USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 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 Set 1.1: A 48 MET CE :methyl -113:sc= -0.349 (180deg=-3.65!) USER MOD Set 1.2: A 68 MET CE :methyl 144:sc= -0.0255 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 61 ASN : amide:sc= -1.49 K(o=-1.5,f=-7.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.42) USER MOD Single : A 33 MET CE :methyl 177:sc= -1.24 (180deg=-1.31) USER MOD Single : A 34 THR OG1 : rot 103:sc= 0.00552 USER MOD Single : A 35 ASN : amide:sc= -0.165 K(o=-0.16,f=-1.8!) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0778) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 67 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.9) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 83:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 11.780 -9.562 -3.202 1.00 24.31 N ATOM 68 CA GLU A 6 12.156 -10.449 -4.297 1.00 53.10 C ATOM 69 C GLU A 6 12.882 -11.684 -3.772 1.00 45.15 C ATOM 70 O GLU A 6 13.689 -12.288 -4.478 1.00 44.34 O ATOM 71 CB GLU A 6 13.043 -9.709 -5.300 1.00 70.24 C ATOM 72 CG GLU A 6 14.402 -9.324 -4.742 1.00 45.31 C ATOM 73 CD GLU A 6 14.897 -7.994 -5.277 1.00 10.31 C ATOM 74 OE1 GLU A 6 14.417 -7.571 -6.350 1.00 24.30 O ATOM 75 OE2 GLU A 6 15.763 -7.376 -4.623 1.00 40.24 O ATOM 0 HA GLU A 6 11.244 -10.772 -4.799 1.00 53.10 H new ATOM 0 HB2 GLU A 6 13.185 -10.337 -6.179 1.00 70.24 H new ATOM 0 HB3 GLU A 6 12.528 -8.808 -5.632 1.00 70.24 H new ATOM 0 HG2 GLU A 6 14.343 -9.275 -3.655 1.00 45.31 H new ATOM 0 HG3 GLU A 6 15.125 -10.102 -4.987 1.00 45.31 H new ATOM 82 N GLU A 7 12.590 -12.052 -2.529 1.00 71.10 N ATOM 83 CA GLU A 7 13.217 -13.214 -1.910 1.00 14.14 C ATOM 84 C GLU A 7 12.563 -14.506 -2.391 1.00 31.01 C ATOM 85 O GLU A 7 13.230 -15.527 -2.553 1.00 73.31 O ATOM 86 CB GLU A 7 13.123 -13.119 -0.385 1.00 63.32 C ATOM 87 CG GLU A 7 11.701 -13.201 0.144 1.00 63.42 C ATOM 88 CD GLU A 7 11.581 -12.710 1.573 1.00 25.34 C ATOM 89 OE1 GLU A 7 12.336 -13.207 2.436 1.00 42.32 O ATOM 90 OE2 GLU A 7 10.734 -11.830 1.830 1.00 75.31 O ATOM 0 H GLU A 7 11.924 -11.563 -1.931 1.00 71.10 H new ATOM 0 HA GLU A 7 14.267 -13.228 -2.203 1.00 14.14 H new ATOM 0 HB2 GLU A 7 13.713 -13.922 0.058 1.00 63.32 H new ATOM 0 HB3 GLU A 7 13.569 -12.179 -0.060 1.00 63.32 H new ATOM 0 HG2 GLU A 7 11.045 -12.610 -0.495 1.00 63.42 H new ATOM 0 HG3 GLU A 7 11.356 -14.233 0.088 1.00 63.42 H new ATOM 97 N GLU A 8 11.254 -14.452 -2.616 1.00 51.25 N ATOM 98 CA GLU A 8 10.510 -15.618 -3.078 1.00 20.13 C ATOM 99 C GLU A 8 10.772 -15.880 -4.558 1.00 71.00 C ATOM 100 O GLU A 8 10.328 -16.888 -5.109 1.00 10.03 O ATOM 101 CB GLU A 8 9.011 -15.421 -2.841 1.00 22.13 C ATOM 102 CG GLU A 8 8.355 -16.575 -2.102 1.00 30.22 C ATOM 103 CD GLU A 8 7.476 -16.111 -0.957 1.00 2.52 C ATOM 104 OE1 GLU A 8 6.452 -15.449 -1.227 1.00 33.13 O ATOM 105 OE2 GLU A 8 7.813 -16.408 0.208 1.00 15.44 O ATOM 0 H GLU A 8 10.687 -13.614 -2.486 1.00 51.25 H new ATOM 0 HA GLU A 8 10.850 -16.483 -2.508 1.00 20.13 H new ATOM 0 HB2 GLU A 8 8.859 -14.503 -2.273 1.00 22.13 H new ATOM 0 HB3 GLU A 8 8.514 -15.287 -3.802 1.00 22.13 H new ATOM 0 HG2 GLU A 8 7.756 -17.156 -2.803 1.00 30.22 H new ATOM 0 HG3 GLU A 8 9.127 -17.240 -1.716 1.00 30.22 H new ATOM 112 N ILE A 9 11.495 -14.966 -5.196 1.00 12.53 N ATOM 113 CA ILE A 9 11.816 -15.097 -6.611 1.00 62.53 C ATOM 114 C ILE A 9 13.063 -15.951 -6.815 1.00 22.34 C ATOM 115 O ILE A 9 13.119 -16.781 -7.722 1.00 54.14 O ATOM 116 CB ILE A 9 12.036 -13.722 -7.269 1.00 63.51 C ATOM 117 CG1 ILE A 9 10.770 -12.870 -7.156 1.00 65.45 C ATOM 118 CG2 ILE A 9 12.440 -13.891 -8.726 1.00 70.03 C ATOM 119 CD1 ILE A 9 10.956 -11.447 -7.632 1.00 42.44 C ATOM 0 H ILE A 9 11.870 -14.126 -4.755 1.00 12.53 H new ATOM 0 HA ILE A 9 10.963 -15.584 -7.084 1.00 62.53 H new ATOM 0 HB ILE A 9 12.843 -13.210 -6.746 1.00 63.51 H new ATOM 0 HG12 ILE A 9 9.974 -13.337 -7.736 1.00 65.45 H new ATOM 0 HG13 ILE A 9 10.442 -12.857 -6.117 1.00 65.45 H new ATOM 0 HG21 ILE A 9 12.592 -12.911 -9.178 1.00 70.03 H new ATOM 0 HG22 ILE A 9 13.365 -14.464 -8.783 1.00 70.03 H new ATOM 0 HG23 ILE A 9 11.652 -14.420 -9.263 1.00 70.03 H new ATOM 0 HD11 ILE A 9 10.019 -10.901 -7.523 1.00 42.44 H new ATOM 0 HD12 ILE A 9 11.729 -10.962 -7.036 1.00 42.44 H new ATOM 0 HD13 ILE A 9 11.254 -11.450 -8.680 1.00 42.44 H new ATOM 131 N ARG A 10 14.062 -15.743 -5.962 1.00 75.23 N ATOM 132 CA ARG A 10 15.308 -16.494 -6.048 1.00 21.32 C ATOM 133 C ARG A 10 15.081 -17.966 -5.713 1.00 55.51 C ATOM 134 O ARG A 10 15.797 -18.840 -6.198 1.00 44.15 O ATOM 135 CB ARG A 10 16.352 -15.900 -5.100 1.00 62.34 C ATOM 136 CG ARG A 10 15.893 -15.834 -3.653 1.00 4.01 C ATOM 137 CD ARG A 10 17.071 -15.698 -2.701 1.00 4.01 C ATOM 138 NE ARG A 10 16.649 -15.296 -1.362 1.00 23.23 N ATOM 139 CZ ARG A 10 16.109 -16.130 -0.480 1.00 72.24 C ATOM 140 NH1 ARG A 10 15.926 -17.405 -0.795 1.00 21.22 N ATOM 141 NH2 ARG A 10 15.750 -15.689 0.719 1.00 63.33 N ATOM 0 H ARG A 10 14.032 -15.061 -5.204 1.00 75.23 H new ATOM 0 HA ARG A 10 15.675 -16.425 -7.072 1.00 21.32 H new ATOM 0 HB2 ARG A 10 17.263 -16.496 -5.157 1.00 62.34 H new ATOM 0 HB3 ARG A 10 16.607 -14.895 -5.438 1.00 62.34 H new ATOM 0 HG2 ARG A 10 15.218 -14.988 -3.522 1.00 4.01 H new ATOM 0 HG3 ARG A 10 15.328 -16.733 -3.408 1.00 4.01 H new ATOM 0 HD2 ARG A 10 17.602 -16.648 -2.644 1.00 4.01 H new ATOM 0 HD3 ARG A 10 17.773 -14.963 -3.096 1.00 4.01 H new ATOM 0 HE ARG A 10 16.776 -14.321 -1.089 1.00 23.23 H new ATOM 0 HH11 ARG A 10 16.200 -17.747 -1.716 1.00 21.22 H new ATOM 0 HH12 ARG A 10 15.511 -18.044 -0.116 1.00 21.22 H new ATOM 0 HH21 ARG A 10 15.889 -14.709 0.964 1.00 63.33 H new ATOM 0 HH22 ARG A 10 15.336 -16.330 1.395 1.00 63.33 H new ATOM 155 N GLU A 11 14.078 -18.230 -4.880 1.00 45.43 N ATOM 156 CA GLU A 11 13.758 -19.595 -4.480 1.00 42.32 C ATOM 157 C GLU A 11 12.862 -20.269 -5.515 1.00 65.14 C ATOM 158 O GLU A 11 12.885 -21.490 -5.670 1.00 42.34 O ATOM 159 CB GLU A 11 13.071 -19.601 -3.113 1.00 72.23 C ATOM 160 CG GLU A 11 11.602 -19.218 -3.169 1.00 14.30 C ATOM 161 CD GLU A 11 10.688 -20.422 -3.289 1.00 64.23 C ATOM 162 OE1 GLU A 11 10.736 -21.295 -2.398 1.00 21.12 O ATOM 163 OE2 GLU A 11 9.925 -20.491 -4.276 1.00 25.33 O ATOM 0 H GLU A 11 13.474 -17.517 -4.470 1.00 45.43 H new ATOM 0 HA GLU A 11 14.691 -20.155 -4.412 1.00 42.32 H new ATOM 0 HB2 GLU A 11 13.162 -20.595 -2.674 1.00 72.23 H new ATOM 0 HB3 GLU A 11 13.593 -18.911 -2.450 1.00 72.23 H new ATOM 0 HG2 GLU A 11 11.342 -18.658 -2.271 1.00 14.30 H new ATOM 0 HG3 GLU A 11 11.436 -18.555 -4.018 1.00 14.30 H new ATOM 170 N ALA A 12 12.074 -19.465 -6.221 1.00 2.31 N ATOM 171 CA ALA A 12 11.172 -19.982 -7.242 1.00 31.30 C ATOM 172 C ALA A 12 11.949 -20.546 -8.427 1.00 1.22 C ATOM 173 O ALA A 12 11.546 -21.541 -9.029 1.00 65.14 O ATOM 174 CB ALA A 12 10.217 -18.892 -7.705 1.00 5.40 C ATOM 0 H ALA A 12 12.042 -18.452 -6.104 1.00 2.31 H new ATOM 0 HA ALA A 12 10.593 -20.794 -6.802 1.00 31.30 H new ATOM 0 HB1 ALA A 12 9.549 -19.293 -8.468 1.00 5.40 H new ATOM 0 HB2 ALA A 12 9.629 -18.539 -6.858 1.00 5.40 H new ATOM 0 HB3 ALA A 12 10.787 -18.062 -8.122 1.00 5.40 H new ATOM 180 N PHE A 13 13.064 -19.903 -8.756 1.00 44.15 N ATOM 181 CA PHE A 13 13.897 -20.339 -9.871 1.00 64.30 C ATOM 182 C PHE A 13 14.821 -21.477 -9.447 1.00 22.23 C ATOM 183 O PHE A 13 15.339 -22.215 -10.284 1.00 65.55 O ATOM 184 CB PHE A 13 14.725 -19.169 -10.406 1.00 55.52 C ATOM 185 CG PHE A 13 14.121 -18.511 -11.614 1.00 41.03 C ATOM 186 CD1 PHE A 13 13.052 -17.640 -11.483 1.00 52.54 C ATOM 187 CD2 PHE A 13 14.623 -18.764 -12.881 1.00 4.25 C ATOM 188 CE1 PHE A 13 12.494 -17.034 -12.594 1.00 2.24 C ATOM 189 CE2 PHE A 13 14.070 -18.161 -13.994 1.00 41.34 C ATOM 190 CZ PHE A 13 13.005 -17.294 -13.850 1.00 52.34 C ATOM 0 H PHE A 13 13.412 -19.078 -8.267 1.00 44.15 H new ATOM 0 HA PHE A 13 13.240 -20.702 -10.662 1.00 64.30 H new ATOM 0 HB2 PHE A 13 14.841 -18.426 -9.617 1.00 55.52 H new ATOM 0 HB3 PHE A 13 15.724 -19.526 -10.658 1.00 55.52 H new ATOM 0 HD1 PHE A 13 12.650 -17.432 -10.503 1.00 52.54 H new ATOM 0 HD2 PHE A 13 15.456 -19.441 -12.999 1.00 4.25 H new ATOM 0 HE1 PHE A 13 11.659 -16.358 -12.479 1.00 2.24 H new ATOM 0 HE2 PHE A 13 14.470 -18.367 -14.976 1.00 41.34 H new ATOM 0 HZ PHE A 13 12.572 -16.820 -14.719 1.00 52.34 H new ATOM 200 N ARG A 14 15.023 -21.612 -8.140 1.00 14.21 N ATOM 201 CA ARG A 14 15.885 -22.658 -7.604 1.00 12.15 C ATOM 202 C ARG A 14 15.141 -23.988 -7.523 1.00 14.55 C ATOM 203 O ARG A 14 15.715 -25.048 -7.768 1.00 73.44 O ATOM 204 CB ARG A 14 16.399 -22.264 -6.218 1.00 1.23 C ATOM 205 CG ARG A 14 17.910 -22.118 -6.148 1.00 4.43 C ATOM 206 CD ARG A 14 18.505 -22.993 -5.056 1.00 32.31 C ATOM 207 NE ARG A 14 18.751 -24.356 -5.520 1.00 52.13 N ATOM 208 CZ ARG A 14 19.017 -25.372 -4.708 1.00 24.42 C ATOM 209 NH1 ARG A 14 19.072 -25.181 -3.397 1.00 34.10 N ATOM 210 NH2 ARG A 14 19.230 -26.584 -5.206 1.00 51.33 N ATOM 0 H ARG A 14 14.601 -21.010 -7.433 1.00 14.21 H new ATOM 0 HA ARG A 14 16.733 -22.776 -8.279 1.00 12.15 H new ATOM 0 HB2 ARG A 14 15.937 -21.322 -5.923 1.00 1.23 H new ATOM 0 HB3 ARG A 14 16.081 -23.015 -5.495 1.00 1.23 H new ATOM 0 HG2 ARG A 14 18.347 -22.387 -7.110 1.00 4.43 H new ATOM 0 HG3 ARG A 14 18.167 -21.076 -5.961 1.00 4.43 H new ATOM 0 HD2 ARG A 14 19.440 -22.554 -4.709 1.00 32.31 H new ATOM 0 HD3 ARG A 14 17.828 -23.017 -4.202 1.00 32.31 H new ATOM 0 HE ARG A 14 18.717 -24.537 -6.523 1.00 52.13 H new ATOM 0 HH11 ARG A 14 18.910 -24.251 -3.010 1.00 34.10 H new ATOM 0 HH12 ARG A 14 19.277 -25.964 -2.776 1.00 34.10 H new ATOM 0 HH21 ARG A 14 19.189 -26.736 -6.214 1.00 51.33 H new ATOM 0 HH22 ARG A 14 19.434 -27.364 -4.581 1.00 51.33 H new ATOM 224 N VAL A 15 13.859 -23.922 -7.175 1.00 60.35 N ATOM 225 CA VAL A 15 13.036 -25.120 -7.062 1.00 73.34 C ATOM 226 C VAL A 15 13.020 -25.902 -8.371 1.00 65.21 C ATOM 227 O VAL A 15 12.764 -27.106 -8.384 1.00 61.34 O ATOM 228 CB VAL A 15 11.588 -24.771 -6.669 1.00 21.43 C ATOM 229 CG1 VAL A 15 10.731 -26.027 -6.617 1.00 62.01 C ATOM 230 CG2 VAL A 15 11.561 -24.042 -5.334 1.00 54.10 C ATOM 0 H VAL A 15 13.369 -23.052 -6.967 1.00 60.35 H new ATOM 0 HA VAL A 15 13.480 -25.736 -6.279 1.00 73.34 H new ATOM 0 HB VAL A 15 11.173 -24.108 -7.428 1.00 21.43 H new ATOM 0 HG11 VAL A 15 9.712 -25.761 -6.338 1.00 62.01 H new ATOM 0 HG12 VAL A 15 10.726 -26.505 -7.597 1.00 62.01 H new ATOM 0 HG13 VAL A 15 11.141 -26.717 -5.879 1.00 62.01 H new ATOM 0 HG21 VAL A 15 10.531 -23.803 -5.071 1.00 54.10 H new ATOM 0 HG22 VAL A 15 11.994 -24.679 -4.563 1.00 54.10 H new ATOM 0 HG23 VAL A 15 12.139 -23.121 -5.411 1.00 54.10 H new ATOM 240 N PHE A 16 13.297 -25.210 -9.471 1.00 2.41 N ATOM 241 CA PHE A 16 13.315 -25.839 -10.786 1.00 40.24 C ATOM 242 C PHE A 16 14.659 -26.512 -11.049 1.00 40.12 C ATOM 243 O PHE A 16 14.723 -27.575 -11.667 1.00 33.15 O ATOM 244 CB PHE A 16 13.030 -24.802 -11.875 1.00 34.11 C ATOM 245 CG PHE A 16 11.569 -24.491 -12.038 1.00 43.12 C ATOM 246 CD1 PHE A 16 10.658 -25.499 -12.307 1.00 63.52 C ATOM 247 CD2 PHE A 16 11.108 -23.189 -11.923 1.00 72.42 C ATOM 248 CE1 PHE A 16 9.314 -25.217 -12.458 1.00 13.43 C ATOM 249 CE2 PHE A 16 9.764 -22.901 -12.072 1.00 45.43 C ATOM 250 CZ PHE A 16 8.867 -23.915 -12.341 1.00 75.21 C ATOM 0 H PHE A 16 13.512 -24.213 -9.478 1.00 2.41 H new ATOM 0 HA PHE A 16 12.536 -26.601 -10.807 1.00 40.24 H new ATOM 0 HB2 PHE A 16 13.565 -23.882 -11.639 1.00 34.11 H new ATOM 0 HB3 PHE A 16 13.424 -25.165 -12.824 1.00 34.11 H new ATOM 0 HD1 PHE A 16 11.003 -26.518 -12.400 1.00 63.52 H new ATOM 0 HD2 PHE A 16 11.806 -22.391 -11.715 1.00 72.42 H new ATOM 0 HE1 PHE A 16 8.614 -26.013 -12.667 1.00 13.43 H new ATOM 0 HE2 PHE A 16 9.416 -21.883 -11.978 1.00 45.43 H new ATOM 0 HZ PHE A 16 7.817 -23.691 -12.460 1.00 75.21 H new ATOM 260 N ASP A 17 15.730 -25.884 -10.577 1.00 23.44 N ATOM 261 CA ASP A 17 17.074 -26.422 -10.759 1.00 53.24 C ATOM 262 C ASP A 17 17.232 -27.750 -10.025 1.00 43.35 C ATOM 263 O ASP A 17 16.877 -27.870 -8.853 1.00 12.11 O ATOM 264 CB ASP A 17 18.118 -25.422 -10.261 1.00 42.33 C ATOM 265 CG ASP A 17 19.510 -26.019 -10.202 1.00 62.35 C ATOM 266 OD1 ASP A 17 19.832 -26.675 -9.189 1.00 54.35 O ATOM 267 OD2 ASP A 17 20.279 -25.831 -11.169 1.00 55.01 O ATOM 0 H ASP A 17 15.694 -25.002 -10.066 1.00 23.44 H new ATOM 0 HA ASP A 17 17.228 -26.596 -11.824 1.00 53.24 H new ATOM 0 HB2 ASP A 17 18.126 -24.552 -10.918 1.00 42.33 H new ATOM 0 HB3 ASP A 17 17.835 -25.069 -9.269 1.00 42.33 H new ATOM 272 N LYS A 18 17.767 -28.745 -10.724 1.00 24.53 N ATOM 273 CA LYS A 18 17.974 -30.065 -10.140 1.00 32.51 C ATOM 274 C LYS A 18 19.448 -30.455 -10.184 1.00 72.50 C ATOM 275 O LYS A 18 19.821 -31.436 -10.828 1.00 42.02 O ATOM 276 CB LYS A 18 17.136 -31.110 -10.881 1.00 65.22 C ATOM 277 CG LYS A 18 17.165 -32.484 -10.233 1.00 53.41 C ATOM 278 CD LYS A 18 15.792 -33.134 -10.245 1.00 73.34 C ATOM 279 CE LYS A 18 15.871 -34.596 -10.658 1.00 63.13 C ATOM 280 NZ LYS A 18 16.071 -34.748 -12.126 1.00 51.32 N ATOM 0 H LYS A 18 18.065 -28.662 -11.696 1.00 24.53 H new ATOM 0 HA LYS A 18 17.658 -30.027 -9.098 1.00 32.51 H new ATOM 0 HB2 LYS A 18 16.104 -30.764 -10.934 1.00 65.22 H new ATOM 0 HB3 LYS A 18 17.498 -31.193 -11.906 1.00 65.22 H new ATOM 0 HG2 LYS A 18 17.875 -33.121 -10.760 1.00 53.41 H new ATOM 0 HG3 LYS A 18 17.518 -32.396 -9.206 1.00 53.41 H new ATOM 0 HD2 LYS A 18 15.344 -33.058 -9.254 1.00 73.34 H new ATOM 0 HD3 LYS A 18 15.139 -32.595 -10.932 1.00 73.34 H new ATOM 0 HE2 LYS A 18 16.692 -35.079 -10.128 1.00 63.13 H new ATOM 0 HE3 LYS A 18 14.955 -35.107 -10.361 1.00 63.13 H new ATOM 0 HZ1 LYS A 18 16.120 -35.759 -12.367 1.00 51.32 H new ATOM 0 HZ2 LYS A 18 15.275 -34.309 -12.632 1.00 51.32 H new ATOM 0 HZ3 LYS A 18 16.958 -34.282 -12.406 1.00 51.32 H new ATOM 327 N GLY A 22 21.312 -22.776 -11.156 1.00 65.41 N ATOM 328 CA GLY A 22 20.364 -21.678 -11.155 1.00 71.14 C ATOM 329 C GLY A 22 19.990 -21.234 -12.556 1.00 3.13 C ATOM 330 O GLY A 22 19.399 -20.170 -12.740 1.00 12.22 O ATOM 0 HA2 GLY A 22 19.463 -21.980 -10.620 1.00 71.14 H new ATOM 0 HA3 GLY A 22 20.790 -20.835 -10.611 1.00 71.14 H new ATOM 334 N TYR A 23 20.337 -22.049 -13.545 1.00 61.14 N ATOM 335 CA TYR A 23 20.038 -21.732 -14.937 1.00 30.41 C ATOM 336 C TYR A 23 18.911 -22.614 -15.466 1.00 63.33 C ATOM 337 O TYR A 23 19.012 -23.841 -15.456 1.00 73.50 O ATOM 338 CB TYR A 23 21.287 -21.908 -15.802 1.00 4.03 C ATOM 339 CG TYR A 23 22.461 -21.070 -15.347 1.00 22.41 C ATOM 340 CD1 TYR A 23 23.277 -21.491 -14.304 1.00 44.30 C ATOM 341 CD2 TYR A 23 22.755 -19.859 -15.961 1.00 74.01 C ATOM 342 CE1 TYR A 23 24.350 -20.728 -13.885 1.00 23.21 C ATOM 343 CE2 TYR A 23 23.826 -19.091 -15.550 1.00 4.45 C ATOM 344 CZ TYR A 23 24.621 -19.529 -14.511 1.00 31.22 C ATOM 345 OH TYR A 23 25.690 -18.767 -14.097 1.00 73.51 O ATOM 0 H TYR A 23 20.826 -22.934 -13.409 1.00 61.14 H new ATOM 0 HA TYR A 23 19.715 -20.692 -14.985 1.00 30.41 H new ATOM 0 HB2 TYR A 23 21.577 -22.959 -15.797 1.00 4.03 H new ATOM 0 HB3 TYR A 23 21.044 -21.649 -16.833 1.00 4.03 H new ATOM 0 HD1 TYR A 23 23.069 -22.430 -13.813 1.00 44.30 H new ATOM 0 HD2 TYR A 23 22.135 -19.512 -16.774 1.00 74.01 H new ATOM 0 HE1 TYR A 23 24.973 -21.069 -13.071 1.00 23.21 H new ATOM 0 HE2 TYR A 23 24.040 -18.152 -16.039 1.00 4.45 H new ATOM 0 HH TYR A 23 25.743 -17.954 -14.642 1.00 73.51 H new ATOM 355 N ILE A 24 17.840 -21.979 -15.929 1.00 34.41 N ATOM 356 CA ILE A 24 16.694 -22.705 -16.464 1.00 44.13 C ATOM 357 C ILE A 24 16.624 -22.578 -17.982 1.00 61.23 C ATOM 358 O ILE A 24 17.403 -21.844 -18.591 1.00 33.31 O ATOM 359 CB ILE A 24 15.373 -22.199 -15.856 1.00 50.34 C ATOM 360 CG1 ILE A 24 15.253 -20.683 -16.032 1.00 72.52 C ATOM 361 CG2 ILE A 24 15.289 -22.575 -14.385 1.00 15.13 C ATOM 362 CD1 ILE A 24 13.961 -20.252 -16.690 1.00 32.11 C ATOM 0 H ILE A 24 17.741 -20.964 -15.945 1.00 34.41 H new ATOM 0 HA ILE A 24 16.830 -23.752 -16.195 1.00 44.13 H new ATOM 0 HB ILE A 24 14.543 -22.674 -16.380 1.00 50.34 H new ATOM 0 HG12 ILE A 24 15.331 -20.205 -15.056 1.00 72.52 H new ATOM 0 HG13 ILE A 24 16.092 -20.327 -16.630 1.00 72.52 H new ATOM 0 HG21 ILE A 24 14.350 -22.210 -13.969 1.00 15.13 H new ATOM 0 HG22 ILE A 24 15.334 -23.659 -14.283 1.00 15.13 H new ATOM 0 HG23 ILE A 24 16.123 -22.125 -13.846 1.00 15.13 H new ATOM 0 HD11 ILE A 24 13.944 -19.166 -16.783 1.00 32.11 H new ATOM 0 HD12 ILE A 24 13.889 -20.702 -17.680 1.00 32.11 H new ATOM 0 HD13 ILE A 24 13.117 -20.577 -16.082 1.00 32.11 H new ATOM 374 N SER A 25 15.684 -23.297 -18.588 1.00 23.22 N ATOM 375 CA SER A 25 15.513 -23.267 -20.036 1.00 31.05 C ATOM 376 C SER A 25 14.394 -22.308 -20.430 1.00 42.42 C ATOM 377 O SER A 25 13.659 -21.810 -19.578 1.00 43.40 O ATOM 378 CB SER A 25 15.207 -24.670 -20.563 1.00 51.05 C ATOM 379 OG SER A 25 16.001 -24.973 -21.697 1.00 42.33 O ATOM 0 H SER A 25 15.029 -23.907 -18.099 1.00 23.22 H new ATOM 0 HA SER A 25 16.444 -22.915 -20.481 1.00 31.05 H new ATOM 0 HB2 SER A 25 15.392 -25.405 -19.779 1.00 51.05 H new ATOM 0 HB3 SER A 25 14.151 -24.741 -20.825 1.00 51.05 H new ATOM 0 HG SER A 25 15.788 -25.876 -22.014 1.00 42.33 H new ATOM 385 N ALA A 26 14.272 -22.053 -21.729 1.00 21.30 N ATOM 386 CA ALA A 26 13.243 -21.156 -22.238 1.00 52.32 C ATOM 387 C ALA A 26 11.880 -21.487 -21.640 1.00 20.53 C ATOM 388 O ALA A 26 11.155 -20.599 -21.194 1.00 34.13 O ATOM 389 CB ALA A 26 13.186 -21.226 -23.757 1.00 15.10 C ATOM 0 H ALA A 26 14.874 -22.456 -22.448 1.00 21.30 H new ATOM 0 HA ALA A 26 13.503 -20.140 -21.941 1.00 52.32 H new ATOM 0 HB1 ALA A 26 12.413 -20.551 -24.124 1.00 15.10 H new ATOM 0 HB2 ALA A 26 14.150 -20.932 -24.171 1.00 15.10 H new ATOM 0 HB3 ALA A 26 12.954 -22.245 -24.066 1.00 15.10 H new ATOM 395 N ALA A 27 11.538 -22.772 -21.634 1.00 2.20 N ATOM 396 CA ALA A 27 10.263 -23.220 -21.089 1.00 30.50 C ATOM 397 C ALA A 27 10.017 -22.626 -19.706 1.00 41.14 C ATOM 398 O ALA A 27 9.047 -21.898 -19.497 1.00 53.20 O ATOM 399 CB ALA A 27 10.221 -24.740 -21.027 1.00 72.12 C ATOM 0 H ALA A 27 12.126 -23.520 -22.000 1.00 2.20 H new ATOM 0 HA ALA A 27 9.471 -22.871 -21.751 1.00 30.50 H new ATOM 0 HB1 ALA A 27 9.263 -25.061 -20.618 1.00 72.12 H new ATOM 0 HB2 ALA A 27 10.342 -25.149 -22.030 1.00 72.12 H new ATOM 0 HB3 ALA A 27 11.027 -25.101 -20.388 1.00 72.12 H new ATOM 405 N ASP A 28 10.901 -22.941 -18.766 1.00 61.34 N ATOM 406 CA ASP A 28 10.780 -22.438 -17.403 1.00 40.31 C ATOM 407 C ASP A 28 10.681 -20.915 -17.393 1.00 24.40 C ATOM 408 O ASP A 28 10.056 -20.329 -16.508 1.00 42.14 O ATOM 409 CB ASP A 28 11.975 -22.889 -16.562 1.00 32.42 C ATOM 410 CG ASP A 28 11.666 -24.119 -15.731 1.00 71.30 C ATOM 411 OD1 ASP A 28 10.646 -24.783 -16.010 1.00 55.54 O ATOM 412 OD2 ASP A 28 12.444 -24.418 -14.801 1.00 20.22 O ATOM 0 H ASP A 28 11.710 -23.543 -18.923 1.00 61.34 H new ATOM 0 HA ASP A 28 9.867 -22.847 -16.971 1.00 40.31 H new ATOM 0 HB2 ASP A 28 12.819 -23.100 -17.219 1.00 32.42 H new ATOM 0 HB3 ASP A 28 12.280 -22.076 -15.903 1.00 32.42 H new ATOM 417 N LEU A 29 11.303 -20.281 -18.381 1.00 1.13 N ATOM 418 CA LEU A 29 11.287 -18.826 -18.485 1.00 54.14 C ATOM 419 C LEU A 29 9.902 -18.324 -18.881 1.00 74.22 C ATOM 420 O LEU A 29 9.312 -17.492 -18.192 1.00 34.11 O ATOM 421 CB LEU A 29 12.323 -18.357 -19.508 1.00 10.20 C ATOM 422 CG LEU A 29 12.726 -16.884 -19.428 1.00 54.22 C ATOM 423 CD1 LEU A 29 13.558 -16.625 -18.182 1.00 11.30 C ATOM 424 CD2 LEU A 29 13.490 -16.471 -20.678 1.00 21.44 C ATOM 0 H LEU A 29 11.824 -20.751 -19.121 1.00 1.13 H new ATOM 0 HA LEU A 29 11.537 -18.414 -17.508 1.00 54.14 H new ATOM 0 HB2 LEU A 29 13.220 -18.965 -19.392 1.00 10.20 H new ATOM 0 HB3 LEU A 29 11.932 -18.552 -20.507 1.00 10.20 H new ATOM 0 HG LEU A 29 11.819 -16.282 -19.366 1.00 54.22 H new ATOM 0 HD11 LEU A 29 13.835 -15.572 -18.142 1.00 11.30 H new ATOM 0 HD12 LEU A 29 12.976 -16.881 -17.296 1.00 11.30 H new ATOM 0 HD13 LEU A 29 14.460 -17.237 -18.213 1.00 11.30 H new ATOM 0 HD21 LEU A 29 13.769 -15.420 -20.603 1.00 21.44 H new ATOM 0 HD22 LEU A 29 14.390 -17.079 -20.772 1.00 21.44 H new ATOM 0 HD23 LEU A 29 12.860 -16.618 -21.555 1.00 21.44 H new ATOM 436 N ARG A 30 9.388 -18.837 -19.994 1.00 72.24 N ATOM 437 CA ARG A 30 8.072 -18.442 -20.481 1.00 53.03 C ATOM 438 C ARG A 30 7.002 -18.695 -19.423 1.00 71.52 C ATOM 439 O ARG A 30 6.022 -17.956 -19.327 1.00 33.34 O ATOM 440 CB ARG A 30 7.728 -19.205 -21.762 1.00 41.52 C ATOM 441 CG ARG A 30 6.576 -18.595 -22.543 1.00 53.24 C ATOM 442 CD ARG A 30 6.489 -19.171 -23.948 1.00 54.41 C ATOM 443 NE ARG A 30 6.550 -18.130 -24.971 1.00 61.00 N ATOM 444 CZ ARG A 30 6.539 -18.380 -26.276 1.00 20.35 C ATOM 445 NH1 ARG A 30 6.469 -19.630 -26.714 1.00 14.33 N ATOM 446 NH2 ARG A 30 6.598 -17.379 -27.145 1.00 31.52 N ATOM 0 H ARG A 30 9.863 -19.527 -20.576 1.00 72.24 H new ATOM 0 HA ARG A 30 8.099 -17.374 -20.698 1.00 53.03 H new ATOM 0 HB2 ARG A 30 8.610 -19.241 -22.401 1.00 41.52 H new ATOM 0 HB3 ARG A 30 7.477 -20.234 -21.506 1.00 41.52 H new ATOM 0 HG2 ARG A 30 5.640 -18.778 -22.015 1.00 53.24 H new ATOM 0 HG3 ARG A 30 6.705 -17.514 -22.599 1.00 53.24 H new ATOM 0 HD2 ARG A 30 7.304 -19.878 -24.101 1.00 54.41 H new ATOM 0 HD3 ARG A 30 5.559 -19.729 -24.054 1.00 54.41 H new ATOM 0 HE ARG A 30 6.604 -17.158 -24.667 1.00 61.00 H new ATOM 0 HH11 ARG A 30 6.423 -20.402 -26.049 1.00 14.33 H new ATOM 0 HH12 ARG A 30 6.461 -19.820 -27.716 1.00 14.33 H new ATOM 0 HH21 ARG A 30 6.652 -16.417 -26.811 1.00 31.52 H new ATOM 0 HH22 ARG A 30 6.590 -17.572 -28.147 1.00 31.52 H new ATOM 460 N HIS A 31 7.197 -19.746 -18.632 1.00 13.43 N ATOM 461 CA HIS A 31 6.249 -20.097 -17.580 1.00 54.24 C ATOM 462 C HIS A 31 6.300 -19.083 -16.442 1.00 13.42 C ATOM 463 O HIS A 31 5.315 -18.399 -16.161 1.00 20.11 O ATOM 464 CB HIS A 31 6.545 -21.498 -17.045 1.00 11.15 C ATOM 465 CG HIS A 31 6.117 -22.596 -17.969 1.00 44.44 C ATOM 466 ND1 HIS A 31 6.022 -22.434 -19.335 1.00 71.45 N ATOM 467 CD2 HIS A 31 5.761 -23.877 -17.717 1.00 55.24 C ATOM 468 CE1 HIS A 31 5.623 -23.568 -19.884 1.00 21.24 C ATOM 469 NE2 HIS A 31 5.458 -24.460 -18.923 1.00 51.13 N ATOM 0 H HIS A 31 8.002 -20.369 -18.700 1.00 13.43 H new ATOM 0 HA HIS A 31 5.247 -20.084 -18.009 1.00 54.24 H new ATOM 0 HB2 HIS A 31 7.615 -21.588 -16.859 1.00 11.15 H new ATOM 0 HB3 HIS A 31 6.043 -21.625 -16.086 1.00 11.15 H new ATOM 0 HD2 HIS A 31 5.722 -24.352 -16.748 1.00 55.24 H new ATOM 0 HE1 HIS A 31 5.460 -23.737 -20.938 1.00 21.24 H new ATOM 0 HE2 HIS A 31 5.155 -25.425 -19.055 1.00 51.13 H new ATOM 477 N VAL A 32 7.454 -18.991 -15.789 1.00 11.33 N ATOM 478 CA VAL A 32 7.633 -18.060 -14.681 1.00 5.11 C ATOM 479 C VAL A 32 7.276 -16.637 -15.095 1.00 42.13 C ATOM 480 O VAL A 32 6.635 -15.903 -14.344 1.00 32.54 O ATOM 481 CB VAL A 32 9.082 -18.082 -14.158 1.00 62.33 C ATOM 482 CG1 VAL A 32 9.236 -17.146 -12.970 1.00 13.24 C ATOM 483 CG2 VAL A 32 9.493 -19.499 -13.788 1.00 34.44 C ATOM 0 H VAL A 32 8.279 -19.550 -16.008 1.00 11.33 H new ATOM 0 HA VAL A 32 6.962 -18.383 -13.885 1.00 5.11 H new ATOM 0 HB VAL A 32 9.742 -17.732 -14.952 1.00 62.33 H new ATOM 0 HG11 VAL A 32 10.266 -17.175 -12.615 1.00 13.24 H new ATOM 0 HG12 VAL A 32 8.985 -16.129 -13.273 1.00 13.24 H new ATOM 0 HG13 VAL A 32 8.567 -17.461 -12.169 1.00 13.24 H new ATOM 0 HG21 VAL A 32 10.519 -19.496 -13.421 1.00 34.44 H new ATOM 0 HG22 VAL A 32 8.830 -19.879 -13.010 1.00 34.44 H new ATOM 0 HG23 VAL A 32 9.424 -20.139 -14.668 1.00 34.44 H new ATOM 493 N MET A 33 7.696 -16.253 -16.297 1.00 34.44 N ATOM 494 CA MET A 33 7.418 -14.918 -16.812 1.00 40.31 C ATOM 495 C MET A 33 5.922 -14.720 -17.032 1.00 74.23 C ATOM 496 O MET A 33 5.313 -13.816 -16.460 1.00 11.44 O ATOM 497 CB MET A 33 8.173 -14.686 -18.122 1.00 62.33 C ATOM 498 CG MET A 33 9.671 -14.508 -17.937 1.00 3.31 C ATOM 499 SD MET A 33 10.293 -13.003 -18.713 1.00 33.50 S ATOM 500 CE MET A 33 11.742 -13.632 -19.557 1.00 72.05 C ATOM 0 H MET A 33 8.230 -16.847 -16.931 1.00 34.44 H new ATOM 0 HA MET A 33 7.757 -14.193 -16.072 1.00 40.31 H new ATOM 0 HB2 MET A 33 7.995 -15.530 -18.789 1.00 62.33 H new ATOM 0 HB3 MET A 33 7.768 -13.801 -18.613 1.00 62.33 H new ATOM 0 HG2 MET A 33 9.901 -14.485 -16.872 1.00 3.31 H new ATOM 0 HG3 MET A 33 10.190 -15.370 -18.357 1.00 3.31 H new ATOM 0 HE1 MET A 33 12.207 -12.829 -20.129 1.00 72.05 H new ATOM 0 HE2 MET A 33 12.452 -14.015 -18.824 1.00 72.05 H new ATOM 0 HE3 MET A 33 11.449 -14.436 -20.233 1.00 72.05 H new ATOM 510 N THR A 34 5.333 -15.572 -17.866 1.00 40.14 N ATOM 511 CA THR A 34 3.909 -15.490 -18.163 1.00 55.23 C ATOM 512 C THR A 34 3.074 -15.628 -16.895 1.00 72.33 C ATOM 513 O THR A 34 1.918 -15.209 -16.853 1.00 40.01 O ATOM 514 CB THR A 34 3.480 -16.577 -19.167 1.00 44.44 C ATOM 515 OG1 THR A 34 4.208 -16.427 -20.392 1.00 0.55 O ATOM 516 CG2 THR A 34 1.987 -16.498 -19.446 1.00 40.42 C ATOM 0 H THR A 34 5.821 -16.327 -18.348 1.00 40.14 H new ATOM 0 HA THR A 34 3.735 -14.509 -18.605 1.00 55.23 H new ATOM 0 HB THR A 34 3.700 -17.551 -18.730 1.00 44.44 H new ATOM 0 HG1 THR A 34 4.915 -17.104 -20.438 1.00 0.55 H new ATOM 0 HG21 THR A 34 1.708 -17.275 -20.157 1.00 40.42 H new ATOM 0 HG22 THR A 34 1.435 -16.642 -18.517 1.00 40.42 H new ATOM 0 HG23 THR A 34 1.746 -15.520 -19.864 1.00 40.42 H new ATOM 524 N ASN A 35 3.667 -16.219 -15.863 1.00 44.31 N ATOM 525 CA ASN A 35 2.977 -16.412 -14.593 1.00 25.12 C ATOM 526 C ASN A 35 3.071 -15.160 -13.727 1.00 2.34 C ATOM 527 O ASN A 35 2.059 -14.535 -13.407 1.00 73.12 O ATOM 528 CB ASN A 35 3.569 -17.609 -13.845 1.00 14.34 C ATOM 529 CG ASN A 35 2.928 -18.921 -14.254 1.00 52.34 C ATOM 530 OD1 ASN A 35 1.759 -18.960 -14.638 1.00 72.23 O ATOM 531 ND2 ASN A 35 3.693 -20.003 -14.174 1.00 71.10 N ATOM 0 H ASN A 35 4.624 -16.572 -15.881 1.00 44.31 H new ATOM 0 HA ASN A 35 1.926 -16.607 -14.805 1.00 25.12 H new ATOM 0 HB2 ASN A 35 4.641 -17.657 -14.034 1.00 14.34 H new ATOM 0 HB3 ASN A 35 3.440 -17.464 -12.772 1.00 14.34 H new ATOM 0 HD21 ASN A 35 3.317 -20.914 -14.437 1.00 71.10 H new ATOM 0 HD22 ASN A 35 4.657 -19.923 -13.850 1.00 71.10 H new ATOM 538 N LEU A 36 4.293 -14.798 -13.350 1.00 54.30 N ATOM 539 CA LEU A 36 4.520 -13.619 -12.521 1.00 72.01 C ATOM 540 C LEU A 36 3.997 -12.361 -13.208 1.00 21.42 C ATOM 541 O LEU A 36 4.560 -11.905 -14.202 1.00 75.44 O ATOM 542 CB LEU A 36 6.011 -13.465 -12.217 1.00 30.25 C ATOM 543 CG LEU A 36 6.463 -13.923 -10.829 1.00 44.53 C ATOM 544 CD1 LEU A 36 7.310 -15.182 -10.932 1.00 54.10 C ATOM 545 CD2 LEU A 36 7.236 -12.815 -10.128 1.00 54.40 C ATOM 0 H LEU A 36 5.141 -15.304 -13.605 1.00 54.30 H new ATOM 0 HA LEU A 36 3.976 -13.753 -11.586 1.00 72.01 H new ATOM 0 HB2 LEU A 36 6.574 -14.025 -12.964 1.00 30.25 H new ATOM 0 HB3 LEU A 36 6.280 -12.415 -12.337 1.00 30.25 H new ATOM 0 HG LEU A 36 5.577 -14.153 -10.237 1.00 44.53 H new ATOM 0 HD11 LEU A 36 7.622 -15.493 -9.935 1.00 54.10 H new ATOM 0 HD12 LEU A 36 6.725 -15.977 -11.393 1.00 54.10 H new ATOM 0 HD13 LEU A 36 8.191 -14.979 -11.541 1.00 54.10 H new ATOM 0 HD21 LEU A 36 7.550 -13.158 -9.142 1.00 54.40 H new ATOM 0 HD22 LEU A 36 8.115 -12.555 -10.718 1.00 54.40 H new ATOM 0 HD23 LEU A 36 6.598 -11.938 -10.021 1.00 54.40 H new ATOM 557 N GLY A 37 2.917 -11.804 -12.668 1.00 44.30 N ATOM 558 CA GLY A 37 2.338 -10.603 -13.241 1.00 0.45 C ATOM 559 C GLY A 37 0.839 -10.523 -13.027 1.00 64.33 C ATOM 560 O GLY A 37 0.269 -11.324 -12.287 1.00 54.24 O ATOM 0 H GLY A 37 2.433 -12.163 -11.845 1.00 44.30 H new ATOM 0 HA2 GLY A 37 2.812 -9.727 -12.798 1.00 0.45 H new ATOM 0 HA3 GLY A 37 2.551 -10.575 -14.310 1.00 0.45 H new ATOM 564 N GLU A 38 0.201 -9.554 -13.676 1.00 62.21 N ATOM 565 CA GLU A 38 -1.240 -9.373 -13.551 1.00 12.41 C ATOM 566 C GLU A 38 -1.912 -9.389 -14.921 1.00 44.32 C ATOM 567 O GLU A 38 -2.614 -10.338 -15.270 1.00 50.33 O ATOM 568 CB GLU A 38 -1.551 -8.057 -12.834 1.00 45.22 C ATOM 569 CG GLU A 38 -1.011 -7.995 -11.415 1.00 42.32 C ATOM 570 CD GLU A 38 -1.034 -6.591 -10.843 1.00 40.42 C ATOM 571 OE1 GLU A 38 -1.089 -5.628 -11.637 1.00 74.12 O ATOM 572 OE2 GLU A 38 -0.996 -6.454 -9.603 1.00 15.04 O ATOM 0 H GLU A 38 0.659 -8.883 -14.293 1.00 62.21 H new ATOM 0 HA GLU A 38 -1.634 -10.202 -12.963 1.00 12.41 H new ATOM 0 HB2 GLU A 38 -1.132 -7.232 -13.410 1.00 45.22 H new ATOM 0 HB3 GLU A 38 -2.631 -7.913 -12.809 1.00 45.22 H new ATOM 0 HG2 GLU A 38 -1.601 -8.653 -10.777 1.00 42.32 H new ATOM 0 HG3 GLU A 38 0.012 -8.372 -11.403 1.00 42.32 H new ATOM 579 N LYS A 39 -1.691 -8.331 -15.694 1.00 1.40 N ATOM 580 CA LYS A 39 -2.273 -8.221 -17.026 1.00 63.15 C ATOM 581 C LYS A 39 -1.186 -8.224 -18.097 1.00 23.14 C ATOM 582 O LYS A 39 -0.578 -7.191 -18.382 1.00 21.43 O ATOM 583 CB LYS A 39 -3.108 -6.944 -17.137 1.00 55.11 C ATOM 584 CG LYS A 39 -4.528 -7.186 -17.619 1.00 73.03 C ATOM 585 CD LYS A 39 -5.546 -6.500 -16.723 1.00 71.52 C ATOM 586 CE LYS A 39 -5.960 -7.394 -15.564 1.00 61.32 C ATOM 587 NZ LYS A 39 -5.128 -7.153 -14.353 1.00 10.31 N ATOM 0 H LYS A 39 -1.112 -7.537 -15.420 1.00 1.40 H new ATOM 0 HA LYS A 39 -2.918 -9.085 -17.185 1.00 63.15 H new ATOM 0 HB2 LYS A 39 -3.142 -6.456 -16.163 1.00 55.11 H new ATOM 0 HB3 LYS A 39 -2.613 -6.255 -17.821 1.00 55.11 H new ATOM 0 HG2 LYS A 39 -4.634 -6.818 -18.640 1.00 73.03 H new ATOM 0 HG3 LYS A 39 -4.727 -8.257 -17.644 1.00 73.03 H new ATOM 0 HD2 LYS A 39 -5.125 -5.572 -16.336 1.00 71.52 H new ATOM 0 HD3 LYS A 39 -6.425 -6.231 -17.309 1.00 71.52 H new ATOM 0 HE2 LYS A 39 -7.009 -7.217 -15.325 1.00 61.32 H new ATOM 0 HE3 LYS A 39 -5.873 -8.439 -15.862 1.00 61.32 H new ATOM 0 HZ1 LYS A 39 -5.525 -7.680 -13.549 1.00 10.31 H new ATOM 0 HZ2 LYS A 39 -4.155 -7.474 -14.531 1.00 10.31 H new ATOM 0 HZ3 LYS A 39 -5.122 -6.137 -14.132 1.00 10.31 H new ATOM 601 N LEU A 40 -0.947 -9.390 -18.687 1.00 4.10 N ATOM 602 CA LEU A 40 0.067 -9.527 -19.728 1.00 15.13 C ATOM 603 C LEU A 40 -0.406 -10.474 -20.826 1.00 24.21 C ATOM 604 O LEU A 40 -1.234 -11.355 -20.589 1.00 4.52 O ATOM 605 CB LEU A 40 1.377 -10.037 -19.127 1.00 24.42 C ATOM 606 CG LEU A 40 2.029 -9.138 -18.075 1.00 71.35 C ATOM 607 CD1 LEU A 40 1.620 -9.571 -16.676 1.00 25.11 C ATOM 608 CD2 LEU A 40 3.543 -9.158 -18.221 1.00 65.42 C ATOM 0 H LEU A 40 -1.441 -10.254 -18.463 1.00 4.10 H new ATOM 0 HA LEU A 40 0.236 -8.545 -20.169 1.00 15.13 H new ATOM 0 HB2 LEU A 40 1.192 -11.013 -18.677 1.00 24.42 H new ATOM 0 HB3 LEU A 40 2.090 -10.190 -19.937 1.00 24.42 H new ATOM 0 HG LEU A 40 1.683 -8.116 -18.232 1.00 71.35 H new ATOM 0 HD11 LEU A 40 2.093 -8.920 -15.941 1.00 25.11 H new ATOM 0 HD12 LEU A 40 0.537 -9.503 -16.576 1.00 25.11 H new ATOM 0 HD13 LEU A 40 1.936 -10.600 -16.507 1.00 25.11 H new ATOM 0 HD21 LEU A 40 3.990 -8.513 -17.465 1.00 65.42 H new ATOM 0 HD22 LEU A 40 3.908 -10.177 -18.091 1.00 65.42 H new ATOM 0 HD23 LEU A 40 3.818 -8.798 -19.213 1.00 65.42 H new ATOM 620 N THR A 41 0.128 -10.289 -22.030 1.00 31.54 N ATOM 621 CA THR A 41 -0.238 -11.128 -23.164 1.00 44.45 C ATOM 622 C THR A 41 0.936 -11.991 -23.611 1.00 25.43 C ATOM 623 O THR A 41 2.096 -11.628 -23.415 1.00 44.14 O ATOM 624 CB THR A 41 -0.719 -10.280 -24.357 1.00 50.20 C ATOM 625 OG1 THR A 41 0.342 -9.436 -24.819 1.00 21.44 O ATOM 626 CG2 THR A 41 -1.917 -9.428 -23.967 1.00 14.04 C ATOM 0 H THR A 41 0.815 -9.566 -22.244 1.00 31.54 H new ATOM 0 HA THR A 41 -1.053 -11.771 -22.831 1.00 44.45 H new ATOM 0 HB THR A 41 -1.019 -10.957 -25.157 1.00 50.20 H new ATOM 0 HG1 THR A 41 0.028 -8.902 -25.578 1.00 21.44 H new ATOM 0 HG21 THR A 41 -2.239 -8.838 -24.825 1.00 14.04 H new ATOM 0 HG22 THR A 41 -2.733 -10.074 -23.644 1.00 14.04 H new ATOM 0 HG23 THR A 41 -1.639 -8.760 -23.152 1.00 14.04 H new ATOM 634 N ASP A 42 0.628 -13.136 -24.211 1.00 43.42 N ATOM 635 CA ASP A 42 1.659 -14.051 -24.687 1.00 51.13 C ATOM 636 C ASP A 42 2.658 -13.326 -25.584 1.00 13.21 C ATOM 637 O ASP A 42 3.840 -13.664 -25.611 1.00 64.33 O ATOM 638 CB ASP A 42 1.024 -15.216 -25.448 1.00 23.21 C ATOM 639 CG ASP A 42 0.723 -16.399 -24.549 1.00 24.22 C ATOM 640 OD1 ASP A 42 1.548 -16.692 -23.657 1.00 54.20 O ATOM 641 OD2 ASP A 42 -0.337 -17.032 -24.736 1.00 44.22 O ATOM 0 H ASP A 42 -0.327 -13.452 -24.379 1.00 43.42 H new ATOM 0 HA ASP A 42 2.193 -14.440 -23.820 1.00 51.13 H new ATOM 0 HB2 ASP A 42 0.101 -14.878 -25.920 1.00 23.21 H new ATOM 0 HB3 ASP A 42 1.694 -15.532 -26.248 1.00 23.21 H new ATOM 646 N GLU A 43 2.172 -12.328 -26.316 1.00 63.11 N ATOM 647 CA GLU A 43 3.023 -11.557 -27.215 1.00 60.11 C ATOM 648 C GLU A 43 4.017 -10.707 -26.428 1.00 55.14 C ATOM 649 O GLU A 43 5.170 -10.553 -26.829 1.00 13.42 O ATOM 650 CB GLU A 43 2.171 -10.662 -28.117 1.00 12.21 C ATOM 651 CG GLU A 43 2.618 -10.659 -29.569 1.00 52.41 C ATOM 652 CD GLU A 43 2.397 -9.319 -30.245 1.00 35.32 C ATOM 653 OE1 GLU A 43 3.033 -8.330 -29.825 1.00 74.12 O ATOM 654 OE2 GLU A 43 1.587 -9.261 -31.194 1.00 13.02 O ATOM 0 H GLU A 43 1.195 -12.035 -26.304 1.00 63.11 H new ATOM 0 HA GLU A 43 3.582 -12.258 -27.835 1.00 60.11 H new ATOM 0 HB2 GLU A 43 1.133 -10.992 -28.066 1.00 12.21 H new ATOM 0 HB3 GLU A 43 2.201 -9.642 -27.734 1.00 12.21 H new ATOM 0 HG2 GLU A 43 3.676 -10.917 -29.620 1.00 52.41 H new ATOM 0 HG3 GLU A 43 2.075 -11.431 -30.114 1.00 52.41 H new ATOM 661 N GLU A 44 3.559 -10.158 -25.308 1.00 10.34 N ATOM 662 CA GLU A 44 4.407 -9.322 -24.466 1.00 21.03 C ATOM 663 C GLU A 44 5.509 -10.150 -23.811 1.00 33.41 C ATOM 664 O GLU A 44 6.623 -9.669 -23.603 1.00 74.10 O ATOM 665 CB GLU A 44 3.569 -8.627 -23.391 1.00 4.54 C ATOM 666 CG GLU A 44 3.318 -7.155 -23.673 1.00 13.14 C ATOM 667 CD GLU A 44 4.492 -6.277 -23.285 1.00 31.34 C ATOM 668 OE1 GLU A 44 5.577 -6.441 -23.880 1.00 4.45 O ATOM 669 OE2 GLU A 44 4.324 -5.427 -22.386 1.00 3.35 O ATOM 0 H GLU A 44 2.607 -10.277 -24.963 1.00 10.34 H new ATOM 0 HA GLU A 44 4.872 -8.566 -25.099 1.00 21.03 H new ATOM 0 HB2 GLU A 44 2.611 -9.140 -23.301 1.00 4.54 H new ATOM 0 HB3 GLU A 44 4.074 -8.723 -22.430 1.00 4.54 H new ATOM 0 HG2 GLU A 44 3.106 -7.023 -24.734 1.00 13.14 H new ATOM 0 HG3 GLU A 44 2.431 -6.831 -23.128 1.00 13.14 H new ATOM 676 N VAL A 45 5.189 -11.399 -23.487 1.00 72.43 N ATOM 677 CA VAL A 45 6.150 -12.296 -22.857 1.00 2.14 C ATOM 678 C VAL A 45 7.240 -12.712 -23.838 1.00 52.04 C ATOM 679 O VAL A 45 8.403 -12.862 -23.464 1.00 10.32 O ATOM 680 CB VAL A 45 5.462 -13.559 -22.305 1.00 41.30 C ATOM 681 CG1 VAL A 45 6.465 -14.436 -21.571 1.00 14.12 C ATOM 682 CG2 VAL A 45 4.305 -13.179 -21.393 1.00 70.22 C ATOM 0 H VAL A 45 4.271 -11.812 -23.651 1.00 72.43 H new ATOM 0 HA VAL A 45 6.600 -11.746 -22.031 1.00 2.14 H new ATOM 0 HB VAL A 45 5.062 -14.130 -23.143 1.00 41.30 H new ATOM 0 HG11 VAL A 45 5.961 -15.323 -21.188 1.00 14.12 H new ATOM 0 HG12 VAL A 45 7.257 -14.736 -22.257 1.00 14.12 H new ATOM 0 HG13 VAL A 45 6.897 -13.878 -20.741 1.00 14.12 H new ATOM 0 HG21 VAL A 45 3.830 -14.083 -21.012 1.00 70.22 H new ATOM 0 HG22 VAL A 45 4.679 -12.586 -20.558 1.00 70.22 H new ATOM 0 HG23 VAL A 45 3.576 -12.595 -21.955 1.00 70.22 H new ATOM 692 N ASP A 46 6.856 -12.897 -25.096 1.00 55.35 N ATOM 693 CA ASP A 46 7.800 -13.294 -26.134 1.00 21.20 C ATOM 694 C ASP A 46 8.981 -12.331 -26.191 1.00 45.33 C ATOM 695 O ASP A 46 10.137 -12.745 -26.106 1.00 72.41 O ATOM 696 CB ASP A 46 7.103 -13.348 -27.494 1.00 44.05 C ATOM 697 CG ASP A 46 7.538 -14.542 -28.321 1.00 23.22 C ATOM 698 OD1 ASP A 46 8.713 -14.949 -28.203 1.00 10.32 O ATOM 699 OD2 ASP A 46 6.704 -15.070 -29.086 1.00 42.03 O ATOM 0 H ASP A 46 5.897 -12.778 -25.422 1.00 55.35 H new ATOM 0 HA ASP A 46 8.176 -14.287 -25.888 1.00 21.20 H new ATOM 0 HB2 ASP A 46 6.024 -13.387 -27.345 1.00 44.05 H new ATOM 0 HB3 ASP A 46 7.316 -12.432 -28.045 1.00 44.05 H new ATOM 704 N GLU A 47 8.682 -11.044 -26.337 1.00 44.43 N ATOM 705 CA GLU A 47 9.721 -10.022 -26.408 1.00 74.21 C ATOM 706 C GLU A 47 10.530 -9.979 -25.115 1.00 64.04 C ATOM 707 O GLU A 47 11.714 -9.644 -25.123 1.00 44.44 O ATOM 708 CB GLU A 47 9.100 -8.650 -26.680 1.00 32.31 C ATOM 709 CG GLU A 47 9.811 -7.866 -27.770 1.00 13.33 C ATOM 710 CD GLU A 47 9.334 -6.429 -27.859 1.00 45.21 C ATOM 711 OE1 GLU A 47 8.112 -6.201 -27.740 1.00 62.15 O ATOM 712 OE2 GLU A 47 10.183 -5.533 -28.048 1.00 1.52 O ATOM 0 H GLU A 47 7.730 -10.684 -26.408 1.00 44.43 H new ATOM 0 HA GLU A 47 10.392 -10.278 -27.228 1.00 74.21 H new ATOM 0 HB2 GLU A 47 8.055 -8.783 -26.962 1.00 32.31 H new ATOM 0 HB3 GLU A 47 9.110 -8.067 -25.759 1.00 32.31 H new ATOM 0 HG2 GLU A 47 10.884 -7.878 -27.580 1.00 13.33 H new ATOM 0 HG3 GLU A 47 9.652 -8.358 -28.729 1.00 13.33 H new ATOM 719 N MET A 48 9.882 -10.320 -24.006 1.00 63.45 N ATOM 720 CA MET A 48 10.542 -10.321 -22.706 1.00 31.31 C ATOM 721 C MET A 48 11.727 -11.282 -22.698 1.00 41.41 C ATOM 722 O MET A 48 12.758 -11.005 -22.084 1.00 40.52 O ATOM 723 CB MET A 48 9.550 -10.708 -21.607 1.00 71.23 C ATOM 724 CG MET A 48 9.334 -9.617 -20.572 1.00 1.35 C ATOM 725 SD MET A 48 10.853 -9.165 -19.712 1.00 43.41 S ATOM 726 CE MET A 48 10.459 -9.668 -18.039 1.00 72.42 C ATOM 0 H MET A 48 8.901 -10.599 -23.982 1.00 63.45 H new ATOM 0 HA MET A 48 10.912 -9.314 -22.514 1.00 31.31 H new ATOM 0 HB2 MET A 48 8.593 -10.958 -22.065 1.00 71.23 H new ATOM 0 HB3 MET A 48 9.908 -11.607 -21.106 1.00 71.23 H new ATOM 0 HG2 MET A 48 8.921 -8.734 -21.061 1.00 1.35 H new ATOM 0 HG3 MET A 48 8.595 -9.953 -19.844 1.00 1.35 H new ATOM 0 HE1 MET A 48 10.386 -8.787 -17.402 1.00 72.42 H new ATOM 0 HE2 MET A 48 9.508 -10.200 -18.033 1.00 72.42 H new ATOM 0 HE3 MET A 48 11.244 -10.324 -17.662 1.00 72.42 H new ATOM 736 N ILE A 49 11.573 -12.410 -23.383 1.00 1.05 N ATOM 737 CA ILE A 49 12.631 -13.410 -23.454 1.00 43.23 C ATOM 738 C ILE A 49 13.804 -12.911 -24.292 1.00 55.51 C ATOM 739 O ILE A 49 14.939 -13.351 -24.114 1.00 22.02 O ATOM 740 CB ILE A 49 12.116 -14.733 -24.050 1.00 71.21 C ATOM 741 CG1 ILE A 49 10.873 -15.208 -23.294 1.00 63.34 C ATOM 742 CG2 ILE A 49 13.206 -15.793 -24.007 1.00 62.42 C ATOM 743 CD1 ILE A 49 10.205 -16.409 -23.925 1.00 73.55 C ATOM 0 H ILE A 49 10.726 -12.654 -23.896 1.00 1.05 H new ATOM 0 HA ILE A 49 12.966 -13.587 -22.432 1.00 43.23 H new ATOM 0 HB ILE A 49 11.842 -14.563 -25.091 1.00 71.21 H new ATOM 0 HG12 ILE A 49 11.153 -15.454 -22.270 1.00 63.34 H new ATOM 0 HG13 ILE A 49 10.155 -14.389 -23.240 1.00 63.34 H new ATOM 0 HG21 ILE A 49 12.827 -16.722 -24.432 1.00 62.42 H new ATOM 0 HG22 ILE A 49 14.066 -15.454 -24.585 1.00 62.42 H new ATOM 0 HG23 ILE A 49 13.508 -15.963 -22.973 1.00 62.42 H new ATOM 0 HD11 ILE A 49 9.332 -16.691 -23.337 1.00 73.55 H new ATOM 0 HD12 ILE A 49 9.894 -16.161 -24.940 1.00 73.55 H new ATOM 0 HD13 ILE A 49 10.907 -17.242 -23.954 1.00 73.55 H new ATOM 755 N ARG A 50 13.520 -11.987 -25.205 1.00 63.21 N ATOM 756 CA ARG A 50 14.551 -11.427 -26.070 1.00 43.14 C ATOM 757 C ARG A 50 15.630 -10.727 -25.248 1.00 73.24 C ATOM 758 O ARG A 50 16.821 -10.874 -25.518 1.00 23.34 O ATOM 759 CB ARG A 50 13.933 -10.442 -27.064 1.00 40.03 C ATOM 760 CG ARG A 50 14.780 -10.218 -28.307 1.00 35.43 C ATOM 761 CD ARG A 50 13.970 -9.582 -29.425 1.00 53.14 C ATOM 762 NE ARG A 50 13.764 -10.500 -30.543 1.00 1.43 N ATOM 763 CZ ARG A 50 13.336 -10.115 -31.740 1.00 70.51 C ATOM 764 NH1 ARG A 50 13.070 -8.838 -31.974 1.00 41.22 N ATOM 765 NH2 ARG A 50 13.174 -11.010 -32.706 1.00 75.24 N ATOM 0 H ARG A 50 12.585 -11.611 -25.364 1.00 63.21 H new ATOM 0 HA ARG A 50 15.013 -12.247 -26.620 1.00 43.14 H new ATOM 0 HB2 ARG A 50 12.952 -10.810 -27.365 1.00 40.03 H new ATOM 0 HB3 ARG A 50 13.776 -9.486 -26.565 1.00 40.03 H new ATOM 0 HG2 ARG A 50 15.627 -9.578 -28.061 1.00 35.43 H new ATOM 0 HG3 ARG A 50 15.188 -11.170 -28.647 1.00 35.43 H new ATOM 0 HD2 ARG A 50 13.003 -9.262 -29.036 1.00 53.14 H new ATOM 0 HD3 ARG A 50 14.482 -8.688 -29.780 1.00 53.14 H new ATOM 0 HE ARG A 50 13.959 -11.490 -30.396 1.00 1.43 H new ATOM 0 HH11 ARG A 50 13.194 -8.147 -31.234 1.00 41.22 H new ATOM 0 HH12 ARG A 50 12.742 -8.546 -32.894 1.00 41.22 H new ATOM 0 HH21 ARG A 50 13.378 -11.994 -32.529 1.00 75.24 H new ATOM 0 HH22 ARG A 50 12.845 -10.714 -33.625 1.00 75.24 H new ATOM 779 N GLU A 51 15.202 -9.966 -24.246 1.00 51.21 N ATOM 780 CA GLU A 51 16.131 -9.243 -23.386 1.00 45.44 C ATOM 781 C GLU A 51 16.699 -10.159 -22.306 1.00 50.02 C ATOM 782 O GLU A 51 17.833 -9.984 -21.862 1.00 1.11 O ATOM 783 CB GLU A 51 15.435 -8.044 -22.739 1.00 50.32 C ATOM 784 CG GLU A 51 15.580 -6.755 -23.531 1.00 71.13 C ATOM 785 CD GLU A 51 15.539 -5.521 -22.651 1.00 30.33 C ATOM 786 OE1 GLU A 51 14.773 -5.520 -21.665 1.00 33.52 O ATOM 787 OE2 GLU A 51 16.274 -4.556 -22.948 1.00 21.40 O ATOM 0 H GLU A 51 14.218 -9.834 -24.010 1.00 51.21 H new ATOM 0 HA GLU A 51 16.954 -8.886 -24.004 1.00 45.44 H new ATOM 0 HB2 GLU A 51 14.375 -8.270 -22.620 1.00 50.32 H new ATOM 0 HB3 GLU A 51 15.843 -7.894 -21.739 1.00 50.32 H new ATOM 0 HG2 GLU A 51 16.522 -6.774 -24.080 1.00 71.13 H new ATOM 0 HG3 GLU A 51 14.781 -6.696 -24.271 1.00 71.13 H new ATOM 794 N ALA A 52 15.901 -11.136 -21.888 1.00 70.14 N ATOM 795 CA ALA A 52 16.323 -12.081 -20.862 1.00 22.00 C ATOM 796 C ALA A 52 16.881 -13.356 -21.486 1.00 4.25 C ATOM 797 O ALA A 52 16.803 -14.433 -20.895 1.00 33.13 O ATOM 798 CB ALA A 52 15.161 -12.409 -19.936 1.00 40.03 C ATOM 0 H ALA A 52 14.958 -11.294 -22.244 1.00 70.14 H new ATOM 0 HA ALA A 52 17.117 -11.615 -20.279 1.00 22.00 H new ATOM 0 HB1 ALA A 52 15.491 -13.116 -19.175 1.00 40.03 H new ATOM 0 HB2 ALA A 52 14.810 -11.496 -19.455 1.00 40.03 H new ATOM 0 HB3 ALA A 52 14.349 -12.851 -20.514 1.00 40.03 H new ATOM 804 N ASP A 53 17.444 -13.226 -22.682 1.00 20.31 N ATOM 805 CA ASP A 53 18.016 -14.368 -23.386 1.00 31.44 C ATOM 806 C ASP A 53 18.679 -13.928 -24.687 1.00 23.31 C ATOM 807 O ASP A 53 18.019 -13.797 -25.718 1.00 11.42 O ATOM 808 CB ASP A 53 16.934 -15.409 -23.677 1.00 35.11 C ATOM 809 CG ASP A 53 17.485 -16.821 -23.723 1.00 11.45 C ATOM 810 OD1 ASP A 53 18.724 -16.974 -23.708 1.00 10.21 O ATOM 811 OD2 ASP A 53 16.677 -17.772 -23.774 1.00 23.12 O ATOM 0 H ASP A 53 17.517 -12.341 -23.184 1.00 20.31 H new ATOM 0 HA ASP A 53 18.776 -14.815 -22.745 1.00 31.44 H new ATOM 0 HB2 ASP A 53 16.161 -15.349 -22.911 1.00 35.11 H new ATOM 0 HB3 ASP A 53 16.458 -15.177 -24.630 1.00 35.11 H new ATOM 866 N GLY A 58 21.229 -19.475 -25.466 1.00 4.43 N ATOM 867 CA GLY A 58 19.845 -19.893 -25.342 1.00 23.03 C ATOM 868 C GLY A 58 19.476 -20.261 -23.918 1.00 62.24 C ATOM 869 O GLY A 58 18.618 -21.114 -23.695 1.00 21.53 O ATOM 0 HA2 GLY A 58 19.194 -19.090 -25.687 1.00 23.03 H new ATOM 0 HA3 GLY A 58 19.667 -20.749 -25.993 1.00 23.03 H new ATOM 873 N GLN A 59 20.127 -19.618 -22.955 1.00 11.44 N ATOM 874 CA GLN A 59 19.863 -19.885 -21.546 1.00 3.44 C ATOM 875 C GLN A 59 19.788 -18.586 -20.750 1.00 53.42 C ATOM 876 O GLN A 59 20.456 -17.605 -21.078 1.00 53.12 O ATOM 877 CB GLN A 59 20.951 -20.790 -20.964 1.00 54.03 C ATOM 878 CG GLN A 59 22.356 -20.231 -21.120 1.00 54.24 C ATOM 879 CD GLN A 59 23.423 -21.305 -21.048 1.00 74.21 C ATOM 880 OE1 GLN A 59 24.194 -21.494 -21.989 1.00 22.40 O ATOM 881 NE2 GLN A 59 23.472 -22.016 -19.928 1.00 24.14 N ATOM 0 H GLN A 59 20.841 -18.909 -23.124 1.00 11.44 H new ATOM 0 HA GLN A 59 18.900 -20.391 -21.473 1.00 3.44 H new ATOM 0 HB2 GLN A 59 20.749 -20.952 -19.905 1.00 54.03 H new ATOM 0 HB3 GLN A 59 20.900 -21.764 -21.451 1.00 54.03 H new ATOM 0 HG2 GLN A 59 22.432 -19.712 -22.075 1.00 54.24 H new ATOM 0 HG3 GLN A 59 22.537 -19.491 -20.340 1.00 54.24 H new ATOM 0 HE21 GLN A 59 22.813 -21.825 -19.173 1.00 24.14 H new ATOM 0 HE22 GLN A 59 24.169 -22.753 -19.822 1.00 24.14 H new ATOM 890 N VAL A 60 18.969 -18.585 -19.703 1.00 23.53 N ATOM 891 CA VAL A 60 18.807 -17.407 -18.860 1.00 33.13 C ATOM 892 C VAL A 60 19.636 -17.524 -17.585 1.00 75.45 C ATOM 893 O VAL A 60 19.550 -18.519 -16.867 1.00 31.12 O ATOM 894 CB VAL A 60 17.330 -17.188 -18.480 1.00 41.11 C ATOM 895 CG1 VAL A 60 17.165 -15.889 -17.705 1.00 71.43 C ATOM 896 CG2 VAL A 60 16.455 -17.191 -19.724 1.00 74.11 C ATOM 0 H VAL A 60 18.407 -19.387 -19.418 1.00 23.53 H new ATOM 0 HA VAL A 60 19.157 -16.553 -19.440 1.00 33.13 H new ATOM 0 HB VAL A 60 17.012 -18.009 -17.838 1.00 41.11 H new ATOM 0 HG11 VAL A 60 16.115 -15.751 -17.445 1.00 71.43 H new ATOM 0 HG12 VAL A 60 17.762 -15.931 -16.794 1.00 71.43 H new ATOM 0 HG13 VAL A 60 17.499 -15.053 -18.320 1.00 71.43 H new ATOM 0 HG21 VAL A 60 15.415 -17.035 -19.438 1.00 74.11 H new ATOM 0 HG22 VAL A 60 16.771 -16.391 -20.393 1.00 74.11 H new ATOM 0 HG23 VAL A 60 16.551 -18.149 -20.234 1.00 74.11 H new ATOM 906 N ASN A 61 20.438 -16.501 -17.312 1.00 12.24 N ATOM 907 CA ASN A 61 21.283 -16.489 -16.123 1.00 41.22 C ATOM 908 C ASN A 61 20.499 -16.015 -14.903 1.00 44.00 C ATOM 909 O ASN A 61 19.749 -15.041 -14.974 1.00 21.32 O ATOM 910 CB ASN A 61 22.498 -15.586 -16.345 1.00 41.32 C ATOM 911 CG ASN A 61 23.499 -15.673 -15.209 1.00 73.10 C ATOM 912 OD1 ASN A 61 23.367 -16.509 -14.314 1.00 44.44 O ATOM 913 ND2 ASN A 61 24.506 -14.808 -15.240 1.00 14.12 N ATOM 0 H ASN A 61 20.521 -15.670 -17.897 1.00 12.24 H new ATOM 0 HA ASN A 61 21.624 -17.508 -15.940 1.00 41.22 H new ATOM 0 HB2 ASN A 61 22.987 -15.863 -17.279 1.00 41.32 H new ATOM 0 HB3 ASN A 61 22.165 -14.554 -16.454 1.00 41.32 H new ATOM 0 HD21 ASN A 61 25.210 -14.819 -14.502 1.00 14.12 H new ATOM 0 HD22 ASN A 61 24.575 -14.133 -16.001 1.00 14.12 H new ATOM 920 N TYR A 62 20.679 -16.710 -13.785 1.00 44.42 N ATOM 921 CA TYR A 62 19.988 -16.361 -12.549 1.00 61.54 C ATOM 922 C TYR A 62 20.274 -14.916 -12.154 1.00 11.10 C ATOM 923 O TYR A 62 19.483 -14.285 -11.453 1.00 71.34 O ATOM 924 CB TYR A 62 20.411 -17.304 -11.421 1.00 51.31 C ATOM 925 CG TYR A 62 20.026 -16.811 -10.044 1.00 51.15 C ATOM 926 CD1 TYR A 62 18.693 -16.622 -9.700 1.00 23.21 C ATOM 927 CD2 TYR A 62 20.995 -16.535 -9.088 1.00 3.01 C ATOM 928 CE1 TYR A 62 18.337 -16.171 -8.444 1.00 23.44 C ATOM 929 CE2 TYR A 62 20.648 -16.085 -7.829 1.00 24.25 C ATOM 930 CZ TYR A 62 19.318 -15.905 -7.511 1.00 42.54 C ATOM 931 OH TYR A 62 18.968 -15.457 -6.258 1.00 54.34 O ATOM 0 H TYR A 62 21.297 -17.518 -13.709 1.00 44.42 H new ATOM 0 HA TYR A 62 18.916 -16.466 -12.719 1.00 61.54 H new ATOM 0 HB2 TYR A 62 19.959 -18.282 -11.587 1.00 51.31 H new ATOM 0 HB3 TYR A 62 21.492 -17.442 -11.460 1.00 51.31 H new ATOM 0 HD1 TYR A 62 17.922 -16.831 -10.427 1.00 23.21 H new ATOM 0 HD2 TYR A 62 22.037 -16.675 -9.333 1.00 3.01 H new ATOM 0 HE1 TYR A 62 17.296 -16.027 -8.194 1.00 23.44 H new ATOM 0 HE2 TYR A 62 21.414 -15.875 -7.097 1.00 24.25 H new ATOM 0 HH TYR A 62 19.777 -15.319 -5.722 1.00 54.34 H new ATOM 941 N GLU A 63 21.410 -14.398 -12.610 1.00 24.25 N ATOM 942 CA GLU A 63 21.801 -13.027 -12.303 1.00 63.24 C ATOM 943 C GLU A 63 20.969 -12.032 -13.107 1.00 45.14 C ATOM 944 O GLU A 63 20.410 -11.085 -12.555 1.00 4.54 O ATOM 945 CB GLU A 63 23.289 -12.820 -12.597 1.00 14.22 C ATOM 946 CG GLU A 63 24.189 -13.102 -11.406 1.00 30.02 C ATOM 947 CD GLU A 63 25.634 -13.325 -11.807 1.00 22.10 C ATOM 948 OE1 GLU A 63 25.872 -14.091 -12.764 1.00 71.14 O ATOM 949 OE2 GLU A 63 26.527 -12.735 -11.164 1.00 50.41 O ATOM 0 H GLU A 63 22.075 -14.906 -13.193 1.00 24.25 H new ATOM 0 HA GLU A 63 21.620 -12.853 -11.242 1.00 63.24 H new ATOM 0 HB2 GLU A 63 23.581 -13.467 -13.424 1.00 14.22 H new ATOM 0 HB3 GLU A 63 23.446 -11.793 -12.926 1.00 14.22 H new ATOM 0 HG2 GLU A 63 24.134 -12.267 -10.708 1.00 30.02 H new ATOM 0 HG3 GLU A 63 23.822 -13.982 -10.879 1.00 30.02 H new ATOM 956 N ASP A 64 20.893 -12.254 -14.415 1.00 3.01 N ATOM 957 CA ASP A 64 20.130 -11.378 -15.296 1.00 11.20 C ATOM 958 C ASP A 64 18.710 -11.185 -14.773 1.00 52.22 C ATOM 959 O ASP A 64 18.264 -10.057 -14.560 1.00 34.42 O ATOM 960 CB ASP A 64 20.091 -11.952 -16.713 1.00 23.30 C ATOM 961 CG ASP A 64 21.342 -11.624 -17.505 1.00 55.21 C ATOM 962 OD1 ASP A 64 22.420 -12.146 -17.154 1.00 40.20 O ATOM 963 OD2 ASP A 64 21.242 -10.844 -18.476 1.00 14.24 O ATOM 0 H ASP A 64 21.351 -13.033 -14.888 1.00 3.01 H new ATOM 0 HA ASP A 64 20.625 -10.407 -15.319 1.00 11.20 H new ATOM 0 HB2 ASP A 64 19.971 -13.034 -16.660 1.00 23.30 H new ATOM 0 HB3 ASP A 64 19.219 -11.560 -17.237 1.00 23.30 H new ATOM 968 N PHE A 65 18.004 -12.292 -14.570 1.00 20.32 N ATOM 969 CA PHE A 65 16.633 -12.245 -14.074 1.00 25.10 C ATOM 970 C PHE A 65 16.542 -11.397 -12.809 1.00 32.45 C ATOM 971 O PHE A 65 15.769 -10.441 -12.743 1.00 32.53 O ATOM 972 CB PHE A 65 16.122 -13.659 -13.792 1.00 74.33 C ATOM 973 CG PHE A 65 14.673 -13.852 -14.138 1.00 72.31 C ATOM 974 CD1 PHE A 65 14.286 -14.103 -15.445 1.00 3.11 C ATOM 975 CD2 PHE A 65 13.697 -13.784 -13.156 1.00 44.24 C ATOM 976 CE1 PHE A 65 12.954 -14.280 -15.766 1.00 33.12 C ATOM 977 CE2 PHE A 65 12.363 -13.961 -13.471 1.00 42.43 C ATOM 978 CZ PHE A 65 11.991 -14.210 -14.778 1.00 21.13 C ATOM 0 H PHE A 65 18.358 -13.233 -14.741 1.00 20.32 H new ATOM 0 HA PHE A 65 16.010 -11.788 -14.842 1.00 25.10 H new ATOM 0 HB2 PHE A 65 16.721 -14.373 -14.358 1.00 74.33 H new ATOM 0 HB3 PHE A 65 16.269 -13.886 -12.736 1.00 74.33 H new ATOM 0 HD1 PHE A 65 15.034 -14.161 -16.221 1.00 3.11 H new ATOM 0 HD2 PHE A 65 13.982 -13.590 -12.133 1.00 44.24 H new ATOM 0 HE1 PHE A 65 12.666 -14.473 -16.789 1.00 33.12 H new ATOM 0 HE2 PHE A 65 11.612 -13.905 -12.696 1.00 42.43 H new ATOM 0 HZ PHE A 65 10.949 -14.350 -15.027 1.00 21.13 H new ATOM 988 N VAL A 66 17.336 -11.755 -11.805 1.00 22.43 N ATOM 989 CA VAL A 66 17.346 -11.028 -10.541 1.00 21.51 C ATOM 990 C VAL A 66 17.702 -9.561 -10.753 1.00 65.55 C ATOM 991 O VAL A 66 17.339 -8.702 -9.951 1.00 22.42 O ATOM 992 CB VAL A 66 18.344 -11.649 -9.544 1.00 54.45 C ATOM 993 CG1 VAL A 66 18.378 -10.846 -8.253 1.00 54.41 C ATOM 994 CG2 VAL A 66 17.987 -13.102 -9.269 1.00 43.42 C ATOM 0 H VAL A 66 17.981 -12.544 -11.842 1.00 22.43 H new ATOM 0 HA VAL A 66 16.340 -11.098 -10.128 1.00 21.51 H new ATOM 0 HB VAL A 66 19.339 -11.621 -9.987 1.00 54.45 H new ATOM 0 HG11 VAL A 66 19.088 -11.299 -7.561 1.00 54.41 H new ATOM 0 HG12 VAL A 66 18.685 -9.823 -8.469 1.00 54.41 H new ATOM 0 HG13 VAL A 66 17.386 -10.840 -7.802 1.00 54.41 H new ATOM 0 HG21 VAL A 66 18.702 -13.525 -8.563 1.00 43.42 H new ATOM 0 HG22 VAL A 66 16.984 -13.156 -8.846 1.00 43.42 H new ATOM 0 HG23 VAL A 66 18.019 -13.667 -10.200 1.00 43.42 H new ATOM 1004 N GLN A 67 18.415 -9.283 -11.840 1.00 41.22 N ATOM 1005 CA GLN A 67 18.821 -7.919 -12.158 1.00 52.10 C ATOM 1006 C GLN A 67 17.612 -7.061 -12.516 1.00 51.20 C ATOM 1007 O GLN A 67 17.401 -5.996 -11.936 1.00 33.21 O ATOM 1008 CB GLN A 67 19.822 -7.918 -13.315 1.00 31.53 C ATOM 1009 CG GLN A 67 20.811 -6.765 -13.263 1.00 21.43 C ATOM 1010 CD GLN A 67 20.421 -5.620 -14.177 1.00 23.44 C ATOM 1011 OE1 GLN A 67 19.290 -5.552 -14.657 1.00 72.24 O ATOM 1012 NE2 GLN A 67 21.359 -4.712 -14.421 1.00 72.44 N ATOM 0 H GLN A 67 18.723 -9.983 -12.515 1.00 41.22 H new ATOM 0 HA GLN A 67 19.297 -7.494 -11.275 1.00 52.10 H new ATOM 0 HB2 GLN A 67 20.373 -8.859 -13.309 1.00 31.53 H new ATOM 0 HB3 GLN A 67 19.276 -7.875 -14.257 1.00 31.53 H new ATOM 0 HG2 GLN A 67 20.883 -6.399 -12.239 1.00 21.43 H new ATOM 0 HG3 GLN A 67 21.800 -7.127 -13.542 1.00 21.43 H new ATOM 0 HE21 GLN A 67 22.284 -4.808 -14.001 1.00 72.44 H new ATOM 0 HE22 GLN A 67 21.155 -3.918 -15.028 1.00 72.44 H new ATOM 1021 N MET A 68 16.822 -7.531 -13.475 1.00 73.44 N ATOM 1022 CA MET A 68 15.633 -6.807 -13.910 1.00 0.21 C ATOM 1023 C MET A 68 14.641 -6.651 -12.762 1.00 21.35 C ATOM 1024 O MET A 68 13.995 -5.613 -12.624 1.00 3.15 O ATOM 1025 CB MET A 68 14.967 -7.532 -15.080 1.00 74.52 C ATOM 1026 CG MET A 68 14.726 -6.643 -16.289 1.00 52.11 C ATOM 1027 SD MET A 68 13.322 -5.534 -16.067 1.00 14.13 S ATOM 1028 CE MET A 68 12.097 -6.325 -17.107 1.00 43.05 C ATOM 0 H MET A 68 16.983 -8.410 -13.966 1.00 73.44 H new ATOM 0 HA MET A 68 15.943 -5.814 -14.237 1.00 0.21 H new ATOM 0 HB2 MET A 68 15.592 -8.374 -15.378 1.00 74.52 H new ATOM 0 HB3 MET A 68 14.014 -7.944 -14.747 1.00 74.52 H new ATOM 0 HG2 MET A 68 15.622 -6.054 -16.486 1.00 52.11 H new ATOM 0 HG3 MET A 68 14.556 -7.267 -17.166 1.00 52.11 H new ATOM 0 HE1 MET A 68 11.112 -6.224 -16.651 1.00 43.05 H new ATOM 0 HE2 MET A 68 12.092 -5.851 -18.089 1.00 43.05 H new ATOM 0 HE3 MET A 68 12.340 -7.382 -17.216 1.00 43.05 H new ATOM 1038 N MET A 69 14.525 -7.690 -11.941 1.00 24.13 N ATOM 1039 CA MET A 69 13.612 -7.667 -10.804 1.00 22.31 C ATOM 1040 C MET A 69 13.928 -6.498 -9.876 1.00 72.05 C ATOM 1041 O MET A 69 13.047 -5.709 -9.533 1.00 10.03 O ATOM 1042 CB MET A 69 13.695 -8.984 -10.030 1.00 33.24 C ATOM 1043 CG MET A 69 13.150 -10.177 -10.799 1.00 45.32 C ATOM 1044 SD MET A 69 11.360 -10.114 -11.002 1.00 31.12 S ATOM 1045 CE MET A 69 11.224 -10.015 -12.785 1.00 42.11 C ATOM 0 H MET A 69 15.052 -8.558 -12.042 1.00 24.13 H new ATOM 0 HA MET A 69 12.599 -7.541 -11.186 1.00 22.31 H new ATOM 0 HB2 MET A 69 14.735 -9.176 -9.767 1.00 33.24 H new ATOM 0 HB3 MET A 69 13.143 -8.882 -9.095 1.00 33.24 H new ATOM 0 HG2 MET A 69 13.622 -10.218 -11.781 1.00 45.32 H new ATOM 0 HG3 MET A 69 13.420 -11.095 -10.277 1.00 45.32 H new ATOM 0 HE1 MET A 69 10.172 -9.969 -13.068 1.00 42.11 H new ATOM 0 HE2 MET A 69 11.734 -9.120 -13.140 1.00 42.11 H new ATOM 0 HE3 MET A 69 11.682 -10.896 -13.234 1.00 42.11 H new ATOM 1055 N THR A 70 15.190 -6.392 -9.474 1.00 3.14 N ATOM 1056 CA THR A 70 15.622 -5.320 -8.585 1.00 35.20 C ATOM 1057 C THR A 70 15.259 -3.954 -9.155 1.00 15.20 C ATOM 1058 O THR A 70 14.958 -3.021 -8.411 1.00 51.53 O ATOM 1059 CB THR A 70 17.141 -5.373 -8.337 1.00 32.21 C ATOM 1060 OG1 THR A 70 17.566 -6.732 -8.188 1.00 72.52 O ATOM 1061 CG2 THR A 70 17.514 -4.581 -7.093 1.00 50.21 C ATOM 0 H THR A 70 15.932 -7.036 -9.750 1.00 3.14 H new ATOM 0 HA THR A 70 15.102 -5.466 -7.638 1.00 35.20 H new ATOM 0 HB THR A 70 17.643 -4.928 -9.196 1.00 32.21 H new ATOM 0 HG1 THR A 70 17.698 -7.132 -9.073 1.00 72.52 H new ATOM 0 HG21 THR A 70 18.592 -4.633 -6.938 1.00 50.21 H new ATOM 0 HG22 THR A 70 17.216 -3.541 -7.221 1.00 50.21 H new ATOM 0 HG23 THR A 70 17.002 -5.001 -6.227 1.00 50.21 H new ATOM 1069 N ALA A 71 15.288 -3.843 -10.479 1.00 72.41 N ATOM 1070 CA ALA A 71 14.959 -2.591 -11.149 1.00 30.13 C ATOM 1071 C ALA A 71 13.580 -2.091 -10.732 1.00 30.34 C ATOM 1072 O ALA A 71 13.455 -1.055 -10.079 1.00 12.21 O ATOM 1073 CB ALA A 71 15.024 -2.767 -12.659 1.00 23.04 C ATOM 0 H ALA A 71 15.536 -4.606 -11.109 1.00 72.41 H new ATOM 0 HA ALA A 71 15.694 -1.844 -10.849 1.00 30.13 H new ATOM 0 HB1 ALA A 71 14.776 -1.824 -13.146 1.00 23.04 H new ATOM 0 HB2 ALA A 71 16.031 -3.071 -12.947 1.00 23.04 H new ATOM 0 HB3 ALA A 71 14.312 -3.533 -12.967 1.00 23.04 H new