USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 14 LYS NZ :NH3+ 176:sc= 1.49 (180deg=1.34) USER MOD Set 1.2: A 82 THR OG1 : rot -101:sc= 1.02 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0.296 USER MOD Set 2.2: A 30 SER OG : rot 180:sc= 0.031 USER MOD Single : A 15 ASN : amide:sc= -0.0375 K(o=-0.038,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.36 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 28 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 33 HIS : +bothHN:sc= 1.01 K(o=1,f=-7.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.97) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.399 F(o=-1,f=-0.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 72 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0495 K(o=-0.05,f=-1.8!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0.382 USER MOD Single : A 78 THR OG1 : rot 75:sc= 1.28 USER MOD Single : A 81 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.3) USER MOD Single : A 84 GLN : amide:sc=-0.000539 K(o=-0.00054,f=-1.9!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= 0.72 F(o=-2.7!,f=0.72) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0676) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.948 -8.602 -9.556 1.00 23.43 N ATOM 61 CA GLY A 5 -5.633 -9.139 -9.856 1.00 45.33 C ATOM 62 C GLY A 5 -4.954 -8.228 -10.841 1.00 53.32 C ATOM 63 O GLY A 5 -3.881 -8.548 -11.356 1.00 61.31 O ATOM 0 HA2 GLY A 5 -5.041 -9.219 -8.945 1.00 45.33 H new ATOM 0 HA3 GLY A 5 -5.720 -10.144 -10.269 1.00 45.33 H new ATOM 67 N ASP A 6 -5.566 -7.062 -11.139 1.00 12.04 N ATOM 68 CA ASP A 6 -4.947 -6.123 -12.064 1.00 5.52 C ATOM 69 C ASP A 6 -3.964 -5.324 -11.268 1.00 31.54 C ATOM 70 O ASP A 6 -4.232 -4.971 -10.111 1.00 30.25 O ATOM 71 CB ASP A 6 -5.947 -5.146 -12.744 1.00 74.15 C ATOM 72 CG ASP A 6 -5.277 -4.405 -13.895 1.00 75.31 C ATOM 73 OD1 ASP A 6 -4.396 -4.994 -14.571 1.00 30.24 O ATOM 74 OD2 ASP A 6 -5.666 -3.254 -14.166 1.00 53.23 O ATOM 0 H ASP A 6 -6.464 -6.764 -10.758 1.00 12.04 H new ATOM 0 HA ASP A 6 -4.492 -6.696 -12.872 1.00 5.52 H new ATOM 0 HB2 ASP A 6 -6.810 -5.700 -13.115 1.00 74.15 H new ATOM 0 HB3 ASP A 6 -6.319 -4.430 -12.011 1.00 74.15 H new ATOM 79 N ILE A 7 -2.791 -5.080 -11.863 1.00 52.45 N ATOM 80 CA ILE A 7 -1.739 -4.360 -11.232 1.00 53.20 C ATOM 81 C ILE A 7 -1.874 -2.933 -11.701 1.00 65.43 C ATOM 82 O ILE A 7 -1.868 -2.671 -12.910 1.00 53.13 O ATOM 83 CB ILE A 7 -0.385 -4.894 -11.670 1.00 43.22 C ATOM 84 CG1 ILE A 7 -0.337 -6.441 -11.583 1.00 33.23 C ATOM 85 CG2 ILE A 7 0.729 -4.143 -10.926 1.00 60.51 C ATOM 86 CD1 ILE A 7 -0.488 -6.952 -10.199 1.00 33.25 C ATOM 0 H ILE A 7 -2.567 -5.391 -12.808 1.00 52.45 H new ATOM 0 HA ILE A 7 -1.803 -4.452 -10.148 1.00 53.20 H new ATOM 0 HB ILE A 7 -0.213 -4.693 -12.727 1.00 43.22 H new ATOM 0 HG12 ILE A 7 -1.128 -6.858 -12.206 1.00 33.23 H new ATOM 0 HG13 ILE A 7 0.610 -6.793 -11.992 1.00 33.23 H new ATOM 0 HG21 ILE A 7 1.699 -4.527 -11.241 1.00 60.51 H new ATOM 0 HG22 ILE A 7 0.667 -3.079 -11.156 1.00 60.51 H new ATOM 0 HG23 ILE A 7 0.612 -4.289 -9.852 1.00 60.51 H new ATOM 0 HD11 ILE A 7 -0.446 -8.041 -10.207 1.00 33.25 H new ATOM 0 HD12 ILE A 7 0.318 -6.562 -9.577 1.00 33.25 H new ATOM 0 HD13 ILE A 7 -1.447 -6.629 -9.795 1.00 33.25 H new ATOM 98 N PHE A 8 -2.025 -1.981 -10.772 1.00 74.13 N ATOM 99 CA PHE A 8 -2.236 -0.608 -11.178 1.00 33.03 C ATOM 100 C PHE A 8 -1.394 0.271 -10.319 1.00 41.41 C ATOM 101 O PHE A 8 -0.994 -0.109 -9.224 1.00 33.41 O ATOM 102 CB PHE A 8 -3.736 -0.104 -11.174 1.00 23.13 C ATOM 103 CG PHE A 8 -4.425 -0.332 -9.831 1.00 4.04 C ATOM 104 CD1 PHE A 8 -4.709 -1.643 -9.361 1.00 54.34 C ATOM 105 CD2 PHE A 8 -4.861 0.771 -9.053 1.00 74.45 C ATOM 106 CE1 PHE A 8 -5.393 -1.837 -8.146 1.00 5.30 C ATOM 107 CE2 PHE A 8 -5.551 0.568 -7.837 1.00 40.55 C ATOM 108 CZ PHE A 8 -5.815 -0.731 -7.388 1.00 74.33 C ATOM 0 H PHE A 8 -2.004 -2.140 -9.765 1.00 74.13 H new ATOM 0 HA PHE A 8 -1.947 -0.559 -12.228 1.00 33.03 H new ATOM 0 HB2 PHE A 8 -3.760 0.959 -11.415 1.00 23.13 H new ATOM 0 HB3 PHE A 8 -4.292 -0.621 -11.956 1.00 23.13 H new ATOM 0 HD1 PHE A 8 -4.397 -2.499 -9.942 1.00 54.34 H new ATOM 0 HD2 PHE A 8 -4.663 1.777 -9.394 1.00 74.45 H new ATOM 0 HE1 PHE A 8 -5.594 -2.838 -7.795 1.00 5.30 H new ATOM 0 HE2 PHE A 8 -5.875 1.417 -7.253 1.00 40.55 H new ATOM 0 HZ PHE A 8 -6.343 -0.884 -6.459 1.00 74.33 H new ATOM 118 N GLU A 9 -1.093 1.472 -10.840 1.00 13.00 N ATOM 119 CA GLU A 9 -0.329 2.459 -10.119 1.00 60.34 C ATOM 120 C GLU A 9 -1.327 3.432 -9.658 1.00 74.22 C ATOM 121 O GLU A 9 -2.326 3.659 -10.343 1.00 11.53 O ATOM 122 CB GLU A 9 0.638 3.285 -11.026 1.00 74.43 C ATOM 123 CG GLU A 9 1.733 2.471 -11.721 1.00 13.12 C ATOM 124 CD GLU A 9 2.434 3.389 -12.690 1.00 43.14 C ATOM 125 OE1 GLU A 9 3.006 4.408 -12.238 1.00 15.52 O ATOM 126 OE2 GLU A 9 2.386 3.125 -13.899 1.00 4.04 O ATOM 0 H GLU A 9 -1.380 1.769 -11.773 1.00 13.00 H new ATOM 0 HA GLU A 9 0.260 1.953 -9.354 1.00 60.34 H new ATOM 0 HB2 GLU A 9 0.049 3.796 -11.787 1.00 74.43 H new ATOM 0 HB3 GLU A 9 1.111 4.056 -10.418 1.00 74.43 H new ATOM 0 HG2 GLU A 9 2.438 2.074 -10.990 1.00 13.12 H new ATOM 0 HG3 GLU A 9 1.302 1.617 -12.245 1.00 13.12 H new ATOM 133 N VAL A 10 -1.088 4.052 -8.507 1.00 21.10 N ATOM 134 CA VAL A 10 -1.904 5.142 -8.100 1.00 22.43 C ATOM 135 C VAL A 10 -0.986 6.163 -7.571 1.00 45.11 C ATOM 136 O VAL A 10 0.067 5.843 -7.008 1.00 1.05 O ATOM 137 CB VAL A 10 -2.922 4.809 -7.029 1.00 23.41 C ATOM 138 CG1 VAL A 10 -3.987 3.908 -7.658 1.00 12.53 C ATOM 139 CG2 VAL A 10 -2.202 4.161 -5.822 1.00 51.42 C ATOM 0 H VAL A 10 -0.339 3.806 -7.860 1.00 21.10 H new ATOM 0 HA VAL A 10 -2.486 5.466 -8.963 1.00 22.43 H new ATOM 0 HB VAL A 10 -3.421 5.699 -6.647 1.00 23.41 H new ATOM 0 HG11 VAL A 10 -4.735 3.651 -6.908 1.00 12.53 H new ATOM 0 HG12 VAL A 10 -4.466 4.433 -8.484 1.00 12.53 H new ATOM 0 HG13 VAL A 10 -3.519 2.997 -8.030 1.00 12.53 H new ATOM 0 HG21 VAL A 10 -2.932 3.920 -5.049 1.00 51.42 H new ATOM 0 HG22 VAL A 10 -1.701 3.249 -6.145 1.00 51.42 H new ATOM 0 HG23 VAL A 10 -1.466 4.857 -5.421 1.00 51.42 H new ATOM 149 N GLU A 11 -1.347 7.421 -7.757 1.00 43.44 N ATOM 150 CA GLU A 11 -0.680 8.484 -7.093 1.00 4.53 C ATOM 151 C GLU A 11 -1.616 8.904 -6.022 1.00 74.25 C ATOM 152 O GLU A 11 -2.769 9.275 -6.286 1.00 53.45 O ATOM 153 CB GLU A 11 -0.366 9.684 -7.996 1.00 71.41 C ATOM 154 CG GLU A 11 -1.554 10.188 -8.833 1.00 4.22 C ATOM 155 CD GLU A 11 -1.038 11.204 -9.796 1.00 12.25 C ATOM 156 OE1 GLU A 11 -0.166 10.843 -10.632 1.00 22.25 O ATOM 157 OE2 GLU A 11 -1.476 12.368 -9.720 1.00 70.43 O ATOM 0 H GLU A 11 -2.107 7.714 -8.371 1.00 43.44 H new ATOM 0 HA GLU A 11 0.290 8.141 -6.732 1.00 4.53 H new ATOM 0 HB2 GLU A 11 -0.003 10.503 -7.375 1.00 71.41 H new ATOM 0 HB3 GLU A 11 0.446 9.411 -8.670 1.00 71.41 H new ATOM 0 HG2 GLU A 11 -2.023 9.361 -9.366 1.00 4.22 H new ATOM 0 HG3 GLU A 11 -2.316 10.626 -8.189 1.00 4.22 H new ATOM 164 N LEU A 12 -1.180 8.776 -4.787 1.00 55.14 N ATOM 165 CA LEU A 12 -2.017 9.115 -3.682 1.00 50.24 C ATOM 166 C LEU A 12 -1.152 9.789 -2.726 1.00 13.41 C ATOM 167 O LEU A 12 -0.024 9.387 -2.508 1.00 3.55 O ATOM 168 CB LEU A 12 -2.658 7.888 -2.998 1.00 71.13 C ATOM 169 CG LEU A 12 -3.738 7.248 -3.883 1.00 24.22 C ATOM 170 CD1 LEU A 12 -4.117 5.867 -3.436 1.00 61.52 C ATOM 171 CD2 LEU A 12 -4.961 8.143 -4.035 1.00 74.05 C ATOM 0 H LEU A 12 -0.251 8.439 -4.535 1.00 55.14 H new ATOM 0 HA LEU A 12 -2.845 9.730 -4.034 1.00 50.24 H new ATOM 0 HB2 LEU A 12 -1.887 7.151 -2.774 1.00 71.13 H new ATOM 0 HB3 LEU A 12 -3.097 8.189 -2.047 1.00 71.13 H new ATOM 0 HG LEU A 12 -3.289 7.141 -4.870 1.00 24.22 H new ATOM 0 HD11 LEU A 12 -4.884 5.467 -4.100 1.00 61.52 H new ATOM 0 HD12 LEU A 12 -3.239 5.221 -3.465 1.00 61.52 H new ATOM 0 HD13 LEU A 12 -4.504 5.908 -2.418 1.00 61.52 H new ATOM 0 HD21 LEU A 12 -5.697 7.649 -4.669 1.00 74.05 H new ATOM 0 HD22 LEU A 12 -5.396 8.334 -3.054 1.00 74.05 H new ATOM 0 HD23 LEU A 12 -4.666 9.088 -4.491 1.00 74.05 H new ATOM 183 N ALA A 13 -1.644 10.879 -2.175 1.00 30.34 N ATOM 184 CA ALA A 13 -0.847 11.665 -1.284 1.00 15.11 C ATOM 185 C ALA A 13 -0.992 11.064 0.061 1.00 71.43 C ATOM 186 O ALA A 13 -1.980 10.398 0.347 1.00 10.44 O ATOM 187 CB ALA A 13 -1.284 13.140 -1.185 1.00 42.02 C ATOM 0 H ALA A 13 -2.588 11.232 -2.333 1.00 30.34 H new ATOM 0 HA ALA A 13 0.174 11.663 -1.665 1.00 15.11 H new ATOM 0 HB1 ALA A 13 -0.630 13.667 -0.490 1.00 42.02 H new ATOM 0 HB2 ALA A 13 -1.219 13.605 -2.169 1.00 42.02 H new ATOM 0 HB3 ALA A 13 -2.312 13.192 -0.826 1.00 42.02 H new ATOM 193 N LYS A 14 -0.011 11.312 0.948 1.00 72.31 N ATOM 194 CA LYS A 14 -0.216 10.977 2.358 1.00 42.33 C ATOM 195 C LYS A 14 -1.365 11.837 2.849 1.00 74.24 C ATOM 196 O LYS A 14 -2.241 11.355 3.543 1.00 41.41 O ATOM 197 CB LYS A 14 1.006 11.209 3.303 1.00 41.05 C ATOM 198 CG LYS A 14 2.018 10.035 3.358 1.00 54.20 C ATOM 199 CD LYS A 14 3.249 10.140 2.442 1.00 42.21 C ATOM 200 CE LYS A 14 4.244 11.241 2.873 1.00 21.43 C ATOM 201 NZ LYS A 14 5.575 11.050 2.241 1.00 12.41 N ATOM 0 H LYS A 14 0.893 11.726 0.722 1.00 72.31 H new ATOM 0 HA LYS A 14 -0.403 9.904 2.397 1.00 42.33 H new ATOM 0 HB2 LYS A 14 1.531 12.108 2.981 1.00 41.05 H new ATOM 0 HB3 LYS A 14 0.637 11.400 4.311 1.00 41.05 H new ATOM 0 HG2 LYS A 14 2.366 9.934 4.386 1.00 54.20 H new ATOM 0 HG3 LYS A 14 1.487 9.116 3.110 1.00 54.20 H new ATOM 0 HD2 LYS A 14 3.765 9.180 2.428 1.00 42.21 H new ATOM 0 HD3 LYS A 14 2.918 10.339 1.423 1.00 42.21 H new ATOM 0 HE2 LYS A 14 3.847 12.219 2.600 1.00 21.43 H new ATOM 0 HE3 LYS A 14 4.351 11.232 3.958 1.00 21.43 H new ATOM 0 HZ1 LYS A 14 6.198 11.842 2.497 1.00 12.41 H new ATOM 0 HZ2 LYS A 14 5.993 10.158 2.575 1.00 12.41 H new ATOM 0 HZ3 LYS A 14 5.467 11.015 1.207 1.00 12.41 H new ATOM 215 N ASN A 15 -1.372 13.116 2.411 1.00 31.31 N ATOM 216 CA ASN A 15 -2.399 14.099 2.775 1.00 31.04 C ATOM 217 C ASN A 15 -2.090 14.597 4.173 1.00 11.54 C ATOM 218 O ASN A 15 -2.207 13.863 5.149 1.00 61.31 O ATOM 219 CB ASN A 15 -3.878 13.589 2.668 1.00 43.34 C ATOM 220 CG ASN A 15 -4.848 14.770 2.686 1.00 52.35 C ATOM 221 OD1 ASN A 15 -4.945 15.495 3.668 1.00 72.34 O ATOM 222 ND2 ASN A 15 -5.595 14.971 1.583 1.00 44.21 N ATOM 0 H ASN A 15 -0.655 13.491 1.790 1.00 31.31 H new ATOM 0 HA ASN A 15 -2.351 14.905 2.042 1.00 31.04 H new ATOM 0 HB2 ASN A 15 -4.007 13.017 1.749 1.00 43.34 H new ATOM 0 HB3 ASN A 15 -4.099 12.916 3.496 1.00 43.34 H new ATOM 0 HD21 ASN A 15 -6.262 15.742 1.552 1.00 44.21 H new ATOM 0 HD22 ASN A 15 -5.494 14.352 0.779 1.00 44.21 H new ATOM 229 N ASP A 16 -1.620 15.876 4.269 1.00 42.31 N ATOM 230 CA ASP A 16 -1.130 16.484 5.534 1.00 73.40 C ATOM 231 C ASP A 16 -0.023 15.634 6.083 1.00 2.14 C ATOM 232 O ASP A 16 0.101 15.467 7.295 1.00 14.21 O ATOM 233 CB ASP A 16 -2.198 16.724 6.650 1.00 73.21 C ATOM 234 CG ASP A 16 -3.070 17.906 6.284 1.00 73.43 C ATOM 235 OD1 ASP A 16 -2.884 18.506 5.195 1.00 62.35 O ATOM 236 OD2 ASP A 16 -3.950 18.260 7.095 1.00 35.11 O ATOM 0 H ASP A 16 -1.572 16.509 3.471 1.00 42.31 H new ATOM 0 HA ASP A 16 -0.796 17.484 5.256 1.00 73.40 H new ATOM 0 HB2 ASP A 16 -2.813 15.833 6.775 1.00 73.21 H new ATOM 0 HB3 ASP A 16 -1.704 16.907 7.604 1.00 73.21 H new ATOM 241 N ASN A 17 0.834 15.122 5.153 1.00 53.42 N ATOM 242 CA ASN A 17 2.023 14.263 5.441 1.00 34.52 C ATOM 243 C ASN A 17 1.687 12.991 6.270 1.00 22.25 C ATOM 244 O ASN A 17 2.525 12.101 6.399 1.00 53.33 O ATOM 245 CB ASN A 17 3.173 15.049 6.154 1.00 42.41 C ATOM 246 CG ASN A 17 4.455 14.204 6.152 1.00 4.03 C ATOM 247 OD1 ASN A 17 5.010 13.890 5.087 1.00 12.35 O ATOM 248 ND2 ASN A 17 4.944 13.821 7.354 1.00 24.22 N ATOM 0 H ASN A 17 0.714 15.300 4.156 1.00 53.42 H new ATOM 0 HA ASN A 17 2.365 13.943 4.457 1.00 34.52 H new ATOM 0 HB2 ASN A 17 3.349 15.996 5.645 1.00 42.41 H new ATOM 0 HB3 ASN A 17 2.884 15.287 7.178 1.00 42.41 H new ATOM 0 HD21 ASN A 17 5.793 13.257 7.403 1.00 24.22 H new ATOM 0 HD22 ASN A 17 4.464 14.096 8.211 1.00 24.22 H new ATOM 255 N SER A 18 0.478 12.875 6.809 1.00 54.42 N ATOM 256 CA SER A 18 0.141 11.783 7.674 1.00 53.22 C ATOM 257 C SER A 18 -0.599 10.815 6.829 1.00 53.44 C ATOM 258 O SER A 18 -1.618 11.149 6.259 1.00 4.01 O ATOM 259 CB SER A 18 -0.775 12.216 8.852 1.00 75.43 C ATOM 260 OG SER A 18 -1.025 11.134 9.758 1.00 25.14 O ATOM 0 H SER A 18 -0.281 13.537 6.652 1.00 54.42 H new ATOM 0 HA SER A 18 1.048 11.371 8.115 1.00 53.22 H new ATOM 0 HB2 SER A 18 -0.309 13.041 9.391 1.00 75.43 H new ATOM 0 HB3 SER A 18 -1.722 12.587 8.459 1.00 75.43 H new ATOM 0 HG SER A 18 -1.603 11.444 10.486 1.00 25.14 H new ATOM 266 N LEU A 19 -0.080 9.581 6.717 1.00 14.32 N ATOM 267 CA LEU A 19 -0.710 8.591 5.891 1.00 54.10 C ATOM 268 C LEU A 19 -1.995 8.170 6.568 1.00 42.45 C ATOM 269 O LEU A 19 -3.067 8.303 5.992 1.00 14.13 O ATOM 270 CB LEU A 19 0.180 7.340 5.548 1.00 43.21 C ATOM 271 CG LEU A 19 1.037 6.729 6.702 1.00 25.43 C ATOM 272 CD1 LEU A 19 1.406 5.267 6.401 1.00 12.21 C ATOM 273 CD2 LEU A 19 2.303 7.567 7.045 1.00 34.04 C ATOM 0 H LEU A 19 0.767 9.267 7.191 1.00 14.32 H new ATOM 0 HA LEU A 19 -0.897 9.053 4.922 1.00 54.10 H new ATOM 0 HB2 LEU A 19 -0.474 6.557 5.163 1.00 43.21 H new ATOM 0 HB3 LEU A 19 0.855 7.619 4.739 1.00 43.21 H new ATOM 0 HG LEU A 19 0.408 6.755 7.592 1.00 25.43 H new ATOM 0 HD11 LEU A 19 2.003 4.866 7.221 1.00 12.21 H new ATOM 0 HD12 LEU A 19 0.496 4.677 6.292 1.00 12.21 H new ATOM 0 HD13 LEU A 19 1.982 5.220 5.477 1.00 12.21 H new ATOM 0 HD21 LEU A 19 2.851 7.084 7.855 1.00 34.04 H new ATOM 0 HD22 LEU A 19 2.943 7.636 6.165 1.00 34.04 H new ATOM 0 HD23 LEU A 19 2.004 8.568 7.356 1.00 34.04 H new ATOM 285 N GLY A 20 -1.923 7.700 7.835 1.00 24.30 N ATOM 286 CA GLY A 20 -3.133 7.415 8.592 1.00 11.12 C ATOM 287 C GLY A 20 -3.652 6.056 8.232 1.00 33.24 C ATOM 288 O GLY A 20 -4.634 5.594 8.792 1.00 63.23 O ATOM 0 H GLY A 20 -1.052 7.518 8.334 1.00 24.30 H new ATOM 0 HA2 GLY A 20 -2.923 7.462 9.661 1.00 11.12 H new ATOM 0 HA3 GLY A 20 -3.890 8.170 8.382 1.00 11.12 H new ATOM 292 N ILE A 21 -3.005 5.371 7.287 1.00 11.33 N ATOM 293 CA ILE A 21 -3.516 4.108 6.802 1.00 11.34 C ATOM 294 C ILE A 21 -2.960 3.058 7.755 1.00 24.13 C ATOM 295 O ILE A 21 -2.188 3.393 8.669 1.00 20.20 O ATOM 296 CB ILE A 21 -3.076 3.805 5.341 1.00 44.34 C ATOM 297 CG1 ILE A 21 -3.036 5.108 4.491 1.00 61.01 C ATOM 298 CG2 ILE A 21 -4.027 2.752 4.710 1.00 41.20 C ATOM 299 CD1 ILE A 21 -4.402 5.769 4.298 1.00 24.32 C ATOM 0 H ILE A 21 -2.134 5.675 6.852 1.00 11.33 H new ATOM 0 HA ILE A 21 -4.606 4.120 6.778 1.00 11.34 H new ATOM 0 HB ILE A 21 -2.067 3.394 5.357 1.00 44.34 H new ATOM 0 HG12 ILE A 21 -2.364 5.820 4.969 1.00 61.01 H new ATOM 0 HG13 ILE A 21 -2.614 4.878 3.513 1.00 61.01 H new ATOM 0 HG21 ILE A 21 -3.713 2.545 3.687 1.00 41.20 H new ATOM 0 HG22 ILE A 21 -3.991 1.832 5.294 1.00 41.20 H new ATOM 0 HG23 ILE A 21 -5.046 3.139 4.705 1.00 41.20 H new ATOM 0 HD11 ILE A 21 -4.288 6.670 3.695 1.00 24.32 H new ATOM 0 HD12 ILE A 21 -5.073 5.076 3.791 1.00 24.32 H new ATOM 0 HD13 ILE A 21 -4.819 6.033 5.270 1.00 24.32 H new ATOM 311 N CYS A 22 -3.337 1.786 7.578 1.00 62.34 N ATOM 312 CA CYS A 22 -2.740 0.744 8.387 1.00 61.10 C ATOM 313 C CYS A 22 -2.514 -0.356 7.431 1.00 71.00 C ATOM 314 O CYS A 22 -2.988 -0.312 6.301 1.00 12.52 O ATOM 315 CB CYS A 22 -3.710 0.153 9.464 1.00 62.31 C ATOM 316 SG CYS A 22 -4.428 1.403 10.589 1.00 72.42 S ATOM 0 H CYS A 22 -4.032 1.470 6.901 1.00 62.34 H new ATOM 0 HA CYS A 22 -1.867 1.145 8.902 1.00 61.10 H new ATOM 0 HB2 CYS A 22 -4.520 -0.373 8.958 1.00 62.31 H new ATOM 0 HB3 CYS A 22 -3.171 -0.586 10.056 1.00 62.31 H new ATOM 0 HG CYS A 22 -5.217 0.818 11.441 1.00 72.42 H new ATOM 321 N VAL A 23 -1.688 -1.321 7.824 1.00 34.44 N ATOM 322 CA VAL A 23 -1.294 -2.352 6.931 1.00 32.04 C ATOM 323 C VAL A 23 -1.105 -3.573 7.777 1.00 44.13 C ATOM 324 O VAL A 23 -1.166 -3.492 9.006 1.00 50.35 O ATOM 325 CB VAL A 23 0.006 -2.048 6.176 1.00 23.31 C ATOM 326 CG1 VAL A 23 -0.292 -1.004 5.072 1.00 72.14 C ATOM 327 CG2 VAL A 23 1.107 -1.579 7.172 1.00 32.24 C ATOM 0 H VAL A 23 -1.290 -1.392 8.760 1.00 34.44 H new ATOM 0 HA VAL A 23 -2.057 -2.471 6.162 1.00 32.04 H new ATOM 0 HB VAL A 23 0.391 -2.946 5.692 1.00 23.31 H new ATOM 0 HG11 VAL A 23 0.625 -0.779 4.527 1.00 72.14 H new ATOM 0 HG12 VAL A 23 -1.035 -1.406 4.382 1.00 72.14 H new ATOM 0 HG13 VAL A 23 -0.676 -0.092 5.528 1.00 72.14 H new ATOM 0 HG21 VAL A 23 2.026 -1.366 6.625 1.00 32.24 H new ATOM 0 HG22 VAL A 23 0.773 -0.677 7.685 1.00 32.24 H new ATOM 0 HG23 VAL A 23 1.294 -2.365 7.904 1.00 32.24 H new ATOM 337 N THR A 24 -0.892 -4.719 7.130 1.00 61.53 N ATOM 338 CA THR A 24 -0.662 -5.945 7.829 1.00 51.43 C ATOM 339 C THR A 24 -0.084 -6.887 6.805 1.00 63.42 C ATOM 340 O THR A 24 -0.054 -6.566 5.616 1.00 72.34 O ATOM 341 CB THR A 24 -1.938 -6.536 8.479 1.00 62.25 C ATOM 342 OG1 THR A 24 -1.656 -7.691 9.279 1.00 31.31 O ATOM 343 CG2 THR A 24 -2.997 -6.868 7.393 1.00 52.25 C ATOM 0 H THR A 24 -0.878 -4.805 6.114 1.00 61.53 H new ATOM 0 HA THR A 24 0.012 -5.778 8.669 1.00 51.43 H new ATOM 0 HB THR A 24 -2.341 -5.775 9.147 1.00 62.25 H new ATOM 0 HG1 THR A 24 -2.488 -8.029 9.670 1.00 31.31 H new ATOM 0 HG21 THR A 24 -3.887 -7.282 7.867 1.00 52.25 H new ATOM 0 HG22 THR A 24 -3.263 -5.959 6.854 1.00 52.25 H new ATOM 0 HG23 THR A 24 -2.586 -7.597 6.694 1.00 52.25 H new ATOM 351 N GLY A 25 0.404 -8.058 7.248 1.00 2.03 N ATOM 352 CA GLY A 25 0.988 -9.019 6.343 1.00 45.31 C ATOM 353 C GLY A 25 2.457 -8.756 6.309 1.00 52.02 C ATOM 354 O GLY A 25 3.016 -8.203 7.259 1.00 55.43 O ATOM 0 H GLY A 25 0.398 -8.346 8.226 1.00 2.03 H new ATOM 0 HA2 GLY A 25 0.787 -10.036 6.679 1.00 45.31 H new ATOM 0 HA3 GLY A 25 0.556 -8.921 5.347 1.00 45.31 H new ATOM 358 N GLY A 26 3.126 -9.133 5.199 1.00 21.12 N ATOM 359 CA GLY A 26 4.516 -8.792 5.034 1.00 3.30 C ATOM 360 C GLY A 26 5.312 -10.035 4.849 1.00 60.40 C ATOM 361 O GLY A 26 5.406 -10.559 3.760 1.00 2.01 O ATOM 0 H GLY A 26 2.718 -9.663 4.429 1.00 21.12 H new ATOM 0 HA2 GLY A 26 4.641 -8.136 4.173 1.00 3.30 H new ATOM 0 HA3 GLY A 26 4.873 -8.245 5.906 1.00 3.30 H new ATOM 365 N VAL A 27 5.950 -10.506 5.947 1.00 1.12 N ATOM 366 CA VAL A 27 7.070 -11.465 5.890 1.00 63.53 C ATOM 367 C VAL A 27 6.672 -12.871 5.416 1.00 53.21 C ATOM 368 O VAL A 27 7.422 -13.807 5.616 1.00 41.14 O ATOM 369 CB VAL A 27 7.836 -11.585 7.204 1.00 4.40 C ATOM 370 CG1 VAL A 27 9.343 -11.564 6.861 1.00 22.22 C ATOM 371 CG2 VAL A 27 7.398 -10.446 8.161 1.00 11.33 C ATOM 0 H VAL A 27 5.699 -10.229 6.896 1.00 1.12 H new ATOM 0 HA VAL A 27 7.726 -11.027 5.138 1.00 63.53 H new ATOM 0 HB VAL A 27 7.622 -12.516 7.729 1.00 4.40 H new ATOM 0 HG11 VAL A 27 9.926 -11.648 7.778 1.00 22.22 H new ATOM 0 HG12 VAL A 27 9.578 -12.401 6.203 1.00 22.22 H new ATOM 0 HG13 VAL A 27 9.589 -10.628 6.359 1.00 22.22 H new ATOM 0 HG21 VAL A 27 7.944 -10.530 9.101 1.00 11.33 H new ATOM 0 HG22 VAL A 27 7.613 -9.481 7.701 1.00 11.33 H new ATOM 0 HG23 VAL A 27 6.328 -10.525 8.355 1.00 11.33 H new ATOM 381 N ASN A 28 5.489 -13.022 4.801 1.00 2.12 N ATOM 382 CA ASN A 28 4.965 -14.325 4.295 1.00 0.24 C ATOM 383 C ASN A 28 4.279 -15.030 5.412 1.00 22.30 C ATOM 384 O ASN A 28 3.771 -16.152 5.248 1.00 51.40 O ATOM 385 CB ASN A 28 5.965 -15.290 3.587 1.00 22.12 C ATOM 386 CG ASN A 28 6.445 -14.645 2.295 1.00 11.12 C ATOM 387 OD1 ASN A 28 7.619 -14.287 2.160 1.00 4.12 O ATOM 388 ND2 ASN A 28 5.530 -14.489 1.313 1.00 11.12 N ATOM 0 H ASN A 28 4.854 -12.242 4.633 1.00 2.12 H new ATOM 0 HA ASN A 28 4.289 -14.046 3.487 1.00 0.24 H new ATOM 0 HB2 ASN A 28 6.812 -15.500 4.240 1.00 22.12 H new ATOM 0 HB3 ASN A 28 5.482 -16.244 3.375 1.00 22.12 H new ATOM 0 HD21 ASN A 28 5.801 -14.064 0.426 1.00 11.12 H new ATOM 0 HD22 ASN A 28 4.568 -14.796 1.458 1.00 11.12 H new ATOM 395 N THR A 29 4.161 -14.297 6.540 1.00 24.40 N ATOM 396 CA THR A 29 3.110 -14.418 7.562 1.00 54.44 C ATOM 397 C THR A 29 1.708 -14.584 6.874 1.00 54.41 C ATOM 398 O THR A 29 1.620 -14.871 5.715 1.00 63.34 O ATOM 399 CB THR A 29 3.134 -13.211 8.529 1.00 15.23 C ATOM 400 OG1 THR A 29 2.297 -13.398 9.672 1.00 5.24 O ATOM 401 CG2 THR A 29 2.743 -11.921 7.763 1.00 10.30 C ATOM 0 H THR A 29 4.835 -13.567 6.770 1.00 24.40 H new ATOM 0 HA THR A 29 3.302 -15.309 8.160 1.00 54.44 H new ATOM 0 HB THR A 29 4.151 -13.117 8.910 1.00 15.23 H new ATOM 0 HG1 THR A 29 2.351 -12.608 10.250 1.00 5.24 H new ATOM 0 HG21 THR A 29 2.761 -11.072 8.447 1.00 10.30 H new ATOM 0 HG22 THR A 29 3.452 -11.750 6.953 1.00 10.30 H new ATOM 0 HG23 THR A 29 1.741 -12.033 7.350 1.00 10.30 H new ATOM 409 N SER A 30 0.618 -14.467 7.654 1.00 63.35 N ATOM 410 CA SER A 30 -0.788 -14.716 7.241 1.00 31.00 C ATOM 411 C SER A 30 -1.084 -14.461 5.738 1.00 64.31 C ATOM 412 O SER A 30 -1.805 -15.234 5.109 1.00 22.41 O ATOM 413 CB SER A 30 -1.752 -13.866 8.079 1.00 4.12 C ATOM 414 OG SER A 30 -1.399 -13.993 9.463 1.00 43.23 O ATOM 0 H SER A 30 0.689 -14.185 8.632 1.00 63.35 H new ATOM 0 HA SER A 30 -0.941 -15.781 7.414 1.00 31.00 H new ATOM 0 HB2 SER A 30 -1.699 -12.822 7.771 1.00 4.12 H new ATOM 0 HB3 SER A 30 -2.779 -14.194 7.920 1.00 4.12 H new ATOM 0 HG SER A 30 -2.009 -13.452 10.007 1.00 43.23 H new ATOM 420 N VAL A 31 -0.534 -13.386 5.144 1.00 25.45 N ATOM 421 CA VAL A 31 -0.805 -13.094 3.758 1.00 55.30 C ATOM 422 C VAL A 31 0.147 -13.934 2.896 1.00 21.43 C ATOM 423 O VAL A 31 1.358 -14.006 3.145 1.00 4.33 O ATOM 424 CB VAL A 31 -0.653 -11.629 3.428 1.00 74.12 C ATOM 425 CG1 VAL A 31 -1.721 -10.860 4.240 1.00 31.31 C ATOM 426 CG2 VAL A 31 0.787 -11.167 3.747 1.00 74.54 C ATOM 0 H VAL A 31 0.089 -12.725 5.608 1.00 25.45 H new ATOM 0 HA VAL A 31 -1.845 -13.347 3.551 1.00 55.30 H new ATOM 0 HB VAL A 31 -0.810 -11.434 2.367 1.00 74.12 H new ATOM 0 HG11 VAL A 31 -1.642 -9.794 4.027 1.00 31.31 H new ATOM 0 HG12 VAL A 31 -2.714 -11.213 3.961 1.00 31.31 H new ATOM 0 HG13 VAL A 31 -1.561 -11.030 5.305 1.00 31.31 H new ATOM 0 HG21 VAL A 31 0.891 -10.109 3.507 1.00 74.54 H new ATOM 0 HG22 VAL A 31 0.992 -11.321 4.806 1.00 74.54 H new ATOM 0 HG23 VAL A 31 1.495 -11.745 3.153 1.00 74.54 H new ATOM 436 N ARG A 32 -0.398 -14.613 1.877 1.00 31.03 N ATOM 437 CA ARG A 32 0.392 -15.529 1.061 1.00 61.54 C ATOM 438 C ARG A 32 1.203 -14.723 0.091 1.00 53.43 C ATOM 439 O ARG A 32 2.370 -15.024 -0.153 1.00 60.24 O ATOM 440 CB ARG A 32 -0.489 -16.508 0.239 1.00 10.04 C ATOM 441 CG ARG A 32 -1.016 -17.717 1.041 1.00 0.43 C ATOM 442 CD ARG A 32 -1.875 -17.383 2.281 1.00 34.41 C ATOM 443 NE ARG A 32 -2.321 -18.688 2.879 1.00 73.05 N ATOM 444 CZ ARG A 32 -2.953 -18.756 4.110 1.00 43.04 C ATOM 445 NH1 ARG A 32 -3.099 -17.633 4.885 1.00 53.54 N ATOM 446 NH2 ARG A 32 -3.435 -19.950 4.551 1.00 54.43 N ATOM 0 H ARG A 32 -1.378 -14.542 1.604 1.00 31.03 H new ATOM 0 HA ARG A 32 1.014 -16.115 1.737 1.00 61.54 H new ATOM 0 HB2 ARG A 32 -1.338 -15.959 -0.168 1.00 10.04 H new ATOM 0 HB3 ARG A 32 0.090 -16.874 -0.609 1.00 10.04 H new ATOM 0 HG2 ARG A 32 -1.607 -18.342 0.372 1.00 0.43 H new ATOM 0 HG3 ARG A 32 -0.163 -18.313 1.364 1.00 0.43 H new ATOM 0 HD2 ARG A 32 -1.299 -16.806 3.004 1.00 34.41 H new ATOM 0 HD3 ARG A 32 -2.735 -16.775 2.001 1.00 34.41 H new ATOM 0 HE ARG A 32 -2.153 -19.551 2.362 1.00 73.05 H new ATOM 0 HH11 ARG A 32 -2.741 -16.736 4.556 1.00 53.54 H new ATOM 0 HH12 ARG A 32 -3.566 -17.695 5.790 1.00 53.54 H new ATOM 0 HH21 ARG A 32 -3.330 -20.786 3.976 1.00 54.43 H new ATOM 0 HH22 ARG A 32 -3.902 -20.009 5.456 1.00 54.43 H new ATOM 460 N HIS A 33 0.589 -13.658 -0.480 1.00 14.22 N ATOM 461 CA HIS A 33 1.223 -12.853 -1.543 1.00 24.13 C ATOM 462 C HIS A 33 2.462 -12.171 -0.974 1.00 43.24 C ATOM 463 O HIS A 33 3.348 -11.731 -1.709 1.00 61.31 O ATOM 464 CB HIS A 33 0.262 -11.761 -2.086 1.00 73.22 C ATOM 465 CG HIS A 33 0.607 -11.199 -3.453 1.00 72.12 C ATOM 466 ND1 HIS A 33 1.856 -10.756 -3.801 1.00 2.21 N ATOM 467 CD2 HIS A 33 -0.203 -10.951 -4.498 1.00 4.33 C ATOM 468 CE1 HIS A 33 1.787 -10.244 -5.031 1.00 41.52 C ATOM 469 NE2 HIS A 33 0.539 -10.349 -5.457 1.00 60.12 N ATOM 0 H HIS A 33 -0.344 -13.340 -0.219 1.00 14.22 H new ATOM 0 HA HIS A 33 1.483 -13.521 -2.364 1.00 24.13 H new ATOM 0 HB2 HIS A 33 -0.744 -12.178 -2.129 1.00 73.22 H new ATOM 0 HB3 HIS A 33 0.236 -10.938 -1.372 1.00 73.22 H new ATOM 0 HD1 HIS A 33 2.693 -10.809 -3.221 1.00 2.21 H new ATOM 0 HD2 HIS A 33 -1.255 -11.189 -4.561 1.00 4.33 H new ATOM 0 HE1 HIS A 33 2.610 -9.817 -5.585 1.00 41.52 H new ATOM 0 HE2 HIS A 33 0.192 -10.028 -6.361 1.00 60.12 H new ATOM 478 N GLY A 34 2.541 -12.094 0.369 1.00 71.20 N ATOM 479 CA GLY A 34 3.711 -11.542 1.044 1.00 52.32 C ATOM 480 C GLY A 34 3.737 -10.052 0.924 1.00 0.04 C ATOM 481 O GLY A 34 4.659 -9.415 1.376 1.00 55.44 O ATOM 0 H GLY A 34 1.804 -12.409 0.999 1.00 71.20 H new ATOM 0 HA2 GLY A 34 3.698 -11.827 2.096 1.00 52.32 H new ATOM 0 HA3 GLY A 34 4.619 -11.962 0.611 1.00 52.32 H new ATOM 485 N GLY A 35 2.724 -9.453 0.297 1.00 21.44 N ATOM 486 CA GLY A 35 2.679 -8.019 0.214 1.00 62.10 C ATOM 487 C GLY A 35 2.072 -7.540 1.479 1.00 34.15 C ATOM 488 O GLY A 35 1.642 -8.337 2.316 1.00 24.31 O ATOM 0 H GLY A 35 1.945 -9.939 -0.148 1.00 21.44 H new ATOM 0 HA2 GLY A 35 3.680 -7.607 0.084 1.00 62.10 H new ATOM 0 HA3 GLY A 35 2.089 -7.699 -0.645 1.00 62.10 H new ATOM 492 N ILE A 36 1.982 -6.220 1.625 1.00 33.53 N ATOM 493 CA ILE A 36 1.343 -5.658 2.696 1.00 33.11 C ATOM 494 C ILE A 36 -0.045 -5.493 2.248 1.00 40.21 C ATOM 495 O ILE A 36 -0.292 -5.144 1.087 1.00 73.51 O ATOM 496 CB ILE A 36 1.980 -4.352 3.099 1.00 35.41 C ATOM 497 CG1 ILE A 36 2.352 -4.418 4.539 1.00 65.20 C ATOM 498 CG2 ILE A 36 1.113 -3.115 2.736 1.00 23.40 C ATOM 499 CD1 ILE A 36 3.292 -5.555 4.896 1.00 44.25 C ATOM 0 H ILE A 36 2.373 -5.546 0.966 1.00 33.53 H new ATOM 0 HA ILE A 36 1.404 -6.277 3.591 1.00 33.11 H new ATOM 0 HB ILE A 36 2.891 -4.210 2.518 1.00 35.41 H new ATOM 0 HG12 ILE A 36 2.818 -3.475 4.824 1.00 65.20 H new ATOM 0 HG13 ILE A 36 1.443 -4.516 5.132 1.00 65.20 H new ATOM 0 HG21 ILE A 36 1.626 -2.206 3.052 1.00 23.40 H new ATOM 0 HG22 ILE A 36 0.954 -3.086 1.658 1.00 23.40 H new ATOM 0 HG23 ILE A 36 0.151 -3.184 3.243 1.00 23.40 H new ATOM 0 HD11 ILE A 36 3.509 -5.526 5.964 1.00 44.25 H new ATOM 0 HD12 ILE A 36 2.823 -6.507 4.647 1.00 44.25 H new ATOM 0 HD13 ILE A 36 4.220 -5.450 4.334 1.00 44.25 H new ATOM 511 N TYR A 37 -0.990 -5.824 3.099 1.00 11.20 N ATOM 512 CA TYR A 37 -2.377 -5.735 2.718 1.00 35.21 C ATOM 513 C TYR A 37 -2.870 -4.577 3.492 1.00 43.44 C ATOM 514 O TYR A 37 -2.363 -4.300 4.590 1.00 13.45 O ATOM 515 CB TYR A 37 -3.258 -6.969 3.120 1.00 41.45 C ATOM 516 CG TYR A 37 -3.019 -8.182 2.201 1.00 71.32 C ATOM 517 CD1 TYR A 37 -1.791 -8.394 1.495 1.00 53.25 C ATOM 518 CD2 TYR A 37 -4.038 -9.159 2.064 1.00 61.42 C ATOM 519 CE1 TYR A 37 -1.607 -9.532 0.697 1.00 2.43 C ATOM 520 CE2 TYR A 37 -3.837 -10.303 1.266 1.00 3.35 C ATOM 521 CZ TYR A 37 -2.623 -10.490 0.586 1.00 41.11 C ATOM 522 OH TYR A 37 -2.419 -11.644 -0.207 1.00 34.15 O ATOM 0 H TYR A 37 -0.824 -6.154 4.050 1.00 11.20 H new ATOM 0 HA TYR A 37 -2.447 -5.668 1.632 1.00 35.21 H new ATOM 0 HB2 TYR A 37 -3.040 -7.248 4.151 1.00 41.45 H new ATOM 0 HB3 TYR A 37 -4.311 -6.689 3.082 1.00 41.45 H new ATOM 0 HD1 TYR A 37 -0.996 -7.668 1.578 1.00 53.25 H new ATOM 0 HD2 TYR A 37 -4.979 -9.025 2.577 1.00 61.42 H new ATOM 0 HE1 TYR A 37 -0.677 -9.671 0.165 1.00 2.43 H new ATOM 0 HE2 TYR A 37 -4.621 -11.040 1.177 1.00 3.35 H new ATOM 0 HH TYR A 37 -3.220 -12.207 -0.177 1.00 34.15 H new ATOM 532 N VAL A 38 -3.843 -3.846 2.951 1.00 32.53 N ATOM 533 CA VAL A 38 -4.338 -2.693 3.622 1.00 21.44 C ATOM 534 C VAL A 38 -5.368 -3.182 4.616 1.00 63.15 C ATOM 535 O VAL A 38 -6.492 -3.544 4.270 1.00 45.15 O ATOM 536 CB VAL A 38 -4.961 -1.688 2.670 1.00 60.51 C ATOM 537 CG1 VAL A 38 -5.427 -0.467 3.472 1.00 31.43 C ATOM 538 CG2 VAL A 38 -3.897 -1.323 1.604 1.00 13.32 C ATOM 0 H VAL A 38 -4.288 -4.047 2.055 1.00 32.53 H new ATOM 0 HA VAL A 38 -3.515 -2.171 4.111 1.00 21.44 H new ATOM 0 HB VAL A 38 -5.834 -2.095 2.161 1.00 60.51 H new ATOM 0 HG11 VAL A 38 -5.876 0.262 2.797 1.00 31.43 H new ATOM 0 HG12 VAL A 38 -6.163 -0.778 4.213 1.00 31.43 H new ATOM 0 HG13 VAL A 38 -4.573 -0.016 3.977 1.00 31.43 H new ATOM 0 HG21 VAL A 38 -4.316 -0.601 0.904 1.00 13.32 H new ATOM 0 HG22 VAL A 38 -3.025 -0.890 2.094 1.00 13.32 H new ATOM 0 HG23 VAL A 38 -3.600 -2.222 1.064 1.00 13.32 H new ATOM 548 N LYS A 39 -4.943 -3.227 5.884 1.00 23.30 N ATOM 549 CA LYS A 39 -5.767 -3.744 6.956 1.00 63.12 C ATOM 550 C LYS A 39 -6.891 -2.786 7.266 1.00 25.33 C ATOM 551 O LYS A 39 -8.002 -3.205 7.594 1.00 75.21 O ATOM 552 CB LYS A 39 -4.963 -3.953 8.265 1.00 13.13 C ATOM 553 CG LYS A 39 -5.670 -4.867 9.278 1.00 14.54 C ATOM 554 CD LYS A 39 -4.970 -4.928 10.635 1.00 32.43 C ATOM 555 CE LYS A 39 -5.695 -5.816 11.664 1.00 23.43 C ATOM 556 NZ LYS A 39 -5.009 -5.755 12.967 1.00 5.30 N ATOM 0 H LYS A 39 -4.022 -2.906 6.183 1.00 23.30 H new ATOM 0 HA LYS A 39 -6.151 -4.704 6.610 1.00 63.12 H new ATOM 0 HB2 LYS A 39 -3.990 -4.379 8.020 1.00 13.13 H new ATOM 0 HB3 LYS A 39 -4.779 -2.984 8.728 1.00 13.13 H new ATOM 0 HG2 LYS A 39 -6.692 -4.516 9.421 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -5.733 -5.874 8.865 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -3.956 -5.303 10.495 1.00 32.43 H new ATOM 0 HD3 LYS A 39 -4.884 -3.918 11.036 1.00 32.43 H new ATOM 0 HE2 LYS A 39 -6.728 -5.487 11.774 1.00 23.43 H new ATOM 0 HE3 LYS A 39 -5.724 -6.846 11.309 1.00 23.43 H new ATOM 0 HZ1 LYS A 39 -5.509 -6.358 13.651 1.00 5.30 H new ATOM 0 HZ2 LYS A 39 -4.030 -6.090 12.860 1.00 5.30 H new ATOM 0 HZ3 LYS A 39 -5.003 -4.773 13.311 1.00 5.30 H new ATOM 570 N ALA A 40 -6.633 -1.485 7.182 1.00 74.12 N ATOM 571 CA ALA A 40 -7.624 -0.536 7.610 1.00 41.45 C ATOM 572 C ALA A 40 -7.320 0.706 6.913 1.00 51.24 C ATOM 573 O ALA A 40 -6.154 0.982 6.617 1.00 22.23 O ATOM 574 CB ALA A 40 -7.587 -0.229 9.118 1.00 3.42 C ATOM 0 H ALA A 40 -5.765 -1.082 6.829 1.00 74.12 H new ATOM 0 HA ALA A 40 -8.607 -0.954 7.393 1.00 41.45 H new ATOM 0 HB1 ALA A 40 -8.365 0.495 9.361 1.00 3.42 H new ATOM 0 HB2 ALA A 40 -7.757 -1.147 9.680 1.00 3.42 H new ATOM 0 HB3 ALA A 40 -6.613 0.183 9.382 1.00 3.42 H new ATOM 580 N VAL A 41 -8.360 1.505 6.615 1.00 75.44 N ATOM 581 CA VAL A 41 -8.163 2.783 6.032 1.00 65.44 C ATOM 582 C VAL A 41 -9.050 3.689 6.838 1.00 64.14 C ATOM 583 O VAL A 41 -10.193 3.316 7.161 1.00 30.32 O ATOM 584 CB VAL A 41 -8.613 2.866 4.561 1.00 3.41 C ATOM 585 CG1 VAL A 41 -8.010 4.134 3.926 1.00 52.43 C ATOM 586 CG2 VAL A 41 -8.166 1.589 3.831 1.00 31.41 C ATOM 0 H VAL A 41 -9.336 1.260 6.780 1.00 75.44 H new ATOM 0 HA VAL A 41 -7.103 3.036 6.040 1.00 65.44 H new ATOM 0 HB VAL A 41 -9.698 2.935 4.485 1.00 3.41 H new ATOM 0 HG11 VAL A 41 -8.322 4.203 2.884 1.00 52.43 H new ATOM 0 HG12 VAL A 41 -8.358 5.013 4.468 1.00 52.43 H new ATOM 0 HG13 VAL A 41 -6.922 4.084 3.976 1.00 52.43 H new ATOM 0 HG21 VAL A 41 -8.480 1.637 2.788 1.00 31.41 H new ATOM 0 HG22 VAL A 41 -7.080 1.503 3.880 1.00 31.41 H new ATOM 0 HG23 VAL A 41 -8.621 0.720 4.307 1.00 31.41 H new ATOM 596 N ILE A 42 -8.550 4.883 7.176 1.00 65.15 N ATOM 597 CA ILE A 42 -9.353 5.902 7.834 1.00 74.02 C ATOM 598 C ILE A 42 -10.180 6.544 6.739 1.00 42.43 C ATOM 599 O ILE A 42 -9.811 6.483 5.563 1.00 42.25 O ATOM 600 CB ILE A 42 -8.525 6.970 8.604 1.00 33.04 C ATOM 601 CG1 ILE A 42 -7.742 7.956 7.679 1.00 4.41 C ATOM 602 CG2 ILE A 42 -7.627 6.225 9.598 1.00 60.23 C ATOM 603 CD1 ILE A 42 -6.798 7.291 6.708 1.00 62.41 C ATOM 0 H ILE A 42 -7.585 5.162 7.000 1.00 65.15 H new ATOM 0 HA ILE A 42 -9.965 5.436 8.607 1.00 74.02 H new ATOM 0 HB ILE A 42 -9.204 7.633 9.141 1.00 33.04 H new ATOM 0 HG12 ILE A 42 -8.460 8.553 7.116 1.00 4.41 H new ATOM 0 HG13 ILE A 42 -7.174 8.645 8.303 1.00 4.41 H new ATOM 0 HG21 ILE A 42 -7.029 6.944 10.158 1.00 60.23 H new ATOM 0 HG22 ILE A 42 -8.246 5.652 10.288 1.00 60.23 H new ATOM 0 HG23 ILE A 42 -6.966 5.549 9.055 1.00 60.23 H new ATOM 0 HD11 ILE A 42 -6.298 8.051 6.108 1.00 62.41 H new ATOM 0 HD12 ILE A 42 -6.053 6.717 7.260 1.00 62.41 H new ATOM 0 HD13 ILE A 42 -7.359 6.623 6.054 1.00 62.41 H new ATOM 615 N PRO A 43 -11.333 7.138 7.085 1.00 15.41 N ATOM 616 CA PRO A 43 -12.156 7.808 6.100 1.00 3.41 C ATOM 617 C PRO A 43 -11.466 9.058 5.792 1.00 41.31 C ATOM 618 O PRO A 43 -10.542 9.410 6.530 1.00 21.23 O ATOM 619 CB PRO A 43 -13.424 8.162 6.860 1.00 10.33 C ATOM 620 CG PRO A 43 -12.898 8.434 8.262 1.00 53.34 C ATOM 621 CD PRO A 43 -11.877 7.287 8.447 1.00 61.43 C ATOM 0 HA PRO A 43 -12.348 7.226 5.199 1.00 3.41 H new ATOM 0 HB2 PRO A 43 -13.922 9.034 6.436 1.00 10.33 H new ATOM 0 HB3 PRO A 43 -14.146 7.346 6.848 1.00 10.33 H new ATOM 0 HG2 PRO A 43 -12.429 9.415 8.339 1.00 53.34 H new ATOM 0 HG3 PRO A 43 -13.691 8.400 9.009 1.00 53.34 H new ATOM 0 HD2 PRO A 43 -11.102 7.543 9.170 1.00 61.43 H new ATOM 0 HD3 PRO A 43 -12.352 6.371 8.799 1.00 61.43 H new ATOM 629 N GLN A 44 -11.930 9.786 4.786 1.00 61.22 N ATOM 630 CA GLN A 44 -11.532 11.168 4.610 1.00 4.40 C ATOM 631 C GLN A 44 -10.039 11.303 4.297 1.00 64.33 C ATOM 632 O GLN A 44 -9.541 12.406 4.080 1.00 61.31 O ATOM 633 CB GLN A 44 -11.921 12.027 5.847 1.00 42.41 C ATOM 634 CG GLN A 44 -13.434 12.241 5.964 1.00 34.42 C ATOM 635 CD GLN A 44 -13.705 12.926 7.287 1.00 34.25 C ATOM 636 OE1 GLN A 44 -14.351 12.363 8.164 1.00 51.51 O ATOM 637 NE2 GLN A 44 -13.206 14.149 7.451 1.00 74.45 N ATOM 0 H GLN A 44 -12.582 9.439 4.082 1.00 61.22 H new ATOM 0 HA GLN A 44 -12.078 11.548 3.746 1.00 4.40 H new ATOM 0 HB2 GLN A 44 -11.556 11.541 6.752 1.00 42.41 H new ATOM 0 HB3 GLN A 44 -11.425 12.995 5.783 1.00 42.41 H new ATOM 0 HG2 GLN A 44 -13.798 12.850 5.137 1.00 34.42 H new ATOM 0 HG3 GLN A 44 -13.960 11.287 5.913 1.00 34.42 H new ATOM 0 HE21 GLN A 44 -12.673 14.587 6.700 1.00 74.45 H new ATOM 0 HE22 GLN A 44 -13.356 14.648 8.328 1.00 74.45 H new ATOM 646 N GLY A 45 -9.319 10.179 4.232 1.00 70.11 N ATOM 647 CA GLY A 45 -7.912 10.193 3.915 1.00 41.30 C ATOM 648 C GLY A 45 -7.809 10.090 2.446 1.00 70.43 C ATOM 649 O GLY A 45 -8.809 9.904 1.766 1.00 31.44 O ATOM 0 H GLY A 45 -9.703 9.249 4.398 1.00 70.11 H new ATOM 0 HA2 GLY A 45 -7.443 11.110 4.273 1.00 41.30 H new ATOM 0 HA3 GLY A 45 -7.398 9.362 4.399 1.00 41.30 H new ATOM 653 N ALA A 46 -6.576 10.207 1.912 1.00 14.24 N ATOM 654 CA ALA A 46 -6.384 10.263 0.466 1.00 13.15 C ATOM 655 C ALA A 46 -6.762 8.927 -0.100 1.00 34.11 C ATOM 656 O ALA A 46 -7.576 8.837 -0.989 1.00 11.02 O ATOM 657 CB ALA A 46 -4.934 10.565 0.040 1.00 42.22 C ATOM 0 H ALA A 46 -5.717 10.263 2.458 1.00 14.24 H new ATOM 0 HA ALA A 46 -7.003 11.078 0.092 1.00 13.15 H new ATOM 0 HB1 ALA A 46 -4.872 10.590 -1.048 1.00 42.22 H new ATOM 0 HB2 ALA A 46 -4.630 11.531 0.443 1.00 42.22 H new ATOM 0 HB3 ALA A 46 -4.273 9.788 0.423 1.00 42.22 H new ATOM 663 N ALA A 47 -6.160 7.853 0.459 1.00 13.54 N ATOM 664 CA ALA A 47 -6.367 6.494 -0.036 1.00 71.45 C ATOM 665 C ALA A 47 -7.847 6.161 -0.110 1.00 15.32 C ATOM 666 O ALA A 47 -8.331 5.713 -1.151 1.00 34.34 O ATOM 667 CB ALA A 47 -5.713 5.450 0.895 1.00 21.04 C ATOM 0 H ALA A 47 -5.526 7.913 1.256 1.00 13.54 H new ATOM 0 HA ALA A 47 -5.913 6.455 -1.026 1.00 71.45 H new ATOM 0 HB1 ALA A 47 -5.886 4.450 0.498 1.00 21.04 H new ATOM 0 HB2 ALA A 47 -4.641 5.637 0.955 1.00 21.04 H new ATOM 0 HB3 ALA A 47 -6.150 5.526 1.891 1.00 21.04 H new ATOM 673 N GLU A 48 -8.594 6.394 0.983 1.00 73.03 N ATOM 674 CA GLU A 48 -10.016 6.091 1.005 1.00 4.21 C ATOM 675 C GLU A 48 -10.756 7.010 0.049 1.00 42.22 C ATOM 676 O GLU A 48 -11.511 6.557 -0.795 1.00 40.25 O ATOM 677 CB GLU A 48 -10.631 6.283 2.417 1.00 40.23 C ATOM 678 CG GLU A 48 -12.118 5.947 2.496 1.00 1.54 C ATOM 679 CD GLU A 48 -12.294 4.472 2.191 1.00 12.22 C ATOM 680 OE1 GLU A 48 -11.952 3.635 3.050 1.00 21.32 O ATOM 681 OE2 GLU A 48 -12.798 4.140 1.108 1.00 11.23 O ATOM 0 H GLU A 48 -8.231 6.788 1.851 1.00 73.03 H new ATOM 0 HA GLU A 48 -10.121 5.047 0.710 1.00 4.21 H new ATOM 0 HB2 GLU A 48 -10.089 5.657 3.126 1.00 40.23 H new ATOM 0 HB3 GLU A 48 -10.485 7.317 2.728 1.00 40.23 H new ATOM 0 HG2 GLU A 48 -12.506 6.178 3.488 1.00 1.54 H new ATOM 0 HG3 GLU A 48 -12.681 6.551 1.785 1.00 1.54 H new ATOM 688 N SER A 49 -10.574 8.326 0.220 1.00 41.14 N ATOM 689 CA SER A 49 -11.364 9.332 -0.485 1.00 11.43 C ATOM 690 C SER A 49 -11.163 9.224 -2.000 1.00 53.24 C ATOM 691 O SER A 49 -12.069 9.546 -2.778 1.00 33.24 O ATOM 692 CB SER A 49 -11.010 10.777 -0.013 1.00 72.24 C ATOM 693 OG SER A 49 -11.938 11.747 -0.513 1.00 1.32 O ATOM 0 H SER A 49 -9.875 8.718 0.851 1.00 41.14 H new ATOM 0 HA SER A 49 -12.410 9.138 -0.248 1.00 11.43 H new ATOM 0 HB2 SER A 49 -11.002 10.811 1.076 1.00 72.24 H new ATOM 0 HB3 SER A 49 -10.004 11.031 -0.347 1.00 72.24 H new ATOM 0 HG SER A 49 -11.683 12.638 -0.194 1.00 1.32 H new ATOM 699 N ASP A 50 -9.983 8.744 -2.437 1.00 63.13 N ATOM 700 CA ASP A 50 -9.707 8.649 -3.875 1.00 75.51 C ATOM 701 C ASP A 50 -10.398 7.384 -4.354 1.00 34.34 C ATOM 702 O ASP A 50 -10.899 7.303 -5.468 1.00 64.22 O ATOM 703 CB ASP A 50 -8.195 8.558 -4.220 1.00 33.34 C ATOM 704 CG ASP A 50 -7.947 9.067 -5.659 1.00 64.44 C ATOM 705 OD1 ASP A 50 -8.710 8.728 -6.569 1.00 61.23 O ATOM 706 OD2 ASP A 50 -6.963 9.826 -5.871 1.00 34.43 O ATOM 0 H ASP A 50 -9.227 8.425 -1.831 1.00 63.13 H new ATOM 0 HA ASP A 50 -10.069 9.555 -4.360 1.00 75.51 H new ATOM 0 HB2 ASP A 50 -7.616 9.150 -3.512 1.00 33.34 H new ATOM 0 HB3 ASP A 50 -7.854 7.527 -4.127 1.00 33.34 H new ATOM 711 N GLY A 51 -10.507 6.383 -3.448 1.00 14.23 N ATOM 712 CA GLY A 51 -11.293 5.193 -3.720 1.00 31.42 C ATOM 713 C GLY A 51 -10.491 4.218 -4.502 1.00 44.44 C ATOM 714 O GLY A 51 -11.055 3.340 -5.155 1.00 71.55 O ATOM 0 H GLY A 51 -10.057 6.391 -2.533 1.00 14.23 H new ATOM 0 HA2 GLY A 51 -11.617 4.740 -2.783 1.00 31.42 H new ATOM 0 HA3 GLY A 51 -12.193 5.461 -4.273 1.00 31.42 H new ATOM 718 N ARG A 52 -9.144 4.341 -4.483 1.00 71.35 N ATOM 719 CA ARG A 52 -8.325 3.478 -5.311 1.00 53.34 C ATOM 720 C ARG A 52 -7.652 2.506 -4.420 1.00 22.12 C ATOM 721 O ARG A 52 -6.790 1.745 -4.843 1.00 54.13 O ATOM 722 CB ARG A 52 -7.285 4.256 -6.108 1.00 5.33 C ATOM 723 CG ARG A 52 -7.959 5.301 -6.986 1.00 75.13 C ATOM 724 CD ARG A 52 -7.015 6.089 -7.885 1.00 34.30 C ATOM 725 NE ARG A 52 -7.845 7.171 -8.502 1.00 41.11 N ATOM 726 CZ ARG A 52 -8.468 7.048 -9.725 1.00 2.44 C ATOM 727 NH1 ARG A 52 -8.282 5.938 -10.511 1.00 0.25 N ATOM 728 NH2 ARG A 52 -9.290 8.046 -10.152 1.00 75.40 N ATOM 0 H ARG A 52 -8.629 5.014 -3.915 1.00 71.35 H new ATOM 0 HA ARG A 52 -8.964 2.976 -6.037 1.00 53.34 H new ATOM 0 HB2 ARG A 52 -6.585 4.741 -5.428 1.00 5.33 H new ATOM 0 HB3 ARG A 52 -6.706 3.571 -6.727 1.00 5.33 H new ATOM 0 HG2 ARG A 52 -8.702 4.805 -7.610 1.00 75.13 H new ATOM 0 HG3 ARG A 52 -8.496 6.001 -6.346 1.00 75.13 H new ATOM 0 HD2 ARG A 52 -6.189 6.509 -7.311 1.00 34.30 H new ATOM 0 HD3 ARG A 52 -6.578 5.448 -8.650 1.00 34.30 H new ATOM 0 HE ARG A 52 -7.955 8.046 -7.990 1.00 41.11 H new ATOM 0 HH11 ARG A 52 -7.673 5.184 -10.193 1.00 0.25 H new ATOM 0 HH12 ARG A 52 -8.753 5.867 -11.413 1.00 0.25 H new ATOM 0 HH21 ARG A 52 -9.437 8.870 -9.569 1.00 75.40 H new ATOM 0 HH22 ARG A 52 -9.758 7.970 -11.055 1.00 75.40 H new ATOM 742 N ILE A 53 -8.042 2.532 -3.156 1.00 0.11 N ATOM 743 CA ILE A 53 -7.510 1.672 -2.175 1.00 42.41 C ATOM 744 C ILE A 53 -8.681 1.406 -1.320 1.00 71.45 C ATOM 745 O ILE A 53 -9.537 2.278 -1.133 1.00 41.40 O ATOM 746 CB ILE A 53 -6.398 2.312 -1.326 1.00 25.23 C ATOM 747 CG1 ILE A 53 -5.140 2.492 -2.166 1.00 34.31 C ATOM 748 CG2 ILE A 53 -6.107 1.469 -0.063 1.00 63.34 C ATOM 749 CD1 ILE A 53 -4.107 3.365 -1.491 1.00 20.53 C ATOM 0 H ILE A 53 -8.752 3.173 -2.801 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.045 0.796 -2.626 1.00 42.41 H new ATOM 0 HB ILE A 53 -6.737 3.293 -0.993 1.00 25.23 H new ATOM 0 HG12 ILE A 53 -4.704 1.515 -2.374 1.00 34.31 H new ATOM 0 HG13 ILE A 53 -5.409 2.931 -3.126 1.00 34.31 H new ATOM 0 HG21 ILE A 53 -5.317 1.945 0.518 1.00 63.34 H new ATOM 0 HG22 ILE A 53 -7.010 1.397 0.543 1.00 63.34 H new ATOM 0 HG23 ILE A 53 -5.788 0.469 -0.358 1.00 63.34 H new ATOM 0 HD11 ILE A 53 -3.233 3.458 -2.135 1.00 20.53 H new ATOM 0 HD12 ILE A 53 -4.529 4.353 -1.307 1.00 20.53 H new ATOM 0 HD13 ILE A 53 -3.813 2.914 -0.543 1.00 20.53 H new ATOM 761 N HIS A 54 -8.741 0.215 -0.795 1.00 55.42 N ATOM 762 CA HIS A 54 -9.719 -0.129 0.134 1.00 52.43 C ATOM 763 C HIS A 54 -9.098 -1.165 0.964 1.00 61.24 C ATOM 764 O HIS A 54 -7.961 -1.561 0.717 1.00 30.43 O ATOM 765 CB HIS A 54 -11.038 -0.669 -0.452 1.00 11.44 C ATOM 766 CG HIS A 54 -12.162 -0.376 0.476 1.00 1.43 C ATOM 767 ND1 HIS A 54 -13.095 -1.296 0.861 1.00 71.51 N ATOM 768 CD2 HIS A 54 -12.447 0.772 1.082 1.00 45.55 C ATOM 769 CE1 HIS A 54 -13.935 -0.702 1.707 1.00 53.04 C ATOM 770 NE2 HIS A 54 -13.551 0.565 1.848 1.00 74.53 N ATOM 0 H HIS A 54 -8.091 -0.538 -1.019 1.00 55.42 H new ATOM 0 HA HIS A 54 -10.020 0.772 0.669 1.00 52.43 H new ATOM 0 HB2 HIS A 54 -11.228 -0.212 -1.423 1.00 11.44 H new ATOM 0 HB3 HIS A 54 -10.960 -1.744 -0.615 1.00 11.44 H new ATOM 0 HD2 HIS A 54 -11.902 1.699 0.984 1.00 45.55 H new ATOM 0 HE1 HIS A 54 -14.780 -1.167 2.193 1.00 53.04 H new ATOM 0 HE2 HIS A 54 -14.009 1.264 2.433 1.00 74.53 H new ATOM 779 N LYS A 55 -9.810 -1.620 1.999 1.00 72.10 N ATOM 780 CA LYS A 55 -9.287 -2.644 2.857 1.00 62.00 C ATOM 781 C LYS A 55 -9.193 -3.913 2.050 1.00 45.50 C ATOM 782 O LYS A 55 -10.048 -4.185 1.202 1.00 53.43 O ATOM 783 CB LYS A 55 -10.175 -2.908 4.090 1.00 62.43 C ATOM 784 CG LYS A 55 -10.354 -1.654 4.971 1.00 20.31 C ATOM 785 CD LYS A 55 -11.301 -1.856 6.164 1.00 4.12 C ATOM 786 CE LYS A 55 -12.772 -2.054 5.741 1.00 3.22 C ATOM 787 NZ LYS A 55 -13.648 -2.252 6.912 1.00 45.54 N ATOM 0 H LYS A 55 -10.742 -1.288 2.248 1.00 72.10 H new ATOM 0 HA LYS A 55 -8.316 -2.313 3.226 1.00 62.00 H new ATOM 0 HB2 LYS A 55 -11.153 -3.259 3.761 1.00 62.43 H new ATOM 0 HB3 LYS A 55 -9.734 -3.707 4.686 1.00 62.43 H new ATOM 0 HG2 LYS A 55 -9.378 -1.343 5.344 1.00 20.31 H new ATOM 0 HG3 LYS A 55 -10.734 -0.840 4.353 1.00 20.31 H new ATOM 0 HD2 LYS A 55 -10.974 -2.723 6.737 1.00 4.12 H new ATOM 0 HD3 LYS A 55 -11.232 -0.992 6.825 1.00 4.12 H new ATOM 0 HE2 LYS A 55 -13.109 -1.186 5.175 1.00 3.22 H new ATOM 0 HE3 LYS A 55 -12.848 -2.916 5.078 1.00 3.22 H new ATOM 0 HZ1 LYS A 55 -14.629 -2.382 6.593 1.00 45.54 H new ATOM 0 HZ2 LYS A 55 -13.340 -3.095 7.437 1.00 45.54 H new ATOM 0 HZ3 LYS A 55 -13.593 -1.419 7.532 1.00 45.54 H new ATOM 801 N GLY A 56 -8.154 -4.703 2.290 1.00 14.51 N ATOM 802 CA GLY A 56 -8.037 -5.993 1.648 1.00 63.52 C ATOM 803 C GLY A 56 -7.106 -5.876 0.486 1.00 12.13 C ATOM 804 O GLY A 56 -6.414 -6.839 0.158 1.00 64.25 O ATOM 0 H GLY A 56 -7.388 -4.469 2.922 1.00 14.51 H new ATOM 0 HA2 GLY A 56 -7.664 -6.733 2.356 1.00 63.52 H new ATOM 0 HA3 GLY A 56 -9.016 -6.337 1.313 1.00 63.52 H new ATOM 808 N ASP A 57 -7.065 -4.684 -0.192 1.00 21.24 N ATOM 809 CA ASP A 57 -6.173 -4.515 -1.352 1.00 34.12 C ATOM 810 C ASP A 57 -4.771 -4.514 -0.839 1.00 4.34 C ATOM 811 O ASP A 57 -4.548 -4.351 0.356 1.00 44.42 O ATOM 812 CB ASP A 57 -6.394 -3.216 -2.190 1.00 4.21 C ATOM 813 CG ASP A 57 -7.783 -3.258 -2.799 1.00 4.45 C ATOM 814 OD1 ASP A 57 -8.148 -4.308 -3.400 1.00 3.51 O ATOM 815 OD2 ASP A 57 -8.536 -2.264 -2.666 1.00 62.54 O ATOM 0 H ASP A 57 -7.623 -3.864 0.045 1.00 21.24 H new ATOM 0 HA ASP A 57 -6.393 -5.337 -2.033 1.00 34.12 H new ATOM 0 HB2 ASP A 57 -6.286 -2.335 -1.557 1.00 4.21 H new ATOM 0 HB3 ASP A 57 -5.640 -3.140 -2.974 1.00 4.21 H new ATOM 820 N ARG A 58 -3.795 -4.782 -1.719 1.00 32.44 N ATOM 821 CA ARG A 58 -2.460 -5.032 -1.262 1.00 71.24 C ATOM 822 C ARG A 58 -1.524 -4.153 -2.011 1.00 53.22 C ATOM 823 O ARG A 58 -1.776 -3.782 -3.152 1.00 43.05 O ATOM 824 CB ARG A 58 -2.040 -6.497 -1.489 1.00 23.23 C ATOM 825 CG ARG A 58 -2.211 -6.949 -2.949 1.00 74.44 C ATOM 826 CD ARG A 58 -2.079 -8.448 -3.173 1.00 71.22 C ATOM 827 NE ARG A 58 -3.149 -9.120 -2.360 1.00 31.34 N ATOM 828 CZ ARG A 58 -3.915 -10.166 -2.854 1.00 23.51 C ATOM 829 NH1 ARG A 58 -3.782 -10.608 -4.149 1.00 14.11 N ATOM 830 NH2 ARG A 58 -4.807 -10.765 -2.035 1.00 44.00 N ATOM 0 H ARG A 58 -3.921 -4.826 -2.730 1.00 32.44 H new ATOM 0 HA ARG A 58 -2.428 -4.828 -0.192 1.00 71.24 H new ATOM 0 HB2 ARG A 58 -0.998 -6.621 -1.195 1.00 23.23 H new ATOM 0 HB3 ARG A 58 -2.632 -7.144 -0.842 1.00 23.23 H new ATOM 0 HG2 ARG A 58 -3.191 -6.628 -3.301 1.00 74.44 H new ATOM 0 HG3 ARG A 58 -1.469 -6.438 -3.562 1.00 74.44 H new ATOM 0 HD2 ARG A 58 -2.192 -8.689 -4.230 1.00 71.22 H new ATOM 0 HD3 ARG A 58 -1.091 -8.796 -2.870 1.00 71.22 H new ATOM 0 HE ARG A 58 -3.319 -8.795 -1.408 1.00 31.34 H new ATOM 0 HH11 ARG A 58 -3.107 -10.165 -4.772 1.00 14.11 H new ATOM 0 HH12 ARG A 58 -4.358 -11.379 -4.486 1.00 14.11 H new ATOM 0 HH21 ARG A 58 -4.908 -10.447 -1.071 1.00 44.00 H new ATOM 0 HH22 ARG A 58 -5.379 -11.536 -2.380 1.00 44.00 H new ATOM 844 N VAL A 59 -0.399 -3.813 -1.353 1.00 25.23 N ATOM 845 CA VAL A 59 0.629 -3.028 -1.953 1.00 63.43 C ATOM 846 C VAL A 59 1.624 -4.013 -2.491 1.00 43.33 C ATOM 847 O VAL A 59 1.950 -5.014 -1.833 1.00 42.10 O ATOM 848 CB VAL A 59 1.320 -2.080 -0.972 1.00 34.14 C ATOM 849 CG1 VAL A 59 2.356 -1.222 -1.730 1.00 13.42 C ATOM 850 CG2 VAL A 59 0.222 -1.222 -0.291 1.00 64.14 C ATOM 0 H VAL A 59 -0.203 -4.089 -0.391 1.00 25.23 H new ATOM 0 HA VAL A 59 0.198 -2.386 -2.722 1.00 63.43 H new ATOM 0 HB VAL A 59 1.864 -2.624 -0.200 1.00 34.14 H new ATOM 0 HG11 VAL A 59 2.849 -0.546 -1.032 1.00 13.42 H new ATOM 0 HG12 VAL A 59 3.099 -1.872 -2.192 1.00 13.42 H new ATOM 0 HG13 VAL A 59 1.852 -0.641 -2.503 1.00 13.42 H new ATOM 0 HG21 VAL A 59 0.685 -0.534 0.416 1.00 64.14 H new ATOM 0 HG22 VAL A 59 -0.318 -0.655 -1.049 1.00 64.14 H new ATOM 0 HG23 VAL A 59 -0.473 -1.874 0.238 1.00 64.14 H new ATOM 860 N LEU A 60 2.084 -3.766 -3.717 1.00 34.43 N ATOM 861 CA LEU A 60 3.018 -4.644 -4.377 1.00 22.14 C ATOM 862 C LEU A 60 4.365 -4.067 -4.202 1.00 42.05 C ATOM 863 O LEU A 60 5.256 -4.709 -3.673 1.00 1.22 O ATOM 864 CB LEU A 60 2.783 -4.693 -5.888 1.00 1.14 C ATOM 865 CG LEU A 60 1.477 -5.350 -6.287 1.00 12.32 C ATOM 866 CD1 LEU A 60 1.121 -5.002 -7.715 1.00 54.22 C ATOM 867 CD2 LEU A 60 1.483 -6.863 -6.037 1.00 51.11 C ATOM 0 H LEU A 60 1.814 -2.952 -4.269 1.00 34.43 H new ATOM 0 HA LEU A 60 2.903 -5.642 -3.953 1.00 22.14 H new ATOM 0 HB2 LEU A 60 2.802 -3.677 -6.282 1.00 1.14 H new ATOM 0 HB3 LEU A 60 3.607 -5.231 -6.356 1.00 1.14 H new ATOM 0 HG LEU A 60 0.694 -4.949 -5.644 1.00 12.32 H new ATOM 0 HD11 LEU A 60 0.180 -5.483 -7.983 1.00 54.22 H new ATOM 0 HD12 LEU A 60 1.016 -3.921 -7.811 1.00 54.22 H new ATOM 0 HD13 LEU A 60 1.910 -5.351 -8.382 1.00 54.22 H new ATOM 0 HD21 LEU A 60 0.525 -7.286 -6.339 1.00 51.11 H new ATOM 0 HD22 LEU A 60 2.282 -7.324 -6.617 1.00 51.11 H new ATOM 0 HD23 LEU A 60 1.646 -7.056 -4.977 1.00 51.11 H new ATOM 879 N ALA A 61 4.555 -2.824 -4.680 1.00 54.42 N ATOM 880 CA ALA A 61 5.844 -2.202 -4.604 1.00 4.24 C ATOM 881 C ALA A 61 5.605 -0.814 -4.153 1.00 71.14 C ATOM 882 O ALA A 61 4.573 -0.235 -4.471 1.00 64.14 O ATOM 883 CB ALA A 61 6.563 -2.121 -5.969 1.00 30.33 C ATOM 0 H ALA A 61 3.828 -2.255 -5.114 1.00 54.42 H new ATOM 0 HA ALA A 61 6.473 -2.791 -3.937 1.00 4.24 H new ATOM 0 HB1 ALA A 61 7.533 -1.640 -5.841 1.00 30.33 H new ATOM 0 HB2 ALA A 61 6.706 -3.126 -6.365 1.00 30.33 H new ATOM 0 HB3 ALA A 61 5.958 -1.540 -6.665 1.00 30.33 H new ATOM 889 N VAL A 62 6.568 -0.236 -3.413 1.00 33.34 N ATOM 890 CA VAL A 62 6.460 1.131 -2.976 1.00 51.32 C ATOM 891 C VAL A 62 7.622 1.813 -3.606 1.00 41.44 C ATOM 892 O VAL A 62 8.746 1.392 -3.437 1.00 71.01 O ATOM 893 CB VAL A 62 6.547 1.324 -1.468 1.00 0.35 C ATOM 894 CG1 VAL A 62 6.360 2.828 -1.142 1.00 72.02 C ATOM 895 CG2 VAL A 62 5.480 0.436 -0.805 1.00 52.14 C ATOM 0 H VAL A 62 7.421 -0.709 -3.115 1.00 33.34 H new ATOM 0 HA VAL A 62 5.482 1.521 -3.258 1.00 51.32 H new ATOM 0 HB VAL A 62 7.520 1.027 -1.078 1.00 0.35 H new ATOM 0 HG11 VAL A 62 6.421 2.977 -0.064 1.00 72.02 H new ATOM 0 HG12 VAL A 62 7.142 3.407 -1.633 1.00 72.02 H new ATOM 0 HG13 VAL A 62 5.385 3.159 -1.500 1.00 72.02 H new ATOM 0 HG21 VAL A 62 5.525 0.559 0.277 1.00 52.14 H new ATOM 0 HG22 VAL A 62 4.492 0.726 -1.162 1.00 52.14 H new ATOM 0 HG23 VAL A 62 5.666 -0.607 -1.059 1.00 52.14 H new ATOM 905 N ASN A 63 7.330 2.858 -4.405 1.00 43.02 N ATOM 906 CA ASN A 63 8.325 3.587 -5.225 1.00 22.10 C ATOM 907 C ASN A 63 9.260 2.620 -5.945 1.00 60.15 C ATOM 908 O ASN A 63 10.441 2.854 -6.094 1.00 53.10 O ATOM 909 CB ASN A 63 9.100 4.783 -4.557 1.00 54.24 C ATOM 910 CG ASN A 63 10.145 4.307 -3.536 1.00 61.11 C ATOM 911 OD1 ASN A 63 9.723 4.071 -2.279 1.00 21.12 O flip ATOM 912 ND2 ASN A 63 11.328 4.179 -3.855 1.00 60.52 N flip ATOM 0 H ASN A 63 6.384 3.227 -4.502 1.00 43.02 H new ATOM 0 HA ASN A 63 7.704 4.112 -5.951 1.00 22.10 H new ATOM 0 HB2 ASN A 63 9.594 5.370 -5.331 1.00 54.24 H new ATOM 0 HB3 ASN A 63 8.387 5.443 -4.062 1.00 54.24 H new ATOM 0 HD21 ASN A 63 11.620 4.364 -4.814 1.00 60.52 H new ATOM 0 HD22 ASN A 63 12.015 3.888 -3.160 1.00 60.52 H new ATOM 919 N GLY A 64 8.687 1.512 -6.446 1.00 12.11 N ATOM 920 CA GLY A 64 9.401 0.642 -7.337 1.00 3.34 C ATOM 921 C GLY A 64 9.967 -0.474 -6.563 1.00 74.12 C ATOM 922 O GLY A 64 10.272 -1.524 -7.120 1.00 71.33 O ATOM 0 H GLY A 64 7.733 1.216 -6.237 1.00 12.11 H new ATOM 0 HA2 GLY A 64 8.732 0.263 -8.110 1.00 3.34 H new ATOM 0 HA3 GLY A 64 10.195 1.191 -7.843 1.00 3.34 H new ATOM 926 N VAL A 65 10.152 -0.292 -5.246 1.00 74.12 N ATOM 927 CA VAL A 65 10.777 -1.269 -4.463 1.00 72.42 C ATOM 928 C VAL A 65 9.758 -2.347 -4.190 1.00 22.54 C ATOM 929 O VAL A 65 8.746 -2.104 -3.527 1.00 54.33 O ATOM 930 CB VAL A 65 11.235 -0.671 -3.145 1.00 1.11 C ATOM 931 CG1 VAL A 65 11.844 -1.761 -2.302 1.00 2.32 C ATOM 932 CG2 VAL A 65 12.215 0.492 -3.445 1.00 71.15 C ATOM 0 H VAL A 65 9.862 0.542 -4.735 1.00 74.12 H new ATOM 0 HA VAL A 65 11.648 -1.669 -4.983 1.00 72.42 H new ATOM 0 HB VAL A 65 10.403 -0.255 -2.576 1.00 1.11 H new ATOM 0 HG11 VAL A 65 12.177 -1.343 -1.352 1.00 2.32 H new ATOM 0 HG12 VAL A 65 11.100 -2.536 -2.117 1.00 2.32 H new ATOM 0 HG13 VAL A 65 12.696 -2.194 -2.827 1.00 2.32 H new ATOM 0 HG21 VAL A 65 12.554 0.933 -2.508 1.00 71.15 H new ATOM 0 HG22 VAL A 65 13.073 0.111 -3.998 1.00 71.15 H new ATOM 0 HG23 VAL A 65 11.708 1.251 -4.041 1.00 71.15 H new ATOM 942 N SER A 66 10.026 -3.558 -4.729 1.00 53.25 N ATOM 943 CA SER A 66 9.185 -4.725 -4.523 1.00 63.32 C ATOM 944 C SER A 66 9.043 -4.970 -3.036 1.00 42.11 C ATOM 945 O SER A 66 10.034 -5.092 -2.305 1.00 64.23 O ATOM 946 CB SER A 66 9.732 -5.990 -5.208 1.00 63.20 C ATOM 947 OG SER A 66 10.072 -5.680 -6.574 1.00 51.41 O ATOM 0 H SER A 66 10.838 -3.738 -5.319 1.00 53.25 H new ATOM 0 HA SER A 66 8.217 -4.517 -4.979 1.00 63.32 H new ATOM 0 HB2 SER A 66 10.610 -6.355 -4.676 1.00 63.20 H new ATOM 0 HB3 SER A 66 8.987 -6.785 -5.178 1.00 63.20 H new ATOM 0 HG SER A 66 10.423 -6.482 -7.014 1.00 51.41 H new ATOM 953 N LEU A 67 7.788 -4.936 -2.562 1.00 33.13 N ATOM 954 CA LEU A 67 7.514 -4.828 -1.160 1.00 2.45 C ATOM 955 C LEU A 67 7.208 -6.194 -0.674 1.00 75.44 C ATOM 956 O LEU A 67 7.233 -6.456 0.492 1.00 1.14 O ATOM 957 CB LEU A 67 6.263 -3.930 -0.939 1.00 54.24 C ATOM 958 CG LEU A 67 6.156 -3.205 0.401 1.00 35.01 C ATOM 959 CD1 LEU A 67 5.551 -4.066 1.517 1.00 54.30 C ATOM 960 CD2 LEU A 67 7.454 -2.468 0.792 1.00 25.40 C ATOM 0 H LEU A 67 6.956 -4.983 -3.151 1.00 33.13 H new ATOM 0 HA LEU A 67 8.363 -4.393 -0.633 1.00 2.45 H new ATOM 0 HB2 LEU A 67 6.239 -3.182 -1.731 1.00 54.24 H new ATOM 0 HB3 LEU A 67 5.375 -4.551 -1.060 1.00 54.24 H new ATOM 0 HG LEU A 67 5.422 -2.412 0.254 1.00 35.01 H new ATOM 0 HD11 LEU A 67 5.506 -3.487 2.439 1.00 54.30 H new ATOM 0 HD12 LEU A 67 4.545 -4.376 1.233 1.00 54.30 H new ATOM 0 HD13 LEU A 67 6.172 -4.948 1.673 1.00 54.30 H new ATOM 0 HD21 LEU A 67 7.316 -1.972 1.753 1.00 25.40 H new ATOM 0 HD22 LEU A 67 8.271 -3.186 0.868 1.00 25.40 H new ATOM 0 HD23 LEU A 67 7.694 -1.725 0.032 1.00 25.40 H new ATOM 972 N GLU A 68 6.896 -7.109 -1.595 1.00 72.42 N ATOM 973 CA GLU A 68 6.517 -8.444 -1.198 1.00 33.31 C ATOM 974 C GLU A 68 7.676 -9.116 -0.461 1.00 12.32 C ATOM 975 O GLU A 68 8.804 -9.172 -0.954 1.00 1.40 O ATOM 976 CB GLU A 68 6.036 -9.335 -2.357 1.00 41.45 C ATOM 977 CG GLU A 68 7.046 -9.520 -3.511 1.00 2.31 C ATOM 978 CD GLU A 68 6.521 -10.626 -4.384 1.00 14.21 C ATOM 979 OE1 GLU A 68 6.346 -11.744 -3.867 1.00 52.03 O ATOM 980 OE2 GLU A 68 6.260 -10.393 -5.575 1.00 2.02 O ATOM 0 H GLU A 68 6.901 -6.943 -2.601 1.00 72.42 H new ATOM 0 HA GLU A 68 5.659 -8.331 -0.536 1.00 33.31 H new ATOM 0 HB2 GLU A 68 5.782 -10.317 -1.957 1.00 41.45 H new ATOM 0 HB3 GLU A 68 5.119 -8.910 -2.764 1.00 41.45 H new ATOM 0 HG2 GLU A 68 7.153 -8.597 -4.081 1.00 2.31 H new ATOM 0 HG3 GLU A 68 8.033 -9.771 -3.123 1.00 2.31 H new ATOM 987 N GLY A 69 7.400 -9.600 0.772 1.00 33.40 N ATOM 988 CA GLY A 69 8.416 -10.240 1.590 1.00 5.01 C ATOM 989 C GLY A 69 8.941 -9.224 2.555 1.00 53.43 C ATOM 990 O GLY A 69 9.604 -9.575 3.533 1.00 14.21 O ATOM 0 H GLY A 69 6.479 -9.552 1.208 1.00 33.40 H new ATOM 0 HA2 GLY A 69 7.994 -11.091 2.125 1.00 5.01 H new ATOM 0 HA3 GLY A 69 9.222 -10.624 0.965 1.00 5.01 H new ATOM 994 N ALA A 70 8.664 -7.919 2.309 1.00 20.42 N ATOM 995 CA ALA A 70 9.120 -6.885 3.206 1.00 33.14 C ATOM 996 C ALA A 70 8.197 -6.914 4.375 1.00 2.33 C ATOM 997 O ALA A 70 7.044 -7.312 4.255 1.00 0.32 O ATOM 998 CB ALA A 70 9.108 -5.459 2.602 1.00 43.33 C ATOM 0 H ALA A 70 8.134 -7.584 1.504 1.00 20.42 H new ATOM 0 HA ALA A 70 10.161 -7.089 3.457 1.00 33.14 H new ATOM 0 HB1 ALA A 70 9.466 -4.746 3.345 1.00 43.33 H new ATOM 0 HB2 ALA A 70 9.758 -5.429 1.728 1.00 43.33 H new ATOM 0 HB3 ALA A 70 8.092 -5.197 2.308 1.00 43.33 H new ATOM 1004 N THR A 71 8.710 -6.558 5.547 1.00 42.34 N ATOM 1005 CA THR A 71 7.959 -6.729 6.748 1.00 31.34 C ATOM 1006 C THR A 71 6.974 -5.574 6.877 1.00 62.22 C ATOM 1007 O THR A 71 6.944 -4.674 6.047 1.00 33.15 O ATOM 1008 CB THR A 71 8.845 -6.816 7.993 1.00 44.33 C ATOM 1009 OG1 THR A 71 9.460 -5.554 8.287 1.00 71.12 O ATOM 1010 CG2 THR A 71 9.952 -7.862 7.723 1.00 22.04 C ATOM 0 H THR A 71 9.638 -6.153 5.673 1.00 42.34 H new ATOM 0 HA THR A 71 7.428 -7.679 6.683 1.00 31.34 H new ATOM 0 HB THR A 71 8.229 -7.100 8.846 1.00 44.33 H new ATOM 0 HG1 THR A 71 10.018 -5.641 9.088 1.00 71.12 H new ATOM 0 HG21 THR A 71 10.598 -7.942 8.597 1.00 22.04 H new ATOM 0 HG22 THR A 71 9.495 -8.831 7.519 1.00 22.04 H new ATOM 0 HG23 THR A 71 10.544 -7.551 6.862 1.00 22.04 H new ATOM 1018 N HIS A 72 6.164 -5.594 7.960 1.00 4.51 N ATOM 1019 CA HIS A 72 5.233 -4.527 8.243 1.00 40.20 C ATOM 1020 C HIS A 72 6.022 -3.272 8.492 1.00 42.13 C ATOM 1021 O HIS A 72 5.758 -2.264 7.886 1.00 41.53 O ATOM 1022 CB HIS A 72 4.264 -4.791 9.442 1.00 13.22 C ATOM 1023 CG HIS A 72 4.926 -5.066 10.771 1.00 11.42 C ATOM 1024 ND1 HIS A 72 5.598 -6.224 11.027 1.00 74.22 N ATOM 1025 CD2 HIS A 72 4.969 -4.323 11.902 1.00 64.43 C ATOM 1026 CE1 HIS A 72 6.045 -6.187 12.272 1.00 4.22 C ATOM 1027 NE2 HIS A 72 5.674 -5.042 12.828 1.00 13.41 N ATOM 0 H HIS A 72 6.152 -6.351 8.644 1.00 4.51 H new ATOM 0 HA HIS A 72 4.583 -4.441 7.372 1.00 40.20 H new ATOM 0 HB2 HIS A 72 3.611 -3.926 9.555 1.00 13.22 H new ATOM 0 HB3 HIS A 72 3.628 -5.640 9.191 1.00 13.22 H new ATOM 0 HD2 HIS A 72 4.530 -3.347 12.046 1.00 64.43 H new ATOM 0 HE1 HIS A 72 6.619 -6.963 12.756 1.00 4.22 H new ATOM 0 HE2 HIS A 72 5.879 -4.748 13.783 1.00 13.41 H new ATOM 1036 N LYS A 73 7.054 -3.323 9.380 1.00 35.30 N ATOM 1037 CA LYS A 73 7.882 -2.141 9.653 1.00 40.34 C ATOM 1038 C LYS A 73 8.442 -1.580 8.374 1.00 12.44 C ATOM 1039 O LYS A 73 8.242 -0.415 8.078 1.00 73.33 O ATOM 1040 CB LYS A 73 9.069 -2.437 10.577 1.00 44.45 C ATOM 1041 CG LYS A 73 8.652 -2.973 11.937 1.00 71.23 C ATOM 1042 CD LYS A 73 9.836 -3.175 12.856 1.00 41.41 C ATOM 1043 CE LYS A 73 9.452 -3.719 14.232 1.00 12.25 C ATOM 1044 NZ LYS A 73 10.649 -3.893 15.063 1.00 53.24 N ATOM 0 H LYS A 73 7.319 -4.158 9.903 1.00 35.30 H new ATOM 0 HA LYS A 73 7.219 -1.430 10.146 1.00 40.34 H new ATOM 0 HB2 LYS A 73 9.725 -3.161 10.094 1.00 44.45 H new ATOM 0 HB3 LYS A 73 9.649 -1.525 10.716 1.00 44.45 H new ATOM 0 HG2 LYS A 73 7.949 -2.280 12.399 1.00 71.23 H new ATOM 0 HG3 LYS A 73 8.128 -3.920 11.808 1.00 71.23 H new ATOM 0 HD2 LYS A 73 10.539 -3.863 12.385 1.00 41.41 H new ATOM 0 HD3 LYS A 73 10.355 -2.225 12.981 1.00 41.41 H new ATOM 0 HE2 LYS A 73 8.758 -3.035 14.720 1.00 12.25 H new ATOM 0 HE3 LYS A 73 8.935 -4.672 14.122 1.00 12.25 H new ATOM 0 HZ1 LYS A 73 10.374 -4.263 15.995 1.00 53.24 H new ATOM 0 HZ2 LYS A 73 11.297 -4.563 14.602 1.00 53.24 H new ATOM 0 HZ3 LYS A 73 11.126 -2.976 15.182 1.00 53.24 H new ATOM 1058 N GLN A 74 9.161 -2.426 7.593 1.00 63.23 N ATOM 1059 CA GLN A 74 9.774 -1.999 6.337 1.00 62.42 C ATOM 1060 C GLN A 74 8.714 -1.382 5.443 1.00 63.30 C ATOM 1061 O GLN A 74 8.912 -0.315 4.889 1.00 11.15 O ATOM 1062 CB GLN A 74 10.407 -3.177 5.585 1.00 53.25 C ATOM 1063 CG GLN A 74 11.452 -3.931 6.420 1.00 23.14 C ATOM 1064 CD GLN A 74 12.742 -3.133 6.486 1.00 13.50 C ATOM 1065 OE1 GLN A 74 12.887 -2.087 5.845 1.00 14.23 O ATOM 1066 NE2 GLN A 74 13.710 -3.629 7.273 1.00 2.31 N ATOM 0 H GLN A 74 9.323 -3.406 7.823 1.00 63.23 H new ATOM 0 HA GLN A 74 10.553 -1.277 6.580 1.00 62.42 H new ATOM 0 HB2 GLN A 74 9.623 -3.871 5.282 1.00 53.25 H new ATOM 0 HB3 GLN A 74 10.876 -2.808 4.673 1.00 53.25 H new ATOM 0 HG2 GLN A 74 11.070 -4.103 7.426 1.00 23.14 H new ATOM 0 HG3 GLN A 74 11.643 -4.910 5.980 1.00 23.14 H new ATOM 0 HE21 GLN A 74 13.555 -4.496 7.788 1.00 2.31 H new ATOM 0 HE22 GLN A 74 14.601 -3.139 7.356 1.00 2.31 H new ATOM 1075 N ALA A 75 7.557 -2.065 5.329 1.00 43.24 N ATOM 1076 CA ALA A 75 6.444 -1.618 4.495 1.00 23.43 C ATOM 1077 C ALA A 75 6.082 -0.198 4.816 1.00 63.12 C ATOM 1078 O ALA A 75 6.003 0.648 3.925 1.00 75.13 O ATOM 1079 CB ALA A 75 5.171 -2.450 4.679 1.00 3.44 C ATOM 0 H ALA A 75 7.377 -2.942 5.817 1.00 43.24 H new ATOM 0 HA ALA A 75 6.796 -1.728 3.469 1.00 23.43 H new ATOM 0 HB1 ALA A 75 4.386 -2.062 4.030 1.00 3.44 H new ATOM 0 HB2 ALA A 75 5.375 -3.489 4.421 1.00 3.44 H new ATOM 0 HB3 ALA A 75 4.845 -2.391 5.717 1.00 3.44 H new ATOM 1085 N VAL A 76 5.849 0.091 6.105 1.00 72.24 N ATOM 1086 CA VAL A 76 5.357 1.385 6.492 1.00 75.22 C ATOM 1087 C VAL A 76 6.498 2.380 6.362 1.00 21.24 C ATOM 1088 O VAL A 76 6.288 3.503 5.926 1.00 35.42 O ATOM 1089 CB VAL A 76 4.810 1.409 7.924 1.00 41.02 C ATOM 1090 CG1 VAL A 76 4.201 2.791 8.212 1.00 13.14 C ATOM 1091 CG2 VAL A 76 3.746 0.306 8.045 1.00 32.44 C ATOM 0 H VAL A 76 5.997 -0.559 6.877 1.00 72.24 H new ATOM 0 HA VAL A 76 4.525 1.645 5.837 1.00 75.22 H new ATOM 0 HB VAL A 76 5.604 1.229 8.649 1.00 41.02 H new ATOM 0 HG11 VAL A 76 3.811 2.812 9.230 1.00 13.14 H new ATOM 0 HG12 VAL A 76 4.969 3.557 8.102 1.00 13.14 H new ATOM 0 HG13 VAL A 76 3.391 2.985 7.509 1.00 13.14 H new ATOM 0 HG21 VAL A 76 3.340 0.302 9.057 1.00 32.44 H new ATOM 0 HG22 VAL A 76 2.943 0.495 7.332 1.00 32.44 H new ATOM 0 HG23 VAL A 76 4.200 -0.662 7.832 1.00 32.44 H new ATOM 1101 N CYS A 77 7.747 1.975 6.759 1.00 62.25 N ATOM 1102 CA CYS A 77 8.852 2.999 6.781 1.00 32.02 C ATOM 1103 C CYS A 77 9.061 3.451 5.322 1.00 2.53 C ATOM 1104 O CYS A 77 9.592 4.495 5.039 1.00 71.50 O ATOM 1105 CB CYS A 77 10.194 2.420 7.315 1.00 25.54 C ATOM 1106 SG CYS A 77 11.351 3.743 7.888 1.00 65.22 S ATOM 0 H CYS A 77 8.005 1.031 7.046 1.00 62.25 H new ATOM 0 HA CYS A 77 8.567 3.815 7.445 1.00 32.02 H new ATOM 0 HB2 CYS A 77 9.990 1.737 8.140 1.00 25.54 H new ATOM 0 HB3 CYS A 77 10.674 1.837 6.529 1.00 25.54 H new ATOM 0 HG CYS A 77 12.449 3.200 8.323 1.00 65.22 H new ATOM 1111 N THR A 78 8.807 2.516 4.366 1.00 71.43 N ATOM 1112 CA THR A 78 9.015 2.798 2.962 1.00 51.13 C ATOM 1113 C THR A 78 7.932 3.754 2.523 1.00 21.30 C ATOM 1114 O THR A 78 8.212 4.743 1.876 1.00 5.12 O ATOM 1115 CB THR A 78 8.964 1.548 2.085 1.00 63.32 C ATOM 1116 OG1 THR A 78 9.822 0.541 2.618 1.00 74.35 O ATOM 1117 CG2 THR A 78 9.455 1.916 0.665 1.00 11.24 C ATOM 0 H THR A 78 8.462 1.577 4.563 1.00 71.43 H new ATOM 0 HA THR A 78 10.012 3.222 2.844 1.00 51.13 H new ATOM 0 HB THR A 78 7.941 1.172 2.053 1.00 63.32 H new ATOM 0 HG1 THR A 78 9.404 0.139 3.408 1.00 74.35 H new ATOM 0 HG21 THR A 78 9.423 1.032 0.029 1.00 11.24 H new ATOM 0 HG22 THR A 78 8.810 2.688 0.246 1.00 11.24 H new ATOM 0 HG23 THR A 78 10.478 2.288 0.719 1.00 11.24 H new ATOM 1125 N LEU A 79 6.655 3.467 2.918 1.00 60.32 N ATOM 1126 CA LEU A 79 5.517 4.325 2.564 1.00 42.12 C ATOM 1127 C LEU A 79 5.749 5.700 3.126 1.00 12.43 C ATOM 1128 O LEU A 79 5.472 6.692 2.470 1.00 71.34 O ATOM 1129 CB LEU A 79 4.160 3.818 3.128 1.00 24.24 C ATOM 1130 CG LEU A 79 3.630 2.543 2.433 1.00 60.43 C ATOM 1131 CD1 LEU A 79 2.458 1.898 3.204 1.00 53.21 C ATOM 1132 CD2 LEU A 79 3.285 2.781 0.946 1.00 53.31 C ATOM 0 H LEU A 79 6.405 2.651 3.477 1.00 60.32 H new ATOM 0 HA LEU A 79 5.454 4.320 1.476 1.00 42.12 H new ATOM 0 HB2 LEU A 79 4.272 3.619 4.194 1.00 24.24 H new ATOM 0 HB3 LEU A 79 3.418 4.610 3.028 1.00 24.24 H new ATOM 0 HG LEU A 79 4.449 1.824 2.450 1.00 60.43 H new ATOM 0 HD11 LEU A 79 2.122 1.006 2.675 1.00 53.21 H new ATOM 0 HD12 LEU A 79 2.789 1.623 4.205 1.00 53.21 H new ATOM 0 HD13 LEU A 79 1.635 2.609 3.276 1.00 53.21 H new ATOM 0 HD21 LEU A 79 2.917 1.854 0.505 1.00 53.31 H new ATOM 0 HD22 LEU A 79 2.516 3.549 0.869 1.00 53.31 H new ATOM 0 HD23 LEU A 79 4.178 3.107 0.413 1.00 53.31 H new ATOM 1144 N ARG A 80 6.278 5.783 4.361 1.00 55.02 N ATOM 1145 CA ARG A 80 6.554 7.067 4.973 1.00 23.14 C ATOM 1146 C ARG A 80 7.588 7.778 4.132 1.00 42.44 C ATOM 1147 O ARG A 80 7.327 8.878 3.615 1.00 22.32 O ATOM 1148 CB ARG A 80 7.119 6.957 6.411 1.00 3.22 C ATOM 1149 CG ARG A 80 7.419 8.332 7.033 1.00 52.10 C ATOM 1150 CD ARG A 80 8.111 8.277 8.399 1.00 62.45 C ATOM 1151 NE ARG A 80 9.358 7.433 8.278 1.00 13.50 N ATOM 1152 CZ ARG A 80 10.530 7.917 7.712 1.00 42.35 C ATOM 1153 NH1 ARG A 80 10.578 9.186 7.188 1.00 63.34 N ATOM 1154 NH2 ARG A 80 11.657 7.124 7.685 1.00 23.32 N ATOM 0 H ARG A 80 6.516 4.977 4.938 1.00 55.02 H new ATOM 0 HA ARG A 80 5.607 7.604 5.029 1.00 23.14 H new ATOM 0 HB2 ARG A 80 6.404 6.426 7.039 1.00 3.22 H new ATOM 0 HB3 ARG A 80 8.032 6.362 6.395 1.00 3.22 H new ATOM 0 HG2 ARG A 80 8.047 8.898 6.345 1.00 52.10 H new ATOM 0 HG3 ARG A 80 6.483 8.881 7.136 1.00 52.10 H new ATOM 0 HD2 ARG A 80 8.367 9.282 8.734 1.00 62.45 H new ATOM 0 HD3 ARG A 80 7.439 7.854 9.146 1.00 62.45 H new ATOM 0 HE ARG A 80 9.338 6.474 8.624 1.00 13.50 H new ATOM 0 HH11 ARG A 80 9.749 9.780 7.213 1.00 63.34 H new ATOM 0 HH12 ARG A 80 11.443 9.534 6.774 1.00 63.34 H new ATOM 0 HH21 ARG A 80 11.629 6.184 8.080 1.00 23.32 H new ATOM 0 HH22 ARG A 80 12.519 7.477 7.270 1.00 23.32 H new ATOM 1168 N ASN A 81 8.799 7.145 3.999 1.00 32.55 N ATOM 1169 CA ASN A 81 9.952 7.728 3.275 1.00 15.13 C ATOM 1170 C ASN A 81 9.693 7.733 1.766 1.00 53.44 C ATOM 1171 O ASN A 81 10.516 7.273 0.968 1.00 45.50 O ATOM 1172 CB ASN A 81 11.293 6.968 3.555 1.00 51.41 C ATOM 1173 CG ASN A 81 12.480 7.773 2.986 1.00 2.25 C ATOM 1174 OD1 ASN A 81 12.651 8.954 3.299 1.00 44.24 O ATOM 1175 ND2 ASN A 81 13.317 7.128 2.146 1.00 35.04 N ATOM 0 H ASN A 81 8.990 6.223 4.392 1.00 32.55 H new ATOM 0 HA ASN A 81 10.059 8.748 3.645 1.00 15.13 H new ATOM 0 HB2 ASN A 81 11.422 6.822 4.628 1.00 51.41 H new ATOM 0 HB3 ASN A 81 11.262 5.978 3.100 1.00 51.41 H new ATOM 0 HD21 ASN A 81 14.119 7.618 1.750 1.00 35.04 H new ATOM 0 HD22 ASN A 81 13.147 6.151 1.907 1.00 35.04 H new ATOM 1182 N THR A 82 8.571 8.301 1.371 1.00 51.50 N ATOM 1183 CA THR A 82 8.287 8.605 0.008 1.00 22.12 C ATOM 1184 C THR A 82 8.275 10.107 -0.076 1.00 63.12 C ATOM 1185 O THR A 82 8.560 10.812 0.913 1.00 14.22 O ATOM 1186 CB THR A 82 6.950 8.061 -0.473 1.00 1.33 C ATOM 1187 OG1 THR A 82 5.903 8.339 0.474 1.00 60.24 O ATOM 1188 CG2 THR A 82 7.103 6.545 -0.690 1.00 24.33 C ATOM 0 H THR A 82 7.824 8.565 2.013 1.00 51.50 H new ATOM 0 HA THR A 82 9.037 8.138 -0.630 1.00 22.12 H new ATOM 0 HB THR A 82 6.669 8.548 -1.407 1.00 1.33 H new ATOM 0 HG1 THR A 82 5.714 7.533 0.999 1.00 60.24 H new ATOM 0 HG21 THR A 82 6.156 6.130 -1.036 1.00 24.33 H new ATOM 0 HG22 THR A 82 7.875 6.360 -1.437 1.00 24.33 H new ATOM 0 HG23 THR A 82 7.386 6.070 0.249 1.00 24.33 H new ATOM 1196 N GLY A 83 7.948 10.627 -1.263 1.00 52.12 N ATOM 1197 CA GLY A 83 7.890 12.046 -1.474 1.00 0.31 C ATOM 1198 C GLY A 83 6.521 12.501 -1.058 1.00 24.21 C ATOM 1199 O GLY A 83 5.832 11.824 -0.295 1.00 63.32 O ATOM 0 H GLY A 83 7.721 10.069 -2.086 1.00 52.12 H new ATOM 0 HA2 GLY A 83 8.658 12.553 -0.890 1.00 0.31 H new ATOM 0 HA3 GLY A 83 8.074 12.287 -2.521 1.00 0.31 H new ATOM 1203 N GLN A 84 6.114 13.686 -1.558 1.00 32.13 N ATOM 1204 CA GLN A 84 4.851 14.291 -1.188 1.00 40.55 C ATOM 1205 C GLN A 84 3.741 13.320 -1.502 1.00 31.43 C ATOM 1206 O GLN A 84 2.919 12.989 -0.633 1.00 52.53 O ATOM 1207 CB GLN A 84 4.555 15.605 -1.941 1.00 51.32 C ATOM 1208 CG GLN A 84 3.316 16.322 -1.391 1.00 51.44 C ATOM 1209 CD GLN A 84 2.973 17.487 -2.299 1.00 65.04 C ATOM 1210 OE1 GLN A 84 3.481 17.590 -3.409 1.00 71.53 O ATOM 1211 NE2 GLN A 84 2.095 18.377 -1.831 1.00 40.34 N ATOM 0 H GLN A 84 6.659 14.234 -2.224 1.00 32.13 H new ATOM 0 HA GLN A 84 4.914 14.526 -0.125 1.00 40.55 H new ATOM 0 HB2 GLN A 84 5.418 16.266 -1.867 1.00 51.32 H new ATOM 0 HB3 GLN A 84 4.408 15.390 -2.999 1.00 51.32 H new ATOM 0 HG2 GLN A 84 2.476 15.630 -1.333 1.00 51.44 H new ATOM 0 HG3 GLN A 84 3.506 16.678 -0.378 1.00 51.44 H new ATOM 0 HE21 GLN A 84 1.693 18.257 -0.901 1.00 40.34 H new ATOM 0 HE22 GLN A 84 1.826 19.177 -2.403 1.00 40.34 H new ATOM 1220 N VAL A 85 3.707 12.848 -2.749 1.00 45.02 N ATOM 1221 CA VAL A 85 2.711 11.920 -3.170 1.00 41.05 C ATOM 1222 C VAL A 85 3.403 10.586 -3.273 1.00 41.11 C ATOM 1223 O VAL A 85 4.608 10.521 -3.529 1.00 41.20 O ATOM 1224 CB VAL A 85 2.090 12.352 -4.487 1.00 2.35 C ATOM 1225 CG1 VAL A 85 1.109 11.304 -5.009 1.00 42.11 C ATOM 1226 CG2 VAL A 85 1.398 13.697 -4.199 1.00 3.44 C ATOM 0 H VAL A 85 4.374 13.109 -3.475 1.00 45.02 H new ATOM 0 HA VAL A 85 1.883 11.865 -2.463 1.00 41.05 H new ATOM 0 HB VAL A 85 2.841 12.459 -5.270 1.00 2.35 H new ATOM 0 HG11 VAL A 85 0.682 11.643 -5.953 1.00 42.11 H new ATOM 0 HG12 VAL A 85 1.633 10.361 -5.166 1.00 42.11 H new ATOM 0 HG13 VAL A 85 0.311 11.158 -4.281 1.00 42.11 H new ATOM 0 HG21 VAL A 85 0.928 14.067 -5.110 1.00 3.44 H new ATOM 0 HG22 VAL A 85 0.639 13.558 -3.429 1.00 3.44 H new ATOM 0 HG23 VAL A 85 2.137 14.420 -3.853 1.00 3.44 H new ATOM 1236 N VAL A 86 2.657 9.506 -2.981 1.00 50.31 N ATOM 1237 CA VAL A 86 3.220 8.193 -2.857 1.00 5.35 C ATOM 1238 C VAL A 86 2.939 7.484 -4.140 1.00 24.45 C ATOM 1239 O VAL A 86 1.794 7.459 -4.614 1.00 74.24 O ATOM 1240 CB VAL A 86 2.554 7.388 -1.744 1.00 64.04 C ATOM 1241 CG1 VAL A 86 3.274 6.034 -1.563 1.00 61.53 C ATOM 1242 CG2 VAL A 86 2.551 8.245 -0.463 1.00 42.21 C ATOM 0 H VAL A 86 1.649 9.542 -2.828 1.00 50.31 H new ATOM 0 HA VAL A 86 4.282 8.284 -2.630 1.00 5.35 H new ATOM 0 HB VAL A 86 1.520 7.151 -1.996 1.00 64.04 H new ATOM 0 HG11 VAL A 86 2.790 5.468 -0.767 1.00 61.53 H new ATOM 0 HG12 VAL A 86 3.223 5.468 -2.493 1.00 61.53 H new ATOM 0 HG13 VAL A 86 4.318 6.209 -1.302 1.00 61.53 H new ATOM 0 HG21 VAL A 86 2.079 7.688 0.346 1.00 42.21 H new ATOM 0 HG22 VAL A 86 3.577 8.489 -0.186 1.00 42.21 H new ATOM 0 HG23 VAL A 86 1.995 9.165 -0.642 1.00 42.21 H new ATOM 1252 N HIS A 87 3.974 6.894 -4.730 1.00 41.14 N ATOM 1253 CA HIS A 87 3.832 6.081 -5.907 1.00 62.31 C ATOM 1254 C HIS A 87 3.948 4.678 -5.425 1.00 23.50 C ATOM 1255 O HIS A 87 4.981 4.275 -4.888 1.00 63.34 O ATOM 1256 CB HIS A 87 4.974 6.318 -6.934 1.00 4.44 C ATOM 1257 CG HIS A 87 5.061 5.289 -8.036 1.00 53.30 C ATOM 1258 ND1 HIS A 87 6.008 4.371 -8.278 1.00 24.52 N flip ATOM 1259 CD2 HIS A 87 4.119 5.166 -9.012 1.00 54.21 C flip ATOM 1260 CE1 HIS A 87 5.647 3.693 -9.400 1.00 64.31 C flip ATOM 1261 NE2 HIS A 87 4.494 4.189 -9.838 1.00 31.31 N flip ATOM 0 H HIS A 87 4.934 6.974 -4.395 1.00 41.14 H new ATOM 0 HA HIS A 87 2.890 6.313 -6.405 1.00 62.31 H new ATOM 0 HB2 HIS A 87 4.840 7.301 -7.385 1.00 4.44 H new ATOM 0 HB3 HIS A 87 5.924 6.339 -6.400 1.00 4.44 H new ATOM 0 HD2 HIS A 87 3.221 5.759 -9.102 1.00 54.21 H new ATOM 0 HE1 HIS A 87 6.203 2.888 -9.858 1.00 64.31 H new ATOM 0 HE2 HIS A 87 3.984 3.876 -10.664 1.00 31.31 H new ATOM 1270 N LEU A 88 2.894 3.908 -5.589 1.00 63.41 N ATOM 1271 CA LEU A 88 2.914 2.558 -5.125 1.00 30.24 C ATOM 1272 C LEU A 88 1.982 1.784 -5.965 1.00 13.33 C ATOM 1273 O LEU A 88 0.896 2.240 -6.300 1.00 71.01 O ATOM 1274 CB LEU A 88 2.553 2.368 -3.611 1.00 53.22 C ATOM 1275 CG LEU A 88 1.086 2.692 -3.188 1.00 33.32 C ATOM 1276 CD1 LEU A 88 0.885 2.524 -1.679 1.00 45.04 C ATOM 1277 CD2 LEU A 88 0.571 4.054 -3.675 1.00 33.22 C ATOM 0 H LEU A 88 2.025 4.199 -6.037 1.00 63.41 H new ATOM 0 HA LEU A 88 3.942 2.207 -5.208 1.00 30.24 H new ATOM 0 HB2 LEU A 88 2.764 1.334 -3.339 1.00 53.22 H new ATOM 0 HB3 LEU A 88 3.222 2.995 -3.022 1.00 53.22 H new ATOM 0 HG LEU A 88 0.472 1.953 -3.703 1.00 33.32 H new ATOM 0 HD11 LEU A 88 -0.148 2.758 -1.421 1.00 45.04 H new ATOM 0 HD12 LEU A 88 1.106 1.495 -1.395 1.00 45.04 H new ATOM 0 HD13 LEU A 88 1.554 3.199 -1.145 1.00 45.04 H new ATOM 0 HD21 LEU A 88 -0.455 4.197 -3.337 1.00 33.22 H new ATOM 0 HD22 LEU A 88 1.200 4.847 -3.271 1.00 33.22 H new ATOM 0 HD23 LEU A 88 0.602 4.086 -4.764 1.00 33.22 H new ATOM 1289 N LEU A 89 2.429 0.617 -6.399 1.00 44.21 N ATOM 1290 CA LEU A 89 1.624 -0.274 -7.178 1.00 2.00 C ATOM 1291 C LEU A 89 0.750 -1.031 -6.232 1.00 41.45 C ATOM 1292 O LEU A 89 1.192 -1.432 -5.144 1.00 20.13 O ATOM 1293 CB LEU A 89 2.489 -1.338 -7.925 1.00 23.05 C ATOM 1294 CG LEU A 89 3.223 -0.841 -9.183 1.00 55.32 C ATOM 1295 CD1 LEU A 89 2.262 -0.528 -10.332 1.00 32.02 C ATOM 1296 CD2 LEU A 89 4.210 0.293 -8.911 1.00 3.41 C ATOM 0 H LEU A 89 3.370 0.270 -6.213 1.00 44.21 H new ATOM 0 HA LEU A 89 1.070 0.316 -7.908 1.00 2.00 H new ATOM 0 HB2 LEU A 89 3.228 -1.732 -7.228 1.00 23.05 H new ATOM 0 HB3 LEU A 89 1.844 -2.169 -8.209 1.00 23.05 H new ATOM 0 HG LEU A 89 3.839 -1.678 -9.511 1.00 55.32 H new ATOM 0 HD11 LEU A 89 2.829 -0.181 -11.196 1.00 32.02 H new ATOM 0 HD12 LEU A 89 1.708 -1.428 -10.599 1.00 32.02 H new ATOM 0 HD13 LEU A 89 1.563 0.249 -10.021 1.00 32.02 H new ATOM 0 HD21 LEU A 89 4.689 0.590 -9.844 1.00 3.41 H new ATOM 0 HD22 LEU A 89 3.678 1.145 -8.489 1.00 3.41 H new ATOM 0 HD23 LEU A 89 4.969 -0.046 -8.206 1.00 3.41 H new ATOM 1308 N LEU A 90 -0.498 -1.258 -6.651 1.00 2.24 N ATOM 1309 CA LEU A 90 -1.415 -2.056 -5.877 1.00 1.11 C ATOM 1310 C LEU A 90 -1.732 -3.223 -6.718 1.00 71.21 C ATOM 1311 O LEU A 90 -1.555 -3.189 -7.944 1.00 50.30 O ATOM 1312 CB LEU A 90 -2.801 -1.416 -5.557 1.00 70.00 C ATOM 1313 CG LEU A 90 -2.818 0.084 -5.264 1.00 11.35 C ATOM 1314 CD1 LEU A 90 -1.948 0.511 -4.092 1.00 33.32 C ATOM 1315 CD2 LEU A 90 -2.575 0.919 -6.505 1.00 54.43 C ATOM 0 H LEU A 90 -0.884 -0.895 -7.523 1.00 2.24 H new ATOM 0 HA LEU A 90 -0.921 -2.238 -4.923 1.00 1.11 H new ATOM 0 HB2 LEU A 90 -3.465 -1.605 -6.401 1.00 70.00 H new ATOM 0 HB3 LEU A 90 -3.224 -1.935 -4.697 1.00 70.00 H new ATOM 0 HG LEU A 90 -3.837 0.289 -4.935 1.00 11.35 H new ATOM 0 HD11 LEU A 90 -2.022 1.590 -3.958 1.00 33.32 H new ATOM 0 HD12 LEU A 90 -2.286 0.009 -3.186 1.00 33.32 H new ATOM 0 HD13 LEU A 90 -0.911 0.240 -4.291 1.00 33.32 H new ATOM 0 HD21 LEU A 90 -2.597 1.977 -6.242 1.00 54.43 H new ATOM 0 HD22 LEU A 90 -1.601 0.670 -6.926 1.00 54.43 H new ATOM 0 HD23 LEU A 90 -3.352 0.712 -7.241 1.00 54.43 H new ATOM 1327 N GLU A 91 -2.280 -4.249 -6.096 1.00 23.41 N ATOM 1328 CA GLU A 91 -2.912 -5.309 -6.795 1.00 11.03 C ATOM 1329 C GLU A 91 -4.203 -5.414 -6.067 1.00 43.11 C ATOM 1330 O GLU A 91 -4.233 -5.250 -4.843 1.00 63.25 O ATOM 1331 CB GLU A 91 -2.145 -6.651 -6.653 1.00 21.03 C ATOM 1332 CG GLU A 91 -2.789 -7.879 -7.306 1.00 42.14 C ATOM 1333 CD GLU A 91 -1.880 -9.060 -7.016 1.00 71.52 C ATOM 1334 OE1 GLU A 91 -0.730 -9.099 -7.530 1.00 63.14 O ATOM 1335 OE2 GLU A 91 -2.287 -9.945 -6.238 1.00 22.24 O ATOM 0 H GLU A 91 -2.290 -4.355 -5.082 1.00 23.41 H new ATOM 0 HA GLU A 91 -2.983 -5.122 -7.866 1.00 11.03 H new ATOM 0 HB2 GLU A 91 -1.149 -6.522 -7.078 1.00 21.03 H new ATOM 0 HB3 GLU A 91 -2.014 -6.859 -5.591 1.00 21.03 H new ATOM 0 HG2 GLU A 91 -3.787 -8.052 -6.903 1.00 42.14 H new ATOM 0 HG3 GLU A 91 -2.900 -7.732 -8.380 1.00 42.14 H new ATOM 1342 N LYS A 92 -5.317 -5.619 -6.788 1.00 73.33 N ATOM 1343 CA LYS A 92 -6.604 -5.709 -6.112 1.00 11.21 C ATOM 1344 C LYS A 92 -6.601 -6.948 -5.261 1.00 1.24 C ATOM 1345 O LYS A 92 -6.069 -7.979 -5.648 1.00 15.35 O ATOM 1346 CB LYS A 92 -7.844 -5.757 -7.047 1.00 63.34 C ATOM 1347 CG LYS A 92 -8.117 -4.435 -7.784 1.00 22.54 C ATOM 1348 CD LYS A 92 -8.477 -3.255 -6.843 1.00 4.23 C ATOM 1349 CE LYS A 92 -9.858 -3.380 -6.154 1.00 1.33 C ATOM 1350 NZ LYS A 92 -10.960 -3.366 -7.144 1.00 2.24 N ATOM 0 H LYS A 92 -5.347 -5.721 -7.802 1.00 73.33 H new ATOM 0 HA LYS A 92 -6.705 -4.791 -5.534 1.00 11.21 H new ATOM 0 HB2 LYS A 92 -7.703 -6.549 -7.782 1.00 63.34 H new ATOM 0 HB3 LYS A 92 -8.722 -6.022 -6.458 1.00 63.34 H new ATOM 0 HG2 LYS A 92 -7.236 -4.167 -8.367 1.00 22.54 H new ATOM 0 HG3 LYS A 92 -8.933 -4.586 -8.491 1.00 22.54 H new ATOM 0 HD2 LYS A 92 -7.708 -3.172 -6.075 1.00 4.23 H new ATOM 0 HD3 LYS A 92 -8.454 -2.329 -7.418 1.00 4.23 H new ATOM 0 HE2 LYS A 92 -9.896 -4.305 -5.578 1.00 1.33 H new ATOM 0 HE3 LYS A 92 -9.990 -2.559 -5.449 1.00 1.33 H new ATOM 0 HZ1 LYS A 92 -11.872 -3.315 -6.647 1.00 2.24 H new ATOM 0 HZ2 LYS A 92 -10.857 -2.539 -7.766 1.00 2.24 H new ATOM 0 HZ3 LYS A 92 -10.925 -4.235 -7.715 1.00 2.24 H new ATOM 1364 N GLY A 93 -7.222 -6.840 -4.079 1.00 34.54 N ATOM 1365 CA GLY A 93 -7.309 -7.957 -3.151 1.00 44.45 C ATOM 1366 C GLY A 93 -8.700 -8.471 -3.263 1.00 25.11 C ATOM 1367 O GLY A 93 -9.193 -9.228 -2.410 1.00 72.33 O ATOM 0 H GLY A 93 -7.670 -5.985 -3.749 1.00 34.54 H new ATOM 0 HA2 GLY A 93 -6.585 -8.732 -3.403 1.00 44.45 H new ATOM 0 HA3 GLY A 93 -7.092 -7.636 -2.132 1.00 44.45 H new