 248 CE1 PHE A 16 9.208 -25.382 -11.465 1.00 63.54 C ATOM 249 CE2 PHE A 16 9.759 -23.082 -11.122 1.00 14.55 C ATOM 250 CZ PHE A 16 8.811 -24.070 -11.299 1.00 72.13 C ATOM 0 H PHE A 16 13.527 -24.482 -8.869 1.00 42.44 H new ATOM 0 HA PHE A 16 12.603 -26.902 -10.192 1.00 42.21 H new ATOM 0 HB2 PHE A 16 13.555 -24.166 -11.095 1.00 45.24 H new ATOM 0 HB3 PHE A 16 13.255 -25.461 -12.237 1.00 45.24 H new ATOM 0 HD1 PHE A 16 10.857 -26.732 -11.580 1.00 4.52 H new ATOM 0 HD2 PHE A 16 11.838 -22.632 -10.967 1.00 45.43 H new ATOM 0 HE1 PHE A 16 8.468 -26.156 -11.606 1.00 63.54 H new ATOM 0 HE2 PHE A 16 9.452 -22.055 -10.995 1.00 14.55 H new ATOM 0 HZ PHE A 16 7.761 -23.817 -11.308 1.00 72.13 H new ATOM 260 N ASP A 17 15.763 -25.950 -10.208 1.00 22.04 N ATOM 261 CA ASP A 17 17.125 -26.410 -10.454 1.00 40.41 C ATOM 262 C ASP A 17 17.586 -27.358 -9.352 1.00 4.13 C ATOM 263 O ASP A 17 17.330 -27.125 -8.170 1.00 63.31 O ATOM 264 CB ASP A 17 18.079 -25.218 -10.551 1.00 14.32 C ATOM 265 CG ASP A 17 19.398 -25.583 -11.202 1.00 71.22 C ATOM 266 OD1 ASP A 17 19.603 -26.780 -11.494 1.00 45.45 O ATOM 267 OD2 ASP A 17 20.225 -24.673 -11.419 1.00 43.10 O ATOM 0 H ASP A 17 15.700 -25.016 -9.802 1.00 22.04 H new ATOM 0 HA ASP A 17 17.134 -26.951 -11.400 1.00 40.41 H new ATOM 0 HB2 ASP A 17 17.603 -24.421 -11.123 1.00 14.32 H new ATOM 0 HB3 ASP A 17 18.267 -24.825 -9.552 1.00 14.32 H new ATOM 272 N LYS A 18 18.267 -28.429 -9.746 1.00 43.50 N ATOM 273 CA LYS A 18 18.765 -29.413 -8.793 1.00 22.13 C ATOM 274 C LYS A 18 20.117 -28.989 -8.228 1.00 41.42 C ATOM 275 O LYS A 18 21.158 -29.225 -8.841 1.00 63.03 O ATOM 276 CB LYS A 18 18.888 -30.784 -9.461 1.00 75.23 C ATOM 277 CG LYS A 18 17.596 -31.268 -10.098 1.00 42.33 C ATOM 278 CD LYS A 18 16.978 -32.409 -9.308 1.00 53.32 C ATOM 279 CE LYS A 18 15.735 -32.953 -9.996 1.00 21.43 C ATOM 280 NZ LYS A 18 15.142 -34.095 -9.246 1.00 70.30 N ATOM 0 H LYS A 18 18.487 -28.637 -10.720 1.00 43.50 H new ATOM 0 HA LYS A 18 18.052 -29.478 -7.971 1.00 22.13 H new ATOM 0 HB2 LYS A 18 19.665 -30.739 -10.224 1.00 75.23 H new ATOM 0 HB3 LYS A 18 19.213 -31.513 -8.718 1.00 75.23 H new ATOM 0 HG2 LYS A 18 16.888 -30.442 -10.160 1.00 42.33 H new ATOM 0 HG3 LYS A 18 17.793 -31.596 -11.119 1.00 42.33 H new ATOM 0 HD2 LYS A 18 17.709 -33.209 -9.189 1.00 53.32 H new ATOM 0 HD3 LYS A 18 16.719 -32.062 -8.308 1.00 53.32 H new ATOM 0 HE2 LYS A 18 14.995 -32.158 -10.092 1.00 21.43 H new ATOM 0 HE3 LYS A 18 15.990 -33.275 -11.006 1.00 21.43 H new ATOM 0 HZ1 LYS A 18 14.297 -34.438 -9.746 1.00 70.30 H new ATOM 0 HZ2 LYS A 18 15.839 -34.864 -9.176 1.00 70.30 H new ATOM 0 HZ3 LYS A 18 14.875 -33.782 -8.291 1.00 70.30 H new ATOM 327 N GLY A 22 20.197 -21.125 -9.878 1.00 64.54 N ATOM 328 CA GLY A 22 18.865 -20.799 -10.352 1.00 41.21 C ATOM 329 C GLY A 22 18.776 -20.780 -11.865 1.00 60.32 C ATOM 330 O GLY A 22 18.274 -19.822 -12.453 1.00 14.03 O ATOM 0 HA2 GLY A 22 18.155 -21.526 -9.959 1.00 41.21 H new ATOM 0 HA3 GLY A 22 18.572 -19.824 -9.962 1.00 41.21 H new ATOM 334 N TYR A 23 19.266 -21.840 -12.498 1.00 30.41 N ATOM 335 CA TYR A 23 19.243 -21.940 -13.952 1.00 62.54 C ATOM 336 C TYR A 23 18.112 -22.852 -14.418 1.00 60.02 C ATOM 337 O TYR A 23 18.046 -24.022 -14.039 1.00 3.45 O ATOM 338 CB TYR A 23 20.583 -22.467 -14.469 1.00 41.03 C ATOM 339 CG TYR A 23 21.101 -21.721 -15.678 1.00 71.34 C ATOM 340 CD1 TYR A 23 21.239 -20.339 -15.660 1.00 54.14 C ATOM 341 CD2 TYR A 23 21.453 -22.400 -16.839 1.00 5.42 C ATOM 342 CE1 TYR A 23 21.711 -19.654 -16.763 1.00 55.41 C ATOM 343 CE2 TYR A 23 21.928 -21.723 -17.946 1.00 13.32 C ATOM 344 CZ TYR A 23 22.054 -20.350 -17.903 1.00 51.12 C ATOM 345 OH TYR A 23 22.526 -19.671 -19.003 1.00 72.03 O ATOM 0 H TYR A 23 19.684 -22.642 -12.027 1.00 30.41 H new ATOM 0 HA TYR A 23 19.071 -20.942 -14.356 1.00 62.54 H new ATOM 0 HB2 TYR A 23 21.321 -22.404 -13.670 1.00 41.03 H new ATOM 0 HB3 TYR A 23 20.476 -23.522 -14.722 1.00 41.03 H new ATOM 0 HD1 TYR A 23 20.973 -19.791 -14.769 1.00 54.14 H new ATOM 0 HD2 TYR A 23 21.354 -23.475 -16.876 1.00 5.42 H new ATOM 0 HE1 TYR A 23 21.811 -18.579 -16.733 1.00 55.41 H new ATOM 0 HE2 TYR A 23 22.199 -22.266 -18.840 1.00 13.32 H new ATOM 0 HH TYR A 23 22.723 -20.308 -19.721 1.00 72.03 H new ATOM 355 N ILE A 24 17.224 -22.308 -15.243 1.00 42.33 N ATOM 356 CA ILE A 24 16.097 -23.071 -15.763 1.00 35.20 C ATOM 357 C ILE A 24 15.953 -22.884 -17.269 1.00 41.45 C ATOM 358 O ILE A 24 16.709 -22.133 -17.887 1.00 13.04 O ATOM 359 CB ILE A 24 14.778 -22.665 -15.079 1.00 1.55 C ATOM 360 CG1 ILE A 24 14.649 -21.140 -15.035 1.00 65.55 C ATOM 361 CG2 ILE A 24 14.708 -23.247 -13.675 1.00 23.30 C ATOM 362 CD1 ILE A 24 13.312 -20.633 -15.527 1.00 11.12 C ATOM 0 H ILE A 24 17.264 -21.341 -15.566 1.00 42.33 H new ATOM 0 HA ILE A 24 16.301 -24.120 -15.548 1.00 35.20 H new ATOM 0 HB ILE A 24 13.947 -23.065 -15.660 1.00 1.55 H new ATOM 0 HG12 ILE A 24 14.803 -20.800 -14.011 1.00 65.55 H new ATOM 0 HG13 ILE A 24 15.441 -20.699 -15.640 1.00 65.55 H new ATOM 0 HG21 ILE A 24 13.770 -22.951 -13.205 1.00 23.30 H new ATOM 0 HG22 ILE A 24 14.760 -24.334 -13.729 1.00 23.30 H new ATOM 0 HG23 ILE A 24 15.544 -22.873 -13.084 1.00 23.30 H new ATOM 0 HD11 ILE A 24 13.291 -19.545 -15.468 1.00 11.12 H new ATOM 0 HD12 ILE A 24 13.164 -20.943 -16.561 1.00 11.12 H new ATOM 0 HD13 ILE A 24 12.516 -21.045 -14.907 1.00 11.12 H new ATOM 374 N SER A 25 14.977 -23.570 -17.855 1.00 41.35 N ATOM 375 CA SER A 25 14.735 -23.481 -19.291 1.00 2.53 C ATOM 376 C SER A 25 13.606 -22.500 -19.591 1.00 75.13 C ATOM 377 O SER A 25 12.902 -22.051 -18.687 1.00 41.41 O ATOM 378 CB SER A 25 14.393 -24.859 -19.858 1.00 64.54 C ATOM 379 OG SER A 25 13.360 -25.477 -19.111 1.00 54.31 O ATOM 0 H SER A 25 14.341 -24.194 -17.358 1.00 41.35 H new ATOM 0 HA SER A 25 15.646 -23.117 -19.767 1.00 2.53 H new ATOM 0 HB2 SER A 25 14.084 -24.761 -20.899 1.00 64.54 H new ATOM 0 HB3 SER A 25 15.281 -25.491 -19.847 1.00 64.54 H new ATOM 0 HG SER A 25 13.159 -26.356 -19.495 1.00 54.31 H new ATOM 385 N ALA A 26 13.439 -22.173 -20.869 1.00 35.15 N ATOM 386 CA ALA A 26 12.394 -21.248 -21.290 1.00 0.10 C ATOM 387 C ALA A 26 11.048 -21.626 -20.682 1.00 13.13 C ATOM 388 O ALA A 26 10.314 -20.768 -20.192 1.00 42.53 O ATOM 389 CB ALA A 26 12.299 -21.215 -22.808 1.00 71.31 C ATOM 0 H ALA A 26 14.014 -22.535 -21.630 1.00 35.15 H new ATOM 0 HA ALA A 26 12.658 -20.253 -20.931 1.00 0.10 H new ATOM 0 HB1 ALA A 26 11.515 -20.520 -23.108 1.00 71.31 H new ATOM 0 HB2 ALA A 26 13.252 -20.889 -23.225 1.00 71.31 H new ATOM 0 HB3 ALA A 26 12.062 -22.212 -23.180 1.00 71.31 H new ATOM 395 N ALA A 27 10.729 -22.916 -20.717 1.00 1.34 N ATOM 396 CA ALA A 27 9.471 -23.407 -20.168 1.00 4.05 C ATOM 397 C ALA A 27 9.248 -22.883 -18.753 1.00 50.21 C ATOM 398 O ALA A 27 8.219 -22.272 -18.463 1.00 3.15 O ATOM 399 CB ALA A 27 9.449 -24.928 -20.178 1.00 63.33 C ATOM 0 H ALA A 27 11.324 -23.640 -21.120 1.00 1.34 H new ATOM 0 HA ALA A 27 8.660 -23.038 -20.796 1.00 4.05 H new ATOM 0 HB1 ALA A 27 8.504 -25.281 -19.765 1.00 63.33 H new ATOM 0 HB2 ALA A 27 9.554 -25.287 -21.202 1.00 63.33 H new ATOM 0 HB3 ALA A 27 10.273 -25.308 -19.574 1.00 63.33 H new ATOM 405 N ASP A 28 10.217 -23.126 -17.877 1.00 73.02 N ATOM 406 CA ASP A 28 10.126 -22.678 -16.492 1.00 53.15 C ATOM 407 C ASP A 28 10.117 -21.155 -16.414 1.00 13.53 C ATOM 408 O ASP A 28 9.460 -20.571 -15.551 1.00 0.45 O ATOM 409 CB ASP A 28 11.292 -23.236 -15.676 1.00 31.44 C ATOM 410 CG ASP A 28 10.928 -24.515 -14.947 1.00 24.12 C ATOM 411 OD1 ASP A 28 9.841 -24.560 -14.335 1.00 0.03 O ATOM 412 OD2 ASP A 28 11.732 -25.471 -14.988 1.00 13.34 O ATOM 0 H ASP A 28 11.075 -23.631 -18.101 1.00 73.02 H new ATOM 0 HA ASP A 28 9.190 -23.051 -16.076 1.00 53.15 H new ATOM 0 HB2 ASP A 28 12.137 -23.426 -16.338 1.00 31.44 H new ATOM 0 HB3 ASP A 28 11.616 -22.488 -14.952 1.00 31.44 H new ATOM 417 N LEU A 29 10.850 -20.516 -17.319 1.00 22.31 N ATOM 418 CA LEU A 29 10.928 -19.060 -17.352 1.00 11.12 C ATOM 419 C LEU A 29 9.561 -18.448 -17.640 1.00 51.13 C ATOM 420 O LEU A 29 9.020 -17.700 -16.825 1.00 61.14 O ATOM 421 CB LEU A 29 11.936 -18.607 -18.410 1.00 34.11 C ATOM 422 CG LEU A 29 11.865 -17.135 -18.818 1.00 34.11 C ATOM 423 CD1 LEU A 29 12.247 -16.239 -17.651 1.00 2.44 C ATOM 424 CD2 LEU A 29 12.766 -16.869 -20.015 1.00 21.42 C ATOM 0 H LEU A 29 11.399 -20.984 -18.040 1.00 22.31 H new ATOM 0 HA LEU A 29 11.260 -18.716 -16.372 1.00 11.12 H new ATOM 0 HB2 LEU A 29 12.940 -18.812 -18.038 1.00 34.11 H new ATOM 0 HB3 LEU A 29 11.796 -19.218 -19.302 1.00 34.11 H new ATOM 0 HG LEU A 29 10.838 -16.906 -19.104 1.00 34.11 H new ATOM 0 HD11 LEU A 29 12.191 -15.195 -17.960 1.00 2.44 H new ATOM 0 HD12 LEU A 29 11.561 -16.409 -16.822 1.00 2.44 H new ATOM 0 HD13 LEU A 29 13.264 -16.469 -17.333 1.00 2.44 H new ATOM 0 HD21 LEU A 29 12.703 -15.817 -20.291 1.00 21.42 H new ATOM 0 HD22 LEU A 29 13.796 -17.115 -19.757 1.00 21.42 H new ATOM 0 HD23 LEU A 29 12.446 -17.485 -20.855 1.00 21.42 H new ATOM 436 N ARG A 30 9.007 -18.772 -18.804 1.00 33.42 N ATOM 437 CA ARG A 30 7.702 -18.255 -19.199 1.00 61.52 C ATOM 438 C ARG A 30 6.646 -18.583 -18.148 1.00 0.14 C ATOM 439 O ARG A 30 5.685 -17.835 -17.963 1.00 45.41 O ATOM 440 CB ARG A 30 7.288 -18.838 -20.552 1.00 13.41 C ATOM 441 CG ARG A 30 7.636 -17.945 -21.732 1.00 10.34 C ATOM 442 CD ARG A 30 7.839 -18.755 -23.002 1.00 42.34 C ATOM 443 NE ARG A 30 6.617 -19.438 -23.417 1.00 61.40 N ATOM 444 CZ ARG A 30 6.458 -20.000 -24.610 1.00 53.44 C ATOM 445 NH1 ARG A 30 7.438 -19.959 -25.502 1.00 41.11 N ATOM 446 NH2 ARG A 30 5.316 -20.604 -24.914 1.00 11.33 N ATOM 0 H ARG A 30 9.441 -19.390 -19.490 1.00 33.42 H new ATOM 0 HA ARG A 30 7.779 -17.171 -19.285 1.00 61.52 H new ATOM 0 HB2 ARG A 30 7.772 -19.806 -20.684 1.00 13.41 H new ATOM 0 HB3 ARG A 30 6.213 -19.017 -20.547 1.00 13.41 H new ATOM 0 HG2 ARG A 30 6.839 -17.217 -21.887 1.00 10.34 H new ATOM 0 HG3 ARG A 30 8.543 -17.382 -21.509 1.00 10.34 H new ATOM 0 HD2 ARG A 30 8.175 -18.096 -23.802 1.00 42.34 H new ATOM 0 HD3 ARG A 30 8.628 -19.490 -22.841 1.00 42.34 H new ATOM 0 HE ARG A 30 5.843 -19.486 -22.754 1.00 61.40 H new ATOM 0 HH11 ARG A 30 8.317 -19.495 -25.273 1.00 41.11 H new ATOM 0 HH12 ARG A 30 7.313 -20.391 -26.417 1.00 41.11 H new ATOM 0 HH21 ARG A 30 4.559 -20.637 -24.231 1.00 11.33 H new ATOM 0 HH22 ARG A 30 5.195 -21.035 -25.831 1.00 11.33 H new ATOM 460 N HIS A 31 6.830 -19.706 -17.461 1.00 24.02 N ATOM 461 CA HIS A 31 5.894 -20.133 -16.427 1.00 54.34 C ATOM 462 C HIS A 31 5.918 -19.172 -15.242 1.00 75.13 C ATOM 463 O HIS A 31 4.904 -18.560 -14.905 1.00 72.34 O ATOM 464 CB HIS A 31 6.229 -21.549 -15.958 1.00 45.41 C ATOM 465 CG HIS A 31 5.135 -22.539 -16.213 1.00 25.34 C ATOM 466 ND1 HIS A 31 4.543 -22.706 -17.447 1.00 12.55 N ATOM 467 CD2 HIS A 31 4.528 -23.420 -15.383 1.00 41.04 C ATOM 468 CE1 HIS A 31 3.617 -23.644 -17.365 1.00 31.31 C ATOM 469 NE2 HIS A 31 3.588 -24.094 -16.123 1.00 63.44 N ATOM 0 H HIS A 31 7.619 -20.337 -17.602 1.00 24.02 H new ATOM 0 HA HIS A 31 4.892 -20.129 -16.855 1.00 54.34 H new ATOM 0 HB2 HIS A 31 7.136 -21.884 -16.461 1.00 45.41 H new ATOM 0 HB3 HIS A 31 6.446 -21.527 -14.890 1.00 45.41 H new ATOM 0 HD2 HIS A 31 4.743 -23.565 -14.335 1.00 41.04 H new ATOM 0 HE1 HIS A 31 2.990 -23.985 -18.175 1.00 31.31 H new ATOM 0 HE2 HIS A 31 2.968 -24.824 -15.771 1.00 63.44 H new ATOM 477 N VAL A 32 7.081 -19.045 -14.613 1.00 25.21 N ATOM 478 CA VAL A 32 7.238 -18.159 -13.466 1.00 34.14 C ATOM 479 C VAL A 32 6.880 -16.722 -13.828 1.00 74.23 C ATOM 480 O VAL A 32 6.237 -16.017 -13.051 1.00 71.01 O ATOM 481 CB VAL A 32 8.677 -18.196 -12.920 1.00 4.21 C ATOM 482 CG1 VAL A 32 8.775 -17.418 -11.616 1.00 74.03 C ATOM 483 CG2 VAL A 32 9.138 -19.633 -12.728 1.00 53.05 C ATOM 0 H VAL A 32 7.930 -19.545 -14.878 1.00 25.21 H new ATOM 0 HA VAL A 32 6.556 -18.517 -12.695 1.00 34.14 H new ATOM 0 HB VAL A 32 9.335 -17.722 -13.649 1.00 4.21 H new ATOM 0 HG11 VAL A 32 9.800 -17.456 -11.246 1.00 74.03 H new ATOM 0 HG12 VAL A 32 8.490 -16.380 -11.789 1.00 74.03 H new ATOM 0 HG13 VAL A 32 8.106 -17.860 -10.878 1.00 74.03 H new ATOM 0 HG21 VAL A 32 10.157 -19.640 -12.342 1.00 53.05 H new ATOM 0 HG22 VAL A 32 8.478 -20.135 -12.020 1.00 53.05 H new ATOM 0 HG23 VAL A 32 9.109 -20.155 -13.684 1.00 53.05 H new ATOM 493 N MET A 33 7.300 -16.295 -15.015 1.00 11.05 N ATOM 494 CA MET A 33 7.022 -14.942 -15.481 1.00 52.43 C ATOM 495 C MET A 33 5.527 -14.741 -15.706 1.00 54.35 C ATOM 496 O MET A 33 4.910 -13.861 -15.105 1.00 11.32 O ATOM 497 CB MET A 33 7.787 -14.658 -16.775 1.00 71.35 C ATOM 498 CG MET A 33 9.220 -14.205 -16.548 1.00 12.15 C ATOM 499 SD MET A 33 9.557 -12.584 -17.261 1.00 0.44 S ATOM 500 CE MET A 33 9.693 -12.999 -18.998 1.00 34.24 C ATOM 0 H MET A 33 7.833 -16.866 -15.671 1.00 11.05 H new ATOM 0 HA MET A 33 7.353 -14.244 -14.711 1.00 52.43 H new ATOM 0 HB2 MET A 33 7.792 -15.559 -17.389 1.00 71.35 H new ATOM 0 HB3 MET A 33 7.257 -13.891 -17.339 1.00 71.35 H new ATOM 0 HG2 MET A 33 9.422 -14.176 -15.477 1.00 12.15 H new ATOM 0 HG3 MET A 33 9.901 -14.937 -16.981 1.00 12.15 H new ATOM 0 HE1 MET A 33 10.665 -12.679 -19.374 1.00 34.24 H new ATOM 0 HE2 MET A 33 9.593 -14.077 -19.123 1.00 34.24 H new ATOM 0 HE3 MET A 33 8.904 -12.494 -19.556 1.00 34.24 H new ATOM 510 N THR A 34 4.948 -15.562 -16.577 1.00 50.13 N ATOM 511 CA THR A 34 3.526 -15.473 -16.883 1.00 33.22 C ATOM 512 C THR A 34 2.680 -15.696 -15.634 1.00 42.21 C ATOM 513 O THR A 34 1.518 -15.297 -15.581 1.00 53.22 O ATOM 514 CB THR A 34 3.117 -16.500 -17.956 1.00 15.12 C ATOM 515 OG1 THR A 34 3.888 -16.299 -19.145 1.00 60.23 O ATOM 516 CG2 THR A 34 1.635 -16.382 -18.280 1.00 70.13 C ATOM 0 H THR A 34 5.443 -16.296 -17.083 1.00 50.13 H new ATOM 0 HA THR A 34 3.347 -14.468 -17.265 1.00 33.22 H new ATOM 0 HB THR A 34 3.309 -17.499 -17.564 1.00 15.12 H new ATOM 0 HG1 THR A 34 4.739 -16.779 -19.068 1.00 60.23 H new ATOM 0 HG21 THR A 34 1.369 -17.117 -19.040 1.00 70.13 H new ATOM 0 HG22 THR A 34 1.050 -16.564 -17.379 1.00 70.13 H new ATOM 0 HG23 THR A 34 1.423 -15.380 -18.654 1.00 70.13 H new ATOM 524 N ASN A 35 3.272 -16.335 -14.630 1.00 43.14 N ATOM 525 CA ASN A 35 2.572 -16.610 -13.381 1.00 24.31 C ATOM 526 C ASN A 35 2.630 -15.405 -12.448 1.00 10.51 C ATOM 527 O ASN A 35 1.597 -14.859 -12.055 1.00 64.45 O ATOM 528 CB ASN A 35 3.180 -17.833 -12.690 1.00 42.04 C ATOM 529 CG ASN A 35 2.568 -18.091 -11.327 1.00 71.12 C ATOM 530 OD1 ASN A 35 1.629 -18.877 -11.195 1.00 5.23 O ATOM 531 ND2 ASN A 35 3.098 -17.428 -10.306 1.00 31.43 N ATOM 0 H ASN A 35 4.234 -16.672 -14.657 1.00 43.14 H new ATOM 0 HA ASN A 35 1.528 -16.815 -13.617 1.00 24.31 H new ATOM 0 HB2 ASN A 35 3.039 -18.711 -13.321 1.00 42.04 H new ATOM 0 HB3 ASN A 35 4.255 -17.688 -12.581 1.00 42.04 H new ATOM 0 HD21 ASN A 35 2.728 -17.560 -9.365 1.00 31.43 H new ATOM 0 HD22 ASN A 35 3.876 -16.787 -10.463 1.00 31.43 H new ATOM 538 N LEU A 36 3.843 -14.993 -12.097 1.00 1.42 N ATOM 539 CA LEU A 36 4.037 -13.850 -11.210 1.00 75.43 C ATOM 540 C LEU A 36 3.265 -12.634 -11.713 1.00 33.44 C ATOM 541 O LEU A 36 2.821 -11.800 -10.926 1.00 12.45 O ATOM 542 CB LEU A 36 5.524 -13.513 -11.097 1.00 64.45 C ATOM 543 CG LEU A 36 6.216 -13.951 -9.806 1.00 33.32 C ATOM 544 CD1 LEU A 36 6.459 -15.453 -9.813 1.00 15.42 C ATOM 545 CD2 LEU A 36 7.525 -13.198 -9.620 1.00 31.31 C ATOM 0 H LEU A 36 4.707 -15.433 -12.413 1.00 1.42 H new ATOM 0 HA LEU A 36 3.656 -14.118 -10.224 1.00 75.43 H new ATOM 0 HB2 LEU A 36 6.045 -13.971 -11.938 1.00 64.45 H new ATOM 0 HB3 LEU A 36 5.640 -12.434 -11.200 1.00 64.45 H new ATOM 0 HG LEU A 36 5.561 -13.714 -8.967 1.00 33.32 H new ATOM 0 HD11 LEU A 36 6.952 -15.746 -8.886 1.00 15.42 H new ATOM 0 HD12 LEU A 36 5.506 -15.975 -9.898 1.00 15.42 H new ATOM 0 HD13 LEU A 36 7.093 -15.715 -10.660 1.00 15.42 H new ATOM 0 HD21 LEU A 36 8.003 -13.523 -8.696 1.00 31.31 H new ATOM 0 HD22 LEU A 36 8.186 -13.403 -10.462 1.00 31.31 H new ATOM 0 HD23 LEU A 36 7.325 -12.128 -9.568 1.00 31.31 H new ATOM 557 N GLY A 37 3.107 -12.542 -13.030 1.00 31.53 N ATOM 558 CA GLY A 37 2.386 -11.427 -13.614 1.00 45.44 C ATOM 559 C GLY A 37 2.768 -11.184 -15.061 1.00 61.32 C ATOM 560 O GLY A 37 3.099 -12.121 -15.787 1.00 71.12 O ATOM 0 H GLY A 37 3.466 -13.220 -13.702 1.00 31.53 H new ATOM 0 HA2 GLY A 37 1.315 -11.618 -13.551 1.00 45.44 H new ATOM 0 HA3 GLY A 37 2.584 -10.526 -13.033 1.00 45.44 H new ATOM 564 N GLU A 38 2.721 -9.924 -15.481 1.00 55.12 N ATOM 565 CA GLU A 38 3.062 -9.563 -16.852 1.00 51.21 C ATOM 566 C GLU A 38 2.195 -10.327 -17.848 1.00 72.51 C ATOM 567 O GLU A 38 2.523 -11.446 -18.245 1.00 4.31 O ATOM 568 CB GLU A 38 4.541 -9.846 -17.124 1.00 52.33 C ATOM 569 CG GLU A 38 5.384 -8.590 -17.271 1.00 33.01 C ATOM 570 CD GLU A 38 5.619 -7.888 -15.948 1.00 0.42 C ATOM 571 OE1 GLU A 38 6.139 -8.536 -15.016 1.00 13.44 O ATOM 572 OE2 GLU A 38 5.283 -6.689 -15.845 1.00 43.03 O ATOM 0 H GLU A 38 2.450 -9.136 -14.892 1.00 55.12 H new ATOM 0 HA GLU A 38 2.874 -8.497 -16.977 1.00 51.21 H new ATOM 0 HB2 GLU A 38 4.942 -10.450 -16.310 1.00 52.33 H new ATOM 0 HB3 GLU A 38 4.627 -10.440 -18.034 1.00 52.33 H new ATOM 0 HG2 GLU A 38 6.344 -8.851 -17.715 1.00 33.01 H new ATOM 0 HG3 GLU A 38 4.891 -7.904 -17.960 1.00 33.01 H new ATOM 579 N LYS A 39 1.085 -9.716 -18.248 1.00 73.51 N ATOM 580 CA LYS A 39 0.169 -10.337 -19.198 1.00 20.10 C ATOM 581 C LYS A 39 0.437 -9.841 -20.615 1.00 71.24 C ATOM 582 O LYS A 39 0.085 -8.714 -20.967 1.00 31.33 O ATOM 583 CB LYS A 39 -1.281 -10.041 -18.808 1.00 41.21 C ATOM 584 CG LYS A 39 -1.991 -11.220 -18.166 1.00 52.12 C ATOM 585 CD LYS A 39 -3.362 -10.827 -17.642 1.00 11.13 C ATOM 586 CE LYS A 39 -3.679 -11.528 -16.330 1.00 1.14 C ATOM 587 NZ LYS A 39 -4.161 -12.920 -16.547 1.00 14.12 N ATOM 0 H LYS A 39 0.798 -8.791 -17.929 1.00 73.51 H new ATOM 0 HA LYS A 39 0.333 -11.414 -19.172 1.00 20.10 H new ATOM 0 HB2 LYS A 39 -1.298 -9.198 -18.118 1.00 41.21 H new ATOM 0 HB3 LYS A 39 -1.833 -9.736 -19.697 1.00 41.21 H new ATOM 0 HG2 LYS A 39 -2.096 -12.024 -18.895 1.00 52.12 H new ATOM 0 HG3 LYS A 39 -1.385 -11.609 -17.347 1.00 52.12 H new ATOM 0 HD2 LYS A 39 -3.402 -9.747 -17.498 1.00 11.13 H new ATOM 0 HD3 LYS A 39 -4.121 -11.078 -18.383 1.00 11.13 H new ATOM 0 HE2 LYS A 39 -2.787 -11.546 -15.703 1.00 1.14 H new ATOM 0 HE3 LYS A 39 -4.437 -10.961 -15.789 1.00 1.14 H new ATOM 0 HZ1 LYS A 39 -4.366 -13.363 -15.629 1.00 14.12 H new ATOM 0 HZ2 LYS A 39 -5.026 -12.902 -17.124 1.00 14.12 H new ATOM 0 HZ3 LYS A 39 -3.428 -13.468 -17.040 1.00 14.12 H new ATOM 601 N LEU A 40 1.060 -10.689 -21.426 1.00 20.30 N ATOM 602 CA LEU A 40 1.374 -10.338 -22.807 1.00 13.44 C ATOM 603 C LEU A 40 1.092 -11.507 -23.744 1.00 33.50 C ATOM 604 O LEU A 40 0.723 -12.597 -23.303 1.00 4.33 O ATOM 605 CB LEU A 40 2.839 -9.916 -22.926 1.00 1.51 C ATOM 606 CG LEU A 40 3.265 -8.721 -22.072 1.00 50.41 C ATOM 607 CD1 LEU A 40 4.725 -8.848 -21.667 1.00 2.42 C ATOM 608 CD2 LEU A 40 3.029 -7.418 -22.823 1.00 2.14 C ATOM 0 H LEU A 40 1.358 -11.625 -21.151 1.00 20.30 H new ATOM 0 HA LEU A 40 0.737 -9.503 -23.097 1.00 13.44 H new ATOM 0 HB2 LEU A 40 3.464 -10.768 -22.660 1.00 1.51 H new ATOM 0 HB3 LEU A 40 3.045 -9.683 -23.971 1.00 1.51 H new ATOM 0 HG LEU A 40 2.658 -8.711 -21.167 1.00 50.41 H new ATOM 0 HD11 LEU A 40 5.010 -7.989 -21.060 1.00 2.42 H new ATOM 0 HD12 LEU A 40 4.864 -9.762 -21.090 1.00 2.42 H new ATOM 0 HD13 LEU A 40 5.349 -8.884 -22.560 1.00 2.42 H new ATOM 0 HD21 LEU A 40 3.338 -6.578 -22.200 1.00 2.14 H new ATOM 0 HD22 LEU A 40 3.610 -7.419 -23.745 1.00 2.14 H new ATOM 0 HD23 LEU A 40 1.970 -7.322 -23.062 1.00 2.14 H new ATOM 620 N THR A 41 1.269 -11.276 -25.041 1.00 40.01 N ATOM 621 CA THR A 41 1.035 -12.310 -26.041 1.00 70.01 C ATOM 622 C THR A 41 2.295 -13.131 -26.289 1.00 5.32 C ATOM 623 O THR A 41 3.402 -12.699 -25.965 1.00 21.44 O ATOM 624 CB THR A 41 0.560 -11.704 -27.375 1.00 60.22 C ATOM 625 OG1 THR A 41 1.621 -10.956 -27.979 1.00 2.33 O ATOM 626 CG2 THR A 41 -0.646 -10.802 -27.161 1.00 3.30 C ATOM 0 H THR A 41 1.574 -10.381 -25.424 1.00 40.01 H new ATOM 0 HA THR A 41 0.254 -12.960 -25.647 1.00 70.01 H new ATOM 0 HB THR A 41 0.270 -12.520 -28.036 1.00 60.22 H new ATOM 0 HG1 THR A 41 1.311 -10.576 -28.827 1.00 2.33 H new ATOM 0 HG21 THR A 41 -0.963 -10.386 -28.117 1.00 3.30 H new ATOM 0 HG22 THR A 41 -1.462 -11.382 -26.729 1.00 3.30 H new ATOM 0 HG23 THR A 41 -0.378 -9.991 -26.483 1.00 3.30 H new ATOM 634 N ASP A 42 2.121 -14.315 -26.866 1.00 0.54 N ATOM 635 CA ASP A 42 3.246 -15.195 -27.159 1.00 33.43 C ATOM 636 C ASP A 42 4.310 -14.465 -27.972 1.00 23.25 C ATOM 637 O ASP A 42 5.498 -14.772 -27.873 1.00 51.20 O ATOM 638 CB ASP A 42 2.767 -16.434 -27.918 1.00 12.30 C ATOM 639 CG ASP A 42 3.532 -17.683 -27.529 1.00 31.33 C ATOM 640 OD1 ASP A 42 3.479 -18.065 -26.341 1.00 4.31 O ATOM 641 OD2 ASP A 42 4.184 -18.280 -28.412 1.00 12.54 O ATOM 0 H ASP A 42 1.212 -14.687 -27.140 1.00 0.54 H new ATOM 0 HA ASP A 42 3.688 -15.506 -26.213 1.00 33.43 H new ATOM 0 HB2 ASP A 42 1.705 -16.587 -27.725 1.00 12.30 H new ATOM 0 HB3 ASP A 42 2.875 -16.264 -28.989 1.00 12.30 H new ATOM 646 N GLU A 43 3.875 -13.499 -28.775 1.00 25.24 N ATOM 647 CA GLU A 43 4.792 -12.727 -29.606 1.00 31.33 C ATOM 648 C GLU A 43 5.558 -11.707 -28.768 1.00 71.22 C ATOM 649 O GLU A 43 6.778 -11.591 -28.878 1.00 11.44 O ATOM 650 CB GLU A 43 4.026 -12.015 -30.722 1.00 51.32 C ATOM 651 CG GLU A 43 3.943 -12.816 -32.011 1.00 5.51 C ATOM 652 CD GLU A 43 5.261 -12.851 -32.761 1.00 31.32 C ATOM 653 OE1 GLU A 43 6.319 -12.737 -32.108 1.00 22.10 O ATOM 654 OE2 GLU A 43 5.233 -12.994 -34.001 1.00 60.03 O ATOM 0 H GLU A 43 2.895 -13.233 -28.868 1.00 25.24 H new ATOM 0 HA GLU A 43 5.509 -13.417 -30.050 1.00 31.33 H new ATOM 0 HB2 GLU A 43 3.016 -11.795 -30.375 1.00 51.32 H new ATOM 0 HB3 GLU A 43 4.507 -11.059 -30.929 1.00 51.32 H new ATOM 0 HG2 GLU A 43 3.632 -13.835 -31.782 1.00 5.51 H new ATOM 0 HG3 GLU A 43 3.175 -12.385 -32.653 1.00 5.51 H new ATOM 661 N GLU A 44 4.832 -10.971 -27.933 1.00 34.01 N ATOM 662 CA GLU A 44 5.443 -9.960 -27.078 1.00 54.11 C ATOM 663 C GLU A 44 6.433 -10.595 -26.106 1.00 73.32 C ATOM 664 O GLU A 44 7.491 -10.033 -25.824 1.00 51.11 O ATOM 665 CB GLU A 44 4.366 -9.198 -26.302 1.00 23.42 C ATOM 666 CG GLU A 44 4.262 -7.732 -26.685 1.00 5.32 C ATOM 667 CD GLU A 44 2.861 -7.337 -27.109 1.00 61.30 C ATOM 668 OE1 GLU A 44 1.893 -7.863 -26.521 1.00 53.52 O ATOM 669 OE2 GLU A 44 2.733 -6.503 -28.029 1.00 43.43 O ATOM 0 H GLU A 44 3.821 -11.056 -27.830 1.00 34.01 H new ATOM 0 HA GLU A 44 5.985 -9.261 -27.715 1.00 54.11 H new ATOM 0 HB2 GLU A 44 3.402 -9.678 -26.469 1.00 23.42 H new ATOM 0 HB3 GLU A 44 4.578 -9.272 -25.235 1.00 23.42 H new ATOM 0 HG2 GLU A 44 4.568 -7.117 -25.839 1.00 5.32 H new ATOM 0 HG3 GLU A 44 4.956 -7.523 -27.499 1.00 5.32 H new ATOM 676 N VAL A 45 6.081 -11.771 -25.596 1.00 74.44 N ATOM 677 CA VAL A 45 6.937 -12.484 -24.656 1.00 62.54 C ATOM 678 C VAL A 45 8.219 -12.958 -25.332 1.00 22.42 C ATOM 679 O VAL A 45 9.277 -13.021 -24.705 1.00 33.33 O ATOM 680 CB VAL A 45 6.212 -13.699 -24.046 1.00 42.23 C ATOM 681 CG1 VAL A 45 7.074 -14.354 -22.978 1.00 62.43 C ATOM 682 CG2 VAL A 45 4.865 -13.283 -23.475 1.00 2.42 C ATOM 0 H VAL A 45 5.208 -12.250 -25.818 1.00 74.44 H new ATOM 0 HA VAL A 45 7.187 -11.782 -23.860 1.00 62.54 H new ATOM 0 HB VAL A 45 6.036 -14.430 -24.835 1.00 42.23 H new ATOM 0 HG11 VAL A 45 6.546 -15.210 -22.558 1.00 62.43 H new ATOM 0 HG12 VAL A 45 8.012 -14.688 -23.422 1.00 62.43 H new ATOM 0 HG13 VAL A 45 7.283 -13.634 -22.187 1.00 62.43 H new ATOM 0 HG21 VAL A 45 4.366 -14.153 -23.048 1.00 2.42 H new ATOM 0 HG22 VAL A 45 5.015 -12.533 -22.698 1.00 2.42 H new ATOM 0 HG23 VAL A 45 4.247 -12.864 -24.269 1.00 2.42 H new ATOM 692 N ASP A 46 8.118 -13.290 -26.614 1.00 73.50 N ATOM 693 CA ASP A 46 9.270 -13.758 -27.376 1.00 52.44 C ATOM 694 C ASP A 46 10.439 -12.786 -27.244 1.00 72.53 C ATOM 695 O ASP A 46 11.569 -13.194 -26.977 1.00 14.13 O ATOM 696 CB ASP A 46 8.898 -13.930 -28.850 1.00 15.42 C ATOM 697 CG ASP A 46 9.282 -15.293 -29.389 1.00 23.42 C ATOM 698 OD1 ASP A 46 10.482 -15.635 -29.335 1.00 31.32 O ATOM 699 OD2 ASP A 46 8.384 -16.019 -29.865 1.00 52.54 O ATOM 0 H ASP A 46 7.250 -13.244 -27.148 1.00 73.50 H new ATOM 0 HA ASP A 46 9.575 -14.723 -26.971 1.00 52.44 H new ATOM 0 HB2 ASP A 46 7.824 -13.784 -28.970 1.00 15.42 H new ATOM 0 HB3 ASP A 46 9.392 -13.157 -29.439 1.00 15.42 H new ATOM 704 N GLU A 47 10.158 -11.501 -27.435 1.00 23.10 N ATOM 705 CA GLU A 47 11.188 -10.473 -27.339 1.00 12.22 C ATOM 706 C GLU A 47 11.610 -10.259 -25.888 1.00 33.41 C ATOM 707 O GLU A 47 12.780 -10.008 -25.602 1.00 31.55 O ATOM 708 CB GLU A 47 10.682 -9.157 -27.933 1.00 44.44 C ATOM 709 CG GLU A 47 11.582 -8.595 -29.022 1.00 31.33 C ATOM 710 CD GLU A 47 10.808 -7.849 -30.091 1.00 72.42 C ATOM 711 OE1 GLU A 47 10.335 -8.503 -31.045 1.00 42.20 O ATOM 712 OE2 GLU A 47 10.675 -6.613 -29.975 1.00 32.41 O ATOM 0 H GLU A 47 9.227 -11.147 -27.657 1.00 23.10 H new ATOM 0 HA GLU A 47 12.056 -10.810 -27.906 1.00 12.22 H new ATOM 0 HB2 GLU A 47 9.684 -9.313 -28.343 1.00 44.44 H new ATOM 0 HB3 GLU A 47 10.588 -8.420 -27.135 1.00 44.44 H new ATOM 0 HG2 GLU A 47 12.313 -7.923 -28.573 1.00 31.33 H new ATOM 0 HG3 GLU A 47 12.139 -9.410 -29.484 1.00 31.33 H new ATOM 719 N MET A 48 10.647 -10.361 -24.977 1.00 43.40 N ATOM 720 CA MET A 48 10.919 -10.179 -23.556 1.00 32.33 C ATOM 721 C MET A 48 12.029 -11.116 -23.090 1.00 70.25 C ATOM 722 O MET A 48 12.967 -10.694 -22.414 1.00 11.24 O ATOM 723 CB MET A 48 9.650 -10.426 -22.737 1.00 24.42 C ATOM 724 CG MET A 48 9.229 -9.233 -21.895 1.00 34.33 C ATOM 725 SD MET A 48 9.569 -9.467 -20.139 1.00 53.15 S ATOM 726 CE MET A 48 11.356 -9.354 -20.123 1.00 62.20 C ATOM 0 H MET A 48 9.673 -10.568 -25.197 1.00 43.40 H new ATOM 0 HA MET A 48 11.248 -9.151 -23.403 1.00 32.33 H new ATOM 0 HB2 MET A 48 8.836 -10.688 -23.413 1.00 24.42 H new ATOM 0 HB3 MET A 48 9.810 -11.283 -22.083 1.00 24.42 H new ATOM 0 HG2 MET A 48 9.751 -8.343 -22.247 1.00 34.33 H new ATOM 0 HG3 MET A 48 8.163 -9.053 -22.034 1.00 34.33 H new ATOM 0 HE1 MET A 48 11.681 -8.855 -19.210 1.00 62.20 H new ATOM 0 HE2 MET A 48 11.784 -10.356 -20.161 1.00 62.20 H new ATOM 0 HE3 MET A 48 11.692 -8.783 -20.988 1.00 62.20 H new ATOM 736 N ILE A 49 11.916 -12.388 -23.457 1.00 70.32 N ATOM 737 CA ILE A 49 12.911 -13.384 -23.078 1.00 11.54 C ATOM 738 C ILE A 49 14.232 -13.144 -23.801 1.00 10.35 C ATOM 739 O ILE A 49 15.297 -13.519 -23.310 1.00 11.13 O ATOM 740 CB ILE A 49 12.423 -14.812 -23.383 1.00 63.13 C ATOM 741 CG1 ILE A 49 11.106 -15.091 -22.657 1.00 72.01 C ATOM 742 CG2 ILE A 49 13.481 -15.830 -22.983 1.00 11.22 C ATOM 743 CD1 ILE A 49 10.471 -16.409 -23.042 1.00 51.11 C ATOM 0 H ILE A 49 11.145 -12.753 -24.016 1.00 70.32 H new ATOM 0 HA ILE A 49 13.064 -13.284 -22.004 1.00 11.54 H new ATOM 0 HB ILE A 49 12.250 -14.899 -24.456 1.00 63.13 H new ATOM 0 HG12 ILE A 49 11.285 -15.083 -21.582 1.00 72.01 H new ATOM 0 HG13 ILE A 49 10.405 -14.284 -22.869 1.00 72.01 H new ATOM 0 HG21 ILE A 49 13.121 -16.835 -23.205 1.00 11.22 H new ATOM 0 HG22 ILE A 49 14.397 -15.641 -23.542 1.00 11.22 H new ATOM 0 HG23 ILE A 49 13.683 -15.744 -21.915 1.00 11.22 H new ATOM 0 HD11 ILE A 49 9.541 -16.540 -22.489 1.00 51.11 H new ATOM 0 HD12 ILE A 49 10.260 -16.413 -24.111 1.00 51.11 H new ATOM 0 HD13 ILE A 49 11.153 -17.225 -22.804 1.00 51.11 H new ATOM 755 N ARG A 50 14.155 -12.515 -24.969 1.00 2.22 N ATOM 756 CA ARG A 50 15.345 -12.224 -25.759 1.00 40.15 C ATOM 757 C ARG A 50 16.370 -11.450 -24.935 1.00 70.41 C ATOM 758 O ARG A 50 17.576 -11.592 -25.135 1.00 73.44 O ATOM 759 CB ARG A 50 14.970 -11.424 -27.008 1.00 44.52 C ATOM 760 CG ARG A 50 15.937 -11.613 -28.166 1.00 0.02 C ATOM 761 CD ARG A 50 16.112 -10.329 -28.961 1.00 43.30 C ATOM 762 NE ARG A 50 17.347 -10.332 -29.741 1.00 72.45 N ATOM 763 CZ ARG A 50 17.499 -11.012 -30.872 1.00 62.44 C ATOM 764 NH1 ARG A 50 16.500 -11.739 -31.353 1.00 32.35 N ATOM 765 NH2 ARG A 50 18.653 -10.966 -31.526 1.00 2.43 N ATOM 0 H ARG A 50 13.281 -12.197 -25.389 1.00 2.22 H new ATOM 0 HA ARG A 50 15.790 -13.172 -26.062 1.00 40.15 H new ATOM 0 HB2 ARG A 50 13.970 -11.716 -27.329 1.00 44.52 H new ATOM 0 HB3 ARG A 50 14.926 -10.366 -26.752 1.00 44.52 H new ATOM 0 HG2 ARG A 50 16.904 -11.940 -27.784 1.00 0.02 H new ATOM 0 HG3 ARG A 50 15.570 -12.402 -28.823 1.00 0.02 H new ATOM 0 HD2 ARG A 50 15.261 -10.198 -29.630 1.00 43.30 H new ATOM 0 HD3 ARG A 50 16.116 -9.478 -28.279 1.00 43.30 H new ATOM 0 HE ARG A 50 18.135 -9.782 -29.399 1.00 72.45 H new ATOM 0 HH11 ARG A 50 15.611 -11.777 -30.854 1.00 32.35 H new ATOM 0 HH12 ARG A 50 16.620 -12.260 -32.222 1.00 32.35 H new ATOM 0 HH21 ARG A 50 19.425 -10.408 -31.160 1.00 2.43 H new ATOM 0 HH22 ARG A 50 18.768 -11.489 -32.394 1.00 2.43 H new ATOM 779 N GLU A 51 15.881 -10.632 -24.008 1.00 72.25 N ATOM 780 CA GLU A 51 16.755 -9.836 -23.155 1.00 51.34 C ATOM 781 C GLU A 51 17.256 -10.658 -21.972 1.00 2.24 C ATOM 782 O GLU A 51 18.461 -10.803 -21.769 1.00 63.23 O ATOM 783 CB GLU A 51 16.018 -8.593 -22.652 1.00 3.33 C ATOM 784 CG GLU A 51 16.357 -7.329 -23.425 1.00 24.33 C ATOM 785 CD GLU A 51 16.594 -6.137 -22.518 1.00 52.35 C ATOM 786 OE1 GLU A 51 15.602 -5.499 -22.107 1.00 52.15 O ATOM 787 OE2 GLU A 51 17.770 -5.841 -22.221 1.00 32.14 O ATOM 0 H GLU A 51 14.885 -10.503 -23.829 1.00 72.25 H new ATOM 0 HA GLU A 51 17.615 -9.525 -23.748 1.00 51.34 H new ATOM 0 HB2 GLU A 51 14.944 -8.769 -22.713 1.00 3.33 H new ATOM 0 HB3 GLU A 51 16.257 -8.440 -21.600 1.00 3.33 H new ATOM 0 HG2 GLU A 51 17.248 -7.504 -24.029 1.00 24.33 H new ATOM 0 HG3 GLU A 51 15.544 -7.100 -24.115 1.00 24.33 H new ATOM 794 N ALA A 52 16.322 -11.193 -21.192 1.00 50.32 N ATOM 795 CA ALA A 52 16.668 -12.001 -20.030 1.00 31.13 C ATOM 796 C ALA A 52 17.607 -13.140 -20.413 1.00 11.03 C ATOM 797 O ALA A 52 18.405 -13.600 -19.596 1.00 70.41 O ATOM 798 CB ALA A 52 15.409 -12.550 -19.375 1.00 71.11 C ATOM 0 H ALA A 52 15.320 -11.081 -21.344 1.00 50.32 H new ATOM 0 HA ALA A 52 17.187 -11.362 -19.316 1.00 31.13 H new ATOM 0 HB1 ALA A 52 15.683 -13.152 -18.508 1.00 71.11 H new ATOM 0 HB2 ALA A 52 14.774 -11.723 -19.057 1.00 71.11 H new ATOM 0 HB3 ALA A 52 14.867 -13.169 -20.090 1.00 71.11 H new ATOM 804 N ASP A 53 17.506 -13.590 -21.658 1.00 72.24 N ATOM 805 CA ASP A 53 18.347 -14.676 -22.150 1.00 12.43 C ATOM 806 C ASP A 53 19.212 -14.208 -23.316 1.00 13.41 C ATOM 807 O ASP A 53 18.884 -14.445 -24.479 1.00 15.41 O ATOM 808 CB ASP A 53 17.484 -15.862 -22.582 1.00 51.04 C ATOM 809 CG ASP A 53 18.261 -17.163 -22.610 1.00 61.41 C ATOM 810 OD1 ASP A 53 19.473 -17.124 -22.906 1.00 44.23 O ATOM 811 OD2 ASP A 53 17.657 -18.222 -22.336 1.00 53.34 O ATOM 0 H ASP A 53 16.850 -13.220 -22.346 1.00 72.24 H new ATOM 0 HA ASP A 53 19.003 -14.991 -21.339 1.00 12.43 H new ATOM 0 HB2 ASP A 53 16.640 -15.961 -21.900 1.00 51.04 H new ATOM 0 HB3 ASP A 53 17.072 -15.667 -23.572 1.00 51.04 H new ATOM 866 N GLY A 58 17.457 -20.132 -24.561 1.00 45.03 N ATOM 867 CA GLY A 58 17.689 -21.405 -23.905 1.00 32.34 C ATOM 868 C GLY A 58 17.377 -21.358 -22.422 1.00 4.12 C ATOM 869 O GLY A 58 16.265 -21.678 -22.005 1.00 14.40 O ATOM 0 HA2 GLY A 58 17.075 -22.171 -24.378 1.00 32.34 H new ATOM 0 HA3 GLY A 58 18.729 -21.698 -24.045 1.00 32.34 H new ATOM 873 N GLN A 59 18.363 -20.960 -21.624 1.00 42.52 N ATOM 874 CA GLN A 59 18.189 -20.874 -20.179 1.00 73.31 C ATOM 875 C GLN A 59 18.457 -19.458 -19.681 1.00 54.10 C ATOM 876 O GLN A 59 19.204 -18.701 -20.302 1.00 31.45 O ATOM 877 CB GLN A 59 19.120 -21.861 -19.473 1.00 2.24 C ATOM 878 CG GLN A 59 18.760 -23.318 -19.715 1.00 12.35 C ATOM 879 CD GLN A 59 19.757 -24.025 -20.611 1.00 2.50 C ATOM 880 OE1 GLN A 59 20.911 -24.229 -20.234 1.00 65.53 O ATOM 881 NE2 GLN A 59 19.316 -24.402 -21.805 1.00 44.14 N ATOM 0 H GLN A 59 19.290 -20.692 -21.954 1.00 42.52 H new ATOM 0 HA GLN A 59 17.155 -21.131 -19.947 1.00 73.31 H new ATOM 0 HB2 GLN A 59 20.142 -21.687 -19.809 1.00 2.24 H new ATOM 0 HB3 GLN A 59 19.099 -21.664 -18.401 1.00 2.24 H new ATOM 0 HG2 GLN A 59 18.704 -23.838 -18.759 1.00 12.35 H new ATOM 0 HG3 GLN A 59 17.769 -23.373 -20.166 1.00 12.35 H new ATOM 0 HE21 GLN A 59 18.351 -24.212 -22.076 1.00 44.14 H new ATOM 0 HE22 GLN A 59 19.942 -24.882 -22.452 1.00 44.14 H new ATOM 890 N VAL A 60 17.841 -19.105 -18.557 1.00 4.22 N ATOM 891 CA VAL A 60 18.014 -17.779 -17.975 1.00 30.33 C ATOM 892 C VAL A 60 18.872 -17.839 -16.716 1.00 35.43 C ATOM 893 O VAL A 60 18.787 -18.790 -15.940 1.00 33.14 O ATOM 894 CB VAL A 60 16.657 -17.137 -17.628 1.00 63.44 C ATOM 895 CG1 VAL A 60 16.842 -15.682 -17.227 1.00 40.23 C ATOM 896 CG2 VAL A 60 15.696 -17.258 -18.802 1.00 4.05 C ATOM 0 H VAL A 60 17.218 -19.718 -18.032 1.00 4.22 H new ATOM 0 HA VAL A 60 18.516 -17.167 -18.725 1.00 30.33 H new ATOM 0 HB VAL A 60 16.228 -17.670 -16.780 1.00 63.44 H new ATOM 0 HG11 VAL A 60 15.873 -15.245 -16.986 1.00 40.23 H new ATOM 0 HG12 VAL A 60 17.493 -15.625 -16.355 1.00 40.23 H new ATOM 0 HG13 VAL A 60 17.293 -15.131 -18.053 1.00 40.23 H new ATOM 0 HG21 VAL A 60 14.742 -16.800 -18.540 1.00 4.05 H new ATOM 0 HG22 VAL A 60 16.116 -16.750 -19.670 1.00 4.05 H new ATOM 0 HG23 VAL A 60 15.540 -18.311 -19.037 1.00 4.05 H new ATOM 906 N ASN A 61 19.697 -16.817 -16.520 1.00 5.35 N ATOM 907 CA ASN A 61 20.572 -16.753 -15.354 1.00 14.11 C ATOM 908 C ASN A 61 19.827 -16.194 -14.145 1.00 52.24 C ATOM 909 O ASN A 61 19.037 -15.258 -14.269 1.00 14.34 O ATOM 910 CB ASN A 61 21.797 -15.889 -15.656 1.00 43.53 C ATOM 911 CG ASN A 61 23.074 -16.476 -15.086 1.00 12.44 C ATOM 912 OD1 ASN A 61 23.105 -16.925 -13.940 1.00 24.20 O ATOM 913 ND2 ASN A 61 24.135 -16.474 -15.884 1.00 54.54 N ATOM 0 H ASN A 61 19.779 -16.021 -17.153 1.00 5.35 H new ATOM 0 HA ASN A 61 20.899 -17.766 -15.121 1.00 14.11 H new ATOM 0 HB2 ASN A 61 21.902 -15.777 -16.735 1.00 43.53 H new ATOM 0 HB3 ASN A 61 21.644 -14.891 -15.245 1.00 43.53 H new ATOM 0 HD21 ASN A 61 25.022 -16.855 -15.554 1.00 54.54 H new ATOM 0 HD22 ASN A 61 24.063 -16.091 -16.827 1.00 54.54 H new ATOM 920 N TYR A 62 20.085 -16.773 -12.978 1.00 71.54 N ATOM 921 CA TYR A 62 19.438 -16.335 -11.747 1.00 41.25 C ATOM 922 C TYR A 62 19.668 -14.845 -11.512 1.00 61.12 C ATOM 923 O TYR A 62 18.872 -14.181 -10.850 1.00 52.41 O ATOM 924 CB TYR A 62 19.964 -17.138 -10.556 1.00 54.24 C ATOM 925 CG TYR A 62 19.607 -16.536 -9.216 1.00 34.42 C ATOM 926 CD1 TYR A 62 18.280 -16.344 -8.850 1.00 71.10 C ATOM 927 CD2 TYR A 62 20.595 -16.159 -8.316 1.00 24.54 C ATOM 928 CE1 TYR A 62 17.949 -15.794 -7.627 1.00 32.44 C ATOM 929 CE2 TYR A 62 20.274 -15.610 -7.090 1.00 34.44 C ATOM 930 CZ TYR A 62 18.949 -15.430 -6.750 1.00 0.42 C ATOM 931 OH TYR A 62 18.624 -14.882 -5.530 1.00 4.30 O ATOM 0 H TYR A 62 20.738 -17.547 -12.858 1.00 71.54 H new ATOM 0 HA TYR A 62 18.366 -16.508 -11.848 1.00 41.25 H new ATOM 0 HB2 TYR A 62 19.566 -18.151 -10.607 1.00 54.24 H new ATOM 0 HB3 TYR A 62 21.048 -17.217 -10.632 1.00 54.24 H new ATOM 0 HD1 TYR A 62 17.494 -16.630 -9.534 1.00 71.10 H new ATOM 0 HD2 TYR A 62 21.633 -16.298 -8.579 1.00 24.54 H new ATOM 0 HE1 TYR A 62 16.913 -15.650 -7.359 1.00 32.44 H new ATOM 0 HE2 TYR A 62 21.055 -15.323 -6.402 1.00 34.44 H new ATOM 0 HH TYR A 62 19.444 -14.683 -5.032 1.00 4.30 H new ATOM 941 N GLU A 63 20.763 -14.328 -12.061 1.00 23.25 N ATOM 942 CA GLU A 63 21.099 -12.917 -11.910 1.00 72.14 C ATOM 943 C GLU A 63 20.199 -12.048 -12.785 1.00 4.03 C ATOM 944 O GLU A 63 19.600 -11.082 -12.311 1.00 25.43 O ATOM 945 CB GLU A 63 22.566 -12.678 -12.273 1.00 0.44 C ATOM 946 CG GLU A 63 23.540 -13.130 -11.198 1.00 30.42 C ATOM 947 CD GLU A 63 24.836 -12.344 -11.216 1.00 41.51 C ATOM 948 OE1 GLU A 63 25.082 -11.627 -12.209 1.00 22.41 O ATOM 949 OE2 GLU A 63 25.604 -12.444 -10.237 1.00 23.35 O ATOM 0 H GLU A 63 21.432 -14.864 -12.614 1.00 23.25 H new ATOM 0 HA GLU A 63 20.941 -12.641 -10.868 1.00 72.14 H new ATOM 0 HB2 GLU A 63 22.792 -13.204 -13.201 1.00 0.44 H new ATOM 0 HB3 GLU A 63 22.716 -11.615 -12.464 1.00 0.44 H new ATOM 0 HG2 GLU A 63 23.070 -13.026 -10.220 1.00 30.42 H new ATOM 0 HG3 GLU A 63 23.760 -14.189 -11.334 1.00 30.42 H new ATOM 956 N ASP A 64 20.111 -12.398 -14.063 1.00 55.11 N ATOM 957 CA ASP A 64 19.284 -11.651 -15.005 1.00 3.04 C ATOM 958 C ASP A 64 17.866 -11.483 -14.469 1.00 31.43 C ATOM 959 O ASP A 64 17.352 -10.368 -14.380 1.00 43.00 O ATOM 960 CB ASP A 64 19.250 -12.359 -16.360 1.00 25.33 C ATOM 961 CG ASP A 64 19.599 -11.431 -17.507 1.00 31.41 C ATOM 962 OD1 ASP A 64 18.888 -10.421 -17.690 1.00 72.01 O ATOM 963 OD2 ASP A 64 20.583 -11.715 -18.221 1.00 21.11 O ATOM 0 H ASP A 64 20.602 -13.194 -14.471 1.00 55.11 H new ATOM 0 HA ASP A 64 19.725 -10.662 -15.132 1.00 3.04 H new ATOM 0 HB2 ASP A 64 19.949 -13.195 -16.347 1.00 25.33 H new ATOM 0 HB3 ASP A 64 18.257 -12.777 -16.524 1.00 25.33 H new ATOM 968 N PHE A 65 17.237 -12.599 -14.113 1.00 64.14 N ATOM 969 CA PHE A 65 15.877 -12.576 -13.588 1.00 63.32 C ATOM 970 C PHE A 65 15.758 -11.589 -12.431 1.00 33.23 C ATOM 971 O PHE A 65 14.941 -10.669 -12.467 1.00 2.52 O ATOM 972 CB PHE A 65 15.463 -13.975 -13.126 1.00 10.35 C ATOM 973 CG PHE A 65 13.977 -14.194 -13.137 1.00 62.22 C ATOM 974 CD1 PHE A 65 13.307 -14.429 -14.327 1.00 45.22 C ATOM 975 CD2 PHE A 65 13.250 -14.166 -11.958 1.00 1.50 C ATOM 976 CE1 PHE A 65 11.940 -14.632 -14.341 1.00 43.44 C ATOM 977 CE2 PHE A 65 11.883 -14.368 -11.966 1.00 20.10 C ATOM 978 CZ PHE A 65 11.227 -14.600 -13.159 1.00 61.22 C ATOM 0 H PHE A 65 17.648 -13.530 -14.179 1.00 64.14 H new ATOM 0 HA PHE A 65 15.210 -12.253 -14.387 1.00 63.32 H new ATOM 0 HB2 PHE A 65 15.936 -14.716 -13.770 1.00 10.35 H new ATOM 0 HB3 PHE A 65 15.839 -14.142 -12.117 1.00 10.35 H new ATOM 0 HD1 PHE A 65 13.860 -14.454 -15.255 1.00 45.22 H new ATOM 0 HD2 PHE A 65 13.757 -13.984 -11.022 1.00 1.50 H new ATOM 0 HE1 PHE A 65 11.430 -14.815 -15.275 1.00 43.44 H new ATOM 0 HE2 PHE A 65 11.328 -14.344 -11.040 1.00 20.10 H new ATOM 0 HZ PHE A 65 10.158 -14.756 -13.167 1.00 61.22 H new ATOM 988 N VAL A 66 16.578 -11.789 -11.404 1.00 12.43 N ATOM 989 CA VAL A 66 16.565 -10.917 -10.235 1.00 44.20 C ATOM 990 C VAL A 66 16.757 -9.458 -10.635 1.00 72.34 C ATOM 991 O VAL A 66 16.224 -8.554 -9.993 1.00 40.22 O ATOM 992 CB VAL A 66 17.664 -11.310 -9.230 1.00 30.23 C ATOM 993 CG1 VAL A 66 17.676 -10.351 -8.049 1.00 41.13 C ATOM 994 CG2 VAL A 66 17.467 -12.744 -8.760 1.00 44.22 C ATOM 0 H VAL A 66 17.259 -12.547 -11.358 1.00 12.43 H new ATOM 0 HA VAL A 66 15.590 -11.036 -9.762 1.00 44.20 H new ATOM 0 HB VAL A 66 18.630 -11.244 -9.730 1.00 30.23 H new ATOM 0 HG11 VAL A 66 18.459 -10.645 -7.350 1.00 41.13 H new ATOM 0 HG12 VAL A 66 17.868 -9.339 -8.404 1.00 41.13 H new ATOM 0 HG13 VAL A 66 16.710 -10.382 -7.546 1.00 41.13 H new ATOM 0 HG21 VAL A 66 18.252 -13.005 -8.050 1.00 44.22 H new ATOM 0 HG22 VAL A 66 16.495 -12.838 -8.276 1.00 44.22 H new ATOM 0 HG23 VAL A 66 17.513 -13.417 -9.616 1.00 44.22 H new ATOM 1004 N GLN A 67 17.520 -9.238 -11.701 1.00 24.13 N ATOM 1005 CA GLN A 67 17.782 -7.889 -12.187 1.00 1.54 C ATOM 1006 C GLN A 67 16.478 -7.148 -12.465 1.00 43.13 C ATOM 1007 O GLN A 67 16.241 -6.066 -11.928 1.00 72.42 O ATOM 1008 CB GLN A 67 18.636 -7.937 -13.455 1.00 0.02 C ATOM 1009 CG GLN A 67 19.366 -6.636 -13.747 1.00 11.11 C ATOM 1010 CD GLN A 67 20.082 -6.656 -15.083 1.00 11.40 C ATOM 1011 OE1 GLN A 67 19.472 -6.437 -16.130 1.00 64.13 O ATOM 1012 NE2 GLN A 67 21.383 -6.918 -15.054 1.00 23.23 N ATOM 0 H GLN A 67 17.967 -9.976 -12.244 1.00 24.13 H new ATOM 0 HA GLN A 67 18.327 -7.350 -11.412 1.00 1.54 H new ATOM 0 HB2 GLN A 67 19.367 -8.740 -13.361 1.00 0.02 H new ATOM 0 HB3 GLN A 67 17.998 -8.184 -14.304 1.00 0.02 H new ATOM 0 HG2 GLN A 67 18.652 -5.812 -13.734 1.00 11.11 H new ATOM 0 HG3 GLN A 67 20.089 -6.444 -12.954 1.00 11.11 H new ATOM 0 HE21 GLN A 67 21.848 -7.094 -14.163 1.00 23.23 H new ATOM 0 HE22 GLN A 67 21.918 -6.944 -15.922 1.00 23.23 H new ATOM 1021 N MET A 68 15.637 -7.737 -13.309 1.00 22.54 N ATOM 1022 CA MET A 68 14.357 -7.133 -13.658 1.00 33.14 C ATOM 1023 C MET A 68 13.538 -6.834 -12.406 1.00 53.21 C ATOM 1024 O MET A 68 12.794 -5.854 -12.359 1.00 62.35 O ATOM 1025 CB MET A 68 13.569 -8.058 -14.588 1.00 10.51 C ATOM 1026 CG MET A 68 12.516 -7.336 -15.413 1.00 13.34 C ATOM 1027 SD MET A 68 13.084 -6.947 -17.079 1.00 61.51 S ATOM 1028 CE MET A 68 12.286 -5.367 -17.350 1.00 34.23 C ATOM 0 H MET A 68 15.819 -8.632 -13.764 1.00 22.54 H new ATOM 0 HA MET A 68 14.555 -6.194 -14.174 1.00 33.14 H new ATOM 0 HB2 MET A 68 14.264 -8.561 -15.261 1.00 10.51 H new ATOM 0 HB3 MET A 68 13.085 -8.832 -13.992 1.00 10.51 H new ATOM 0 HG2 MET A 68 11.621 -7.955 -15.474 1.00 13.34 H new ATOM 0 HG3 MET A 68 12.232 -6.414 -14.906 1.00 13.34 H new ATOM 0 HE1 MET A 68 12.542 -4.995 -18.342 1.00 34.23 H new ATOM 0 HE2 MET A 68 11.205 -5.488 -17.276 1.00 34.23 H new ATOM 0 HE3 MET A 68 12.624 -4.655 -16.597 1.00 34.23 H new ATOM 1038 N MET A 69 13.679 -7.684 -11.394 1.00 41.04 N ATOM 1039 CA MET A 69 12.952 -7.509 -10.142 1.00 43.23 C ATOM 1040 C MET A 69 13.430 -6.261 -9.407 1.00 14.34 C ATOM 1041 O MET A 69 12.640 -5.561 -8.772 1.00 33.14 O ATOM 1042 CB MET A 69 13.127 -8.739 -9.250 1.00 21.20 C ATOM 1043 CG MET A 69 11.993 -9.744 -9.371 1.00 13.31 C ATOM 1044 SD MET A 69 12.115 -10.754 -10.860 1.00 0.43 S ATOM 1045 CE MET A 69 10.954 -9.914 -11.934 1.00 73.34 C ATOM 0 H MET A 69 14.290 -8.501 -11.416 1.00 41.04 H new ATOM 0 HA MET A 69 11.895 -7.388 -10.378 1.00 43.23 H new ATOM 0 HB2 MET A 69 14.066 -9.231 -9.504 1.00 21.20 H new ATOM 0 HB3 MET A 69 13.206 -8.416 -8.212 1.00 21.20 H new ATOM 0 HG2 MET A 69 11.993 -10.393 -8.495 1.00 13.31 H new ATOM 0 HG3 MET A 69 11.041 -9.213 -9.374 1.00 13.31 H new ATOM 0 HE1 MET A 69 10.917 -10.422 -12.898 1.00 73.34 H new ATOM 0 HE2 MET A 69 9.964 -9.926 -11.479 1.00 73.34 H new ATOM 0 HE3 MET A 69 11.274 -8.882 -12.080 1.00 73.34 H new ATOM 1055 N THR A 70 14.727 -5.986 -9.496 1.00 24.42 N ATOM 1056 CA THR A 70 15.310 -4.824 -8.838 1.00 11.14 C ATOM 1057 C THR A 70 14.883 -3.532 -9.524 1.00 54.24 C ATOM 1058 O THR A 70 14.439 -2.588 -8.871 1.00 51.01 O ATOM 1059 CB THR A 70 16.848 -4.899 -8.822 1.00 63.21 C ATOM 1060 OG1 THR A 70 17.270 -6.241 -8.552 1.00 45.44 O ATOM 1061 CG2 THR A 70 17.426 -3.960 -7.774 1.00 35.13 C ATOM 0 H THR A 70 15.395 -6.553 -10.018 1.00 24.42 H new ATOM 0 HA THR A 70 14.943 -4.826 -7.812 1.00 11.14 H new ATOM 0 HB THR A 70 17.214 -4.593 -9.802 1.00 63.21 H new ATOM 0 HG1 THR A 70 18.249 -6.281 -8.545 1.00 45.44 H new ATOM 0 HG21 THR A 70 18.514 -4.031 -7.782 1.00 35.13 H new ATOM 0 HG22 THR A 70 17.128 -2.936 -7.999 1.00 35.13 H new ATOM 0 HG23 THR A 70 17.051 -4.239 -6.789 1.00 35.13 H new ATOM 1069 N ALA A 71 15.019 -3.497 -10.846 1.00 13.51 N ATOM 1070 CA ALA A 71 14.644 -2.321 -11.621 1.00 51.44 C ATOM 1071 C ALA A 71 15.446 -1.099 -11.188 1.00 44.51 C ATOM 1072 O ALA A 71 16.305 -1.186 -10.309 1.00 55.35 O ATOM 1073 CB ALA A 71 13.153 -2.051 -11.484 1.00 33.11 C ATOM 0 H ALA A 71 15.386 -4.269 -11.402 1.00 13.51 H new ATOM 0 HA ALA A 71 14.871 -2.520 -12.668 1.00 51.44 H new ATOM 0 HB1 ALA A 71 12.888 -1.170 -12.068 1.00 33.11 H new ATOM 0 HB2 ALA A 71 12.592 -2.911 -11.850 1.00 33.11 H new ATOM 0 HB3 ALA A 71 12.909 -1.878 -10.436 1.00 33.11 H new