USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 469 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 25 HIS :FLIP no HE2:sc= -0.0249 F(o=-1.2,f=-0.37) USER MOD Set 1.2: A 64 ASN :FLIP amide:sc= -0.345 F(o=-1.4,f=-0.37) USER MOD Set 2.1: A 61 MET CE :methyl -143:sc= -0.832 (180deg=-3.25!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -0.0741 USER MOD Set 3.1: A 8 MET CE :methyl -163:sc= 0 (180deg=-0.142) USER MOD Set 3.2: A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.18 X(o=0.18,f=-0.0048) USER MOD Single : A 5 MET CE :methyl -166:sc= 0 (180deg=-0.117) USER MOD Single : A 11 GLN : amide:sc= -0.0537 X(o=-0.054,f=-0.13) USER MOD Single : A 14 THR OG1 : rot -87:sc= 1.58 USER MOD Single : A 21 GLN : amide:sc= -0.569 K(o=-0.57,f=-2.1!) USER MOD Single : A 23 GLN : amide:sc=-0.00794 X(o=-0.0079,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 1.06 K(o=1.1,f=-0.44) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 53 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 55 GLN : amide:sc= 1.14 K(o=1.1,f=-0.056) USER MOD Single : A 58 THR OG1 : rot -63:sc= 0.0671 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.0039) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.101 F(o=-1.2,f=-0.1) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= -0.142 (180deg=-1.39!) USER MOD Single : A 77 MET CE :methyl -161:sc= -0.0951 (180deg=-0.446) USER MOD Single : A 78 HIS : no HE2:sc= -0.766 K(o=-0.77,f=-2.8) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -6.407 5.890 -0.803 1.00 43.23 N ATOM 12 CA ASN A 2 -5.908 5.623 0.540 1.00 62.01 C ATOM 13 C ASN A 2 -5.352 4.189 0.620 1.00 4.22 C ATOM 14 O ASN A 2 -5.085 3.693 1.711 1.00 0.21 O ATOM 15 CB ASN A 2 -7.002 5.868 1.588 1.00 51.51 C ATOM 16 CG ASN A 2 -8.142 4.853 1.549 1.00 22.32 C ATOM 17 OD1 ASN A 2 -8.932 4.843 0.606 1.00 1.35 O ATOM 18 ND2 ASN A 2 -8.284 4.005 2.549 1.00 33.31 N ATOM 0 HA ASN A 2 -5.093 6.313 0.759 1.00 62.01 H new ATOM 0 HB2 ASN A 2 -6.550 5.852 2.580 1.00 51.51 H new ATOM 0 HB3 ASN A 2 -7.414 6.866 1.441 1.00 51.51 H new ATOM 0 HD21 ASN A 2 -9.053 3.335 2.544 1.00 33.31 H new ATOM 0 HD22 ASN A 2 -7.625 4.019 3.327 1.00 33.31 H new ATOM 24 N ILE A 3 -5.158 3.532 -0.529 1.00 33.04 N ATOM 25 CA ILE A 3 -4.580 2.207 -0.702 1.00 75.33 C ATOM 26 C ILE A 3 -3.450 2.359 -1.716 1.00 11.34 C ATOM 27 O ILE A 3 -3.649 2.919 -2.805 1.00 3.14 O ATOM 28 CB ILE A 3 -5.623 1.160 -1.163 1.00 64.34 C ATOM 29 CG1 ILE A 3 -6.778 1.088 -0.141 1.00 23.35 C ATOM 30 CG2 ILE A 3 -4.965 -0.220 -1.340 1.00 44.51 C ATOM 31 CD1 ILE A 3 -7.838 0.032 -0.455 1.00 61.23 C ATOM 0 H ILE A 3 -5.422 3.947 -1.422 1.00 33.04 H new ATOM 0 HA ILE A 3 -4.207 1.831 0.251 1.00 75.33 H new ATOM 0 HB ILE A 3 -6.027 1.465 -2.128 1.00 64.34 H new ATOM 0 HG12 ILE A 3 -6.361 0.884 0.845 1.00 23.35 H new ATOM 0 HG13 ILE A 3 -7.260 2.064 -0.088 1.00 23.35 H new ATOM 0 HG21 ILE A 3 -5.715 -0.942 -1.664 1.00 44.51 H new ATOM 0 HG22 ILE A 3 -4.177 -0.154 -2.090 1.00 44.51 H new ATOM 0 HG23 ILE A 3 -4.537 -0.543 -0.391 1.00 44.51 H new ATOM 0 HD11 ILE A 3 -8.610 0.052 0.314 1.00 61.23 H new ATOM 0 HD12 ILE A 3 -8.287 0.244 -1.425 1.00 61.23 H new ATOM 0 HD13 ILE A 3 -7.374 -0.954 -0.478 1.00 61.23 H new ATOM 42 N VAL A 4 -2.293 1.845 -1.327 1.00 32.13 N ATOM 43 CA VAL A 4 -1.037 1.812 -2.045 1.00 64.41 C ATOM 44 C VAL A 4 -0.694 0.333 -2.211 1.00 12.43 C ATOM 45 O VAL A 4 -0.436 -0.370 -1.231 1.00 73.12 O ATOM 46 CB VAL A 4 0.011 2.640 -1.281 1.00 64.14 C ATOM 47 CG1 VAL A 4 1.353 2.535 -2.001 1.00 13.11 C ATOM 48 CG2 VAL A 4 -0.407 4.123 -1.236 1.00 24.31 C ATOM 0 H VAL A 4 -2.207 1.399 -0.414 1.00 32.13 H new ATOM 0 HA VAL A 4 -1.079 2.268 -3.034 1.00 64.41 H new ATOM 0 HB VAL A 4 0.090 2.255 -0.264 1.00 64.14 H new ATOM 0 HG11 VAL A 4 2.100 3.120 -1.465 1.00 13.11 H new ATOM 0 HG12 VAL A 4 1.666 1.492 -2.037 1.00 13.11 H new ATOM 0 HG13 VAL A 4 1.252 2.919 -3.016 1.00 13.11 H new ATOM 0 HG21 VAL A 4 0.344 4.696 -0.692 1.00 24.31 H new ATOM 0 HG22 VAL A 4 -0.492 4.508 -2.252 1.00 24.31 H new ATOM 0 HG23 VAL A 4 -1.369 4.215 -0.732 1.00 24.31 H new ATOM 58 N MET A 5 -0.757 -0.144 -3.453 1.00 40.13 N ATOM 59 CA MET A 5 -0.426 -1.510 -3.817 1.00 33.44 C ATOM 60 C MET A 5 1.052 -1.564 -4.153 1.00 63.44 C ATOM 61 O MET A 5 1.481 -0.897 -5.094 1.00 15.23 O ATOM 62 CB MET A 5 -1.277 -1.959 -5.012 1.00 35.24 C ATOM 63 CG MET A 5 -1.389 -3.488 -5.054 1.00 23.42 C ATOM 64 SD MET A 5 -0.394 -4.306 -6.320 1.00 31.35 S ATOM 65 CE MET A 5 -1.273 -3.751 -7.789 1.00 72.21 C ATOM 0 H MET A 5 -1.047 0.426 -4.248 1.00 40.13 H new ATOM 0 HA MET A 5 -0.638 -2.187 -2.989 1.00 33.44 H new ATOM 0 HB2 MET A 5 -2.272 -1.518 -4.942 1.00 35.24 H new ATOM 0 HB3 MET A 5 -0.832 -1.596 -5.939 1.00 35.24 H new ATOM 0 HG2 MET A 5 -1.102 -3.883 -4.080 1.00 23.42 H new ATOM 0 HG3 MET A 5 -2.434 -3.754 -5.210 1.00 23.42 H new ATOM 0 HE1 MET A 5 -0.961 -4.347 -8.647 1.00 72.21 H new ATOM 0 HE2 MET A 5 -2.346 -3.868 -7.637 1.00 72.21 H new ATOM 0 HE3 MET A 5 -1.045 -2.701 -7.975 1.00 72.21 H new ATOM 73 N LEU A 6 1.831 -2.308 -3.370 1.00 40.21 N ATOM 74 CA LEU A 6 3.262 -2.489 -3.585 1.00 62.22 C ATOM 75 C LEU A 6 3.430 -3.647 -4.556 1.00 60.31 C ATOM 76 O LEU A 6 3.308 -4.795 -4.135 1.00 44.30 O ATOM 77 CB LEU A 6 4.005 -2.817 -2.270 1.00 20.21 C ATOM 78 CG LEU A 6 4.049 -1.740 -1.174 1.00 4.12 C ATOM 79 CD1 LEU A 6 4.523 -0.385 -1.712 1.00 42.44 C ATOM 80 CD2 LEU A 6 2.695 -1.611 -0.466 1.00 72.13 C ATOM 0 H LEU A 6 1.478 -2.810 -2.555 1.00 40.21 H new ATOM 0 HA LEU A 6 3.686 -1.564 -3.976 1.00 62.22 H new ATOM 0 HB2 LEU A 6 3.547 -3.709 -1.842 1.00 20.21 H new ATOM 0 HB3 LEU A 6 5.033 -3.076 -2.524 1.00 20.21 H new ATOM 0 HG LEU A 6 4.785 -2.066 -0.439 1.00 4.12 H new ATOM 0 HD11 LEU A 6 4.538 0.343 -0.901 1.00 42.44 H new ATOM 0 HD12 LEU A 6 5.526 -0.488 -2.125 1.00 42.44 H new ATOM 0 HD13 LEU A 6 3.842 -0.045 -2.493 1.00 42.44 H new ATOM 0 HD21 LEU A 6 2.759 -0.842 0.303 1.00 72.13 H new ATOM 0 HD22 LEU A 6 1.930 -1.336 -1.192 1.00 72.13 H new ATOM 0 HD23 LEU A 6 2.433 -2.564 -0.006 1.00 72.13 H new ATOM 91 N ARG A 7 3.659 -3.391 -5.844 1.00 31.32 N ATOM 92 CA ARG A 7 4.040 -4.463 -6.764 1.00 22.52 C ATOM 93 C ARG A 7 5.515 -4.769 -6.556 1.00 33.41 C ATOM 94 O ARG A 7 6.297 -3.859 -6.285 1.00 34.23 O ATOM 95 CB ARG A 7 3.783 -4.065 -8.225 1.00 54.42 C ATOM 96 CG ARG A 7 2.283 -4.027 -8.532 1.00 41.12 C ATOM 97 CD ARG A 7 1.984 -3.677 -9.993 1.00 75.24 C ATOM 98 NE ARG A 7 2.110 -4.833 -10.889 1.00 43.23 N ATOM 99 CZ ARG A 7 1.241 -5.255 -11.815 1.00 20.42 C ATOM 100 NH1 ARG A 7 0.205 -4.512 -12.193 1.00 72.42 N ATOM 101 NH2 ARG A 7 1.429 -6.459 -12.342 1.00 61.40 N ATOM 0 H ARG A 7 3.589 -2.466 -6.269 1.00 31.32 H new ATOM 0 HA ARG A 7 3.435 -5.346 -6.557 1.00 22.52 H new ATOM 0 HB2 ARG A 7 4.222 -3.087 -8.421 1.00 54.42 H new ATOM 0 HB3 ARG A 7 4.275 -4.774 -8.890 1.00 54.42 H new ATOM 0 HG2 ARG A 7 1.845 -4.997 -8.299 1.00 41.12 H new ATOM 0 HG3 ARG A 7 1.802 -3.295 -7.882 1.00 41.12 H new ATOM 0 HD2 ARG A 7 0.974 -3.274 -10.066 1.00 75.24 H new ATOM 0 HD3 ARG A 7 2.665 -2.892 -10.321 1.00 75.24 H new ATOM 0 HE ARG A 7 2.965 -5.382 -10.794 1.00 43.23 H new ATOM 0 HH11 ARG A 7 0.056 -3.594 -11.775 1.00 72.42 H new ATOM 0 HH12 ARG A 7 -0.441 -4.860 -12.901 1.00 72.42 H new ATOM 0 HH21 ARG A 7 2.217 -7.031 -12.038 1.00 61.40 H new ATOM 0 HH22 ARG A 7 0.785 -6.812 -13.050 1.00 61.40 H new ATOM 112 N MET A 8 5.903 -6.014 -6.840 1.00 14.45 N ATOM 113 CA MET A 8 7.287 -6.491 -6.894 1.00 61.41 C ATOM 114 C MET A 8 7.891 -6.673 -5.494 1.00 53.42 C ATOM 115 O MET A 8 9.022 -6.262 -5.221 1.00 40.10 O ATOM 116 CB MET A 8 8.141 -5.626 -7.847 1.00 22.13 C ATOM 117 CG MET A 8 7.416 -5.328 -9.166 1.00 33.35 C ATOM 118 SD MET A 8 8.399 -4.669 -10.529 1.00 63.12 S ATOM 119 CE MET A 8 9.238 -3.281 -9.718 1.00 41.11 C ATOM 0 H MET A 8 5.230 -6.751 -7.048 1.00 14.45 H new ATOM 0 HA MET A 8 7.285 -7.492 -7.326 1.00 61.41 H new ATOM 0 HB2 MET A 8 8.395 -4.688 -7.354 1.00 22.13 H new ATOM 0 HB3 MET A 8 9.079 -6.139 -8.058 1.00 22.13 H new ATOM 0 HG2 MET A 8 6.945 -6.250 -9.506 1.00 33.35 H new ATOM 0 HG3 MET A 8 6.615 -4.620 -8.956 1.00 33.35 H new ATOM 0 HE1 MET A 8 9.635 -2.604 -10.474 1.00 41.11 H new ATOM 0 HE2 MET A 8 8.528 -2.745 -9.087 1.00 41.11 H new ATOM 0 HE3 MET A 8 10.056 -3.659 -9.104 1.00 41.11 H new ATOM 127 N LEU A 9 7.139 -7.293 -4.581 1.00 32.11 N ATOM 128 CA LEU A 9 7.682 -7.739 -3.308 1.00 60.24 C ATOM 129 C LEU A 9 8.338 -9.119 -3.478 1.00 34.31 C ATOM 130 O LEU A 9 7.751 -9.976 -4.152 1.00 0.24 O ATOM 131 CB LEU A 9 6.548 -7.838 -2.277 1.00 34.21 C ATOM 132 CG LEU A 9 5.880 -6.500 -1.904 1.00 14.35 C ATOM 133 CD1 LEU A 9 4.784 -6.756 -0.863 1.00 22.55 C ATOM 134 CD2 LEU A 9 6.873 -5.477 -1.339 1.00 0.34 C ATOM 0 H LEU A 9 6.147 -7.496 -4.707 1.00 32.11 H new ATOM 0 HA LEU A 9 8.430 -7.024 -2.965 1.00 60.24 H new ATOM 0 HB2 LEU A 9 5.784 -8.511 -2.665 1.00 34.21 H new ATOM 0 HB3 LEU A 9 6.943 -8.294 -1.369 1.00 34.21 H new ATOM 0 HG LEU A 9 5.464 -6.081 -2.820 1.00 14.35 H new ATOM 0 HD11 LEU A 9 4.308 -5.812 -0.596 1.00 22.55 H new ATOM 0 HD12 LEU A 9 4.038 -7.433 -1.279 1.00 22.55 H new ATOM 0 HD13 LEU A 9 5.225 -7.205 0.027 1.00 22.55 H new ATOM 0 HD21 LEU A 9 6.346 -4.555 -1.094 1.00 0.34 H new ATOM 0 HD22 LEU A 9 7.337 -5.879 -0.439 1.00 0.34 H new ATOM 0 HD23 LEU A 9 7.643 -5.269 -2.082 1.00 0.34 H new ATOM 145 N PRO A 10 9.454 -9.398 -2.778 1.00 4.35 N ATOM 146 CA PRO A 10 10.104 -10.702 -2.739 1.00 1.24 C ATOM 147 C PRO A 10 9.270 -11.696 -1.947 1.00 73.14 C ATOM 148 O PRO A 10 8.307 -11.332 -1.262 1.00 64.53 O ATOM 149 CB PRO A 10 11.467 -10.484 -2.069 1.00 40.42 C ATOM 150 CG PRO A 10 11.246 -9.249 -1.206 1.00 13.24 C ATOM 151 CD PRO A 10 10.250 -8.444 -2.033 1.00 60.33 C ATOM 0 HA PRO A 10 10.218 -11.114 -3.742 1.00 1.24 H new ATOM 0 HB2 PRO A 10 11.762 -11.345 -1.469 1.00 40.42 H new ATOM 0 HB3 PRO A 10 12.255 -10.324 -2.805 1.00 40.42 H new ATOM 0 HG2 PRO A 10 10.846 -9.505 -0.225 1.00 13.24 H new ATOM 0 HG3 PRO A 10 12.172 -8.700 -1.039 1.00 13.24 H new ATOM 0 HD2 PRO A 10 9.618 -7.833 -1.389 1.00 60.33 H new ATOM 0 HD3 PRO A 10 10.769 -7.764 -2.708 1.00 60.33 H new ATOM 156 N GLN A 11 9.674 -12.962 -2.000 1.00 31.53 N ATOM 157 CA GLN A 11 8.942 -14.024 -1.333 1.00 40.20 C ATOM 158 C GLN A 11 9.097 -13.929 0.187 1.00 55.22 C ATOM 159 O GLN A 11 8.199 -14.380 0.900 1.00 20.52 O ATOM 160 CB GLN A 11 9.405 -15.390 -1.866 1.00 3.05 C ATOM 161 CG GLN A 11 8.596 -16.585 -1.341 1.00 42.00 C ATOM 162 CD GLN A 11 7.111 -16.514 -1.698 1.00 20.22 C ATOM 163 OE1 GLN A 11 6.659 -17.136 -2.654 1.00 32.24 O ATOM 164 NE2 GLN A 11 6.316 -15.763 -0.954 1.00 75.12 N ATOM 0 H GLN A 11 10.507 -13.274 -2.500 1.00 31.53 H new ATOM 0 HA GLN A 11 7.880 -13.913 -1.552 1.00 40.20 H new ATOM 0 HB2 GLN A 11 9.349 -15.379 -2.954 1.00 3.05 H new ATOM 0 HB3 GLN A 11 10.453 -15.533 -1.602 1.00 3.05 H new ATOM 0 HG2 GLN A 11 9.016 -17.505 -1.746 1.00 42.00 H new ATOM 0 HG3 GLN A 11 8.700 -16.637 -0.257 1.00 42.00 H new ATOM 0 HE21 GLN A 11 6.697 -15.248 -0.160 1.00 75.12 H new ATOM 0 HE22 GLN A 11 5.322 -15.699 -1.174 1.00 75.12 H new ATOM 171 N ALA A 12 10.216 -13.372 0.666 1.00 11.11 N ATOM 172 CA ALA A 12 10.514 -13.241 2.087 1.00 2.15 C ATOM 173 C ALA A 12 9.741 -12.101 2.746 1.00 51.31 C ATOM 174 O ALA A 12 9.410 -12.222 3.923 1.00 34.24 O ATOM 175 CB ALA A 12 12.014 -13.004 2.288 1.00 24.22 C ATOM 0 H ALA A 12 10.948 -12.996 0.063 1.00 11.11 H new ATOM 0 HA ALA A 12 10.206 -14.173 2.560 1.00 2.15 H new ATOM 0 HB1 ALA A 12 12.228 -12.907 3.352 1.00 24.22 H new ATOM 0 HB2 ALA A 12 12.573 -13.846 1.881 1.00 24.22 H new ATOM 0 HB3 ALA A 12 12.310 -12.089 1.774 1.00 24.22 H new ATOM 181 N ALA A 13 9.479 -11.020 1.996 1.00 73.31 N ATOM 182 CA ALA A 13 8.994 -9.740 2.508 1.00 15.03 C ATOM 183 C ALA A 13 7.864 -9.929 3.524 1.00 63.10 C ATOM 184 O ALA A 13 6.860 -10.588 3.208 1.00 61.02 O ATOM 185 CB ALA A 13 8.516 -8.874 1.334 1.00 44.04 C ATOM 0 H ALA A 13 9.605 -11.018 0.984 1.00 73.31 H new ATOM 0 HA ALA A 13 9.815 -9.242 3.025 1.00 15.03 H new ATOM 0 HB1 ALA A 13 8.153 -7.918 1.711 1.00 44.04 H new ATOM 0 HB2 ALA A 13 9.345 -8.702 0.647 1.00 44.04 H new ATOM 0 HB3 ALA A 13 7.710 -9.386 0.809 1.00 44.04 H new ATOM 191 N THR A 14 8.042 -9.352 4.717 1.00 13.45 N ATOM 192 CA THR A 14 7.075 -9.459 5.794 1.00 41.50 C ATOM 193 C THR A 14 6.222 -8.199 5.840 1.00 74.43 C ATOM 194 O THR A 14 6.560 -7.150 5.288 1.00 0.11 O ATOM 195 CB THR A 14 7.786 -9.736 7.132 1.00 53.30 C ATOM 196 OG1 THR A 14 8.573 -8.629 7.500 1.00 31.35 O ATOM 197 CG2 THR A 14 8.661 -10.992 7.105 1.00 2.24 C ATOM 0 H THR A 14 8.865 -8.798 4.955 1.00 13.45 H new ATOM 0 HA THR A 14 6.411 -10.304 5.610 1.00 41.50 H new ATOM 0 HB THR A 14 6.999 -9.908 7.867 1.00 53.30 H new ATOM 0 HG1 THR A 14 9.458 -8.704 7.085 1.00 31.35 H new ATOM 0 HG21 THR A 14 9.132 -11.128 8.078 1.00 2.24 H new ATOM 0 HG22 THR A 14 8.044 -11.861 6.876 1.00 2.24 H new ATOM 0 HG23 THR A 14 9.431 -10.883 6.341 1.00 2.24 H new ATOM 205 N GLU A 15 5.081 -8.297 6.506 1.00 4.24 N ATOM 206 CA GLU A 15 4.231 -7.159 6.765 1.00 31.44 C ATOM 207 C GLU A 15 4.916 -6.192 7.745 1.00 20.11 C ATOM 208 O GLU A 15 4.672 -4.989 7.699 1.00 64.10 O ATOM 209 CB GLU A 15 2.909 -7.711 7.296 1.00 51.43 C ATOM 210 CG GLU A 15 1.739 -6.775 7.028 1.00 41.43 C ATOM 211 CD GLU A 15 0.457 -7.381 7.585 1.00 4.14 C ATOM 212 OE1 GLU A 15 0.326 -7.412 8.826 1.00 23.33 O ATOM 213 OE2 GLU A 15 -0.378 -7.842 6.775 1.00 71.42 O ATOM 0 H GLU A 15 4.723 -9.175 6.881 1.00 4.24 H new ATOM 0 HA GLU A 15 4.042 -6.576 5.863 1.00 31.44 H new ATOM 0 HB2 GLU A 15 2.710 -8.678 6.834 1.00 51.43 H new ATOM 0 HB3 GLU A 15 2.995 -7.883 8.369 1.00 51.43 H new ATOM 0 HG2 GLU A 15 1.924 -5.805 7.489 1.00 41.43 H new ATOM 0 HG3 GLU A 15 1.636 -6.604 5.956 1.00 41.43 H new ATOM 218 N ASP A 16 5.816 -6.714 8.582 1.00 22.05 N ATOM 219 CA ASP A 16 6.636 -5.960 9.526 1.00 34.22 C ATOM 220 C ASP A 16 7.689 -5.139 8.776 1.00 43.54 C ATOM 221 O ASP A 16 7.929 -3.983 9.120 1.00 21.21 O ATOM 222 CB ASP A 16 7.324 -6.956 10.473 1.00 12.23 C ATOM 223 CG ASP A 16 7.541 -6.386 11.869 1.00 13.55 C ATOM 224 OD1 ASP A 16 6.575 -5.850 12.454 1.00 32.43 O ATOM 225 OD2 ASP A 16 8.646 -6.563 12.430 1.00 34.04 O ATOM 0 H ASP A 16 5.999 -7.717 8.620 1.00 22.05 H new ATOM 0 HA ASP A 16 6.009 -5.273 10.094 1.00 34.22 H new ATOM 0 HB2 ASP A 16 6.720 -7.860 10.544 1.00 12.23 H new ATOM 0 HB3 ASP A 16 8.286 -7.248 10.051 1.00 12.23 H new ATOM 229 N ASP A 17 8.252 -5.697 7.691 1.00 13.24 N ATOM 230 CA ASP A 17 9.154 -4.999 6.775 1.00 22.04 C ATOM 231 C ASP A 17 8.448 -3.751 6.238 1.00 12.52 C ATOM 232 O ASP A 17 9.035 -2.670 6.177 1.00 51.30 O ATOM 233 CB ASP A 17 9.639 -5.880 5.606 1.00 73.22 C ATOM 234 CG ASP A 17 10.733 -6.893 5.951 1.00 53.10 C ATOM 235 OD1 ASP A 17 11.829 -6.434 6.337 1.00 64.13 O ATOM 236 OD2 ASP A 17 10.492 -8.121 5.792 1.00 21.03 O ATOM 0 H ASP A 17 8.085 -6.668 7.425 1.00 13.24 H new ATOM 0 HA ASP A 17 10.046 -4.726 7.339 1.00 22.04 H new ATOM 0 HB2 ASP A 17 8.783 -6.420 5.202 1.00 73.22 H new ATOM 0 HB3 ASP A 17 10.008 -5.229 4.813 1.00 73.22 H new ATOM 240 N ILE A 18 7.165 -3.882 5.872 1.00 32.05 N ATOM 241 CA ILE A 18 6.379 -2.747 5.404 1.00 75.11 C ATOM 242 C ILE A 18 6.186 -1.744 6.542 1.00 55.41 C ATOM 243 O ILE A 18 6.281 -0.546 6.289 1.00 21.04 O ATOM 244 CB ILE A 18 5.039 -3.174 4.752 1.00 42.10 C ATOM 245 CG1 ILE A 18 5.314 -4.154 3.592 1.00 71.10 C ATOM 246 CG2 ILE A 18 4.274 -1.941 4.241 1.00 62.01 C ATOM 247 CD1 ILE A 18 4.120 -4.539 2.712 1.00 61.22 C ATOM 0 H ILE A 18 6.656 -4.765 5.893 1.00 32.05 H new ATOM 0 HA ILE A 18 6.937 -2.255 4.607 1.00 75.11 H new ATOM 0 HB ILE A 18 4.423 -3.673 5.501 1.00 42.10 H new ATOM 0 HG12 ILE A 18 6.080 -3.716 2.952 1.00 71.10 H new ATOM 0 HG13 ILE A 18 5.734 -5.068 4.012 1.00 71.10 H new ATOM 0 HG21 ILE A 18 3.336 -2.258 3.786 1.00 62.01 H new ATOM 0 HG22 ILE A 18 4.065 -1.271 5.075 1.00 62.01 H new ATOM 0 HG23 ILE A 18 4.879 -1.419 3.499 1.00 62.01 H new ATOM 0 HD11 ILE A 18 4.448 -5.231 1.936 1.00 61.22 H new ATOM 0 HD12 ILE A 18 3.355 -5.016 3.325 1.00 61.22 H new ATOM 0 HD13 ILE A 18 3.706 -3.644 2.248 1.00 61.22 H new ATOM 258 N ARG A 19 5.901 -2.183 7.774 1.00 52.44 N ATOM 259 CA ARG A 19 5.632 -1.252 8.873 1.00 15.23 C ATOM 260 C ARG A 19 6.791 -0.284 9.081 1.00 32.24 C ATOM 261 O ARG A 19 6.541 0.924 9.184 1.00 73.12 O ATOM 262 CB ARG A 19 5.251 -1.997 10.161 1.00 73.01 C ATOM 263 CG ARG A 19 3.780 -2.428 10.085 1.00 63.01 C ATOM 264 CD ARG A 19 3.307 -3.075 11.388 1.00 20.42 C ATOM 265 NE ARG A 19 1.836 -3.034 11.483 1.00 13.52 N ATOM 266 CZ ARG A 19 1.078 -2.016 11.911 1.00 13.12 C ATOM 267 NH1 ARG A 19 1.644 -0.910 12.374 1.00 21.14 N ATOM 268 NH2 ARG A 19 -0.245 -2.097 11.849 1.00 71.14 N ATOM 0 H ARG A 19 5.851 -3.169 8.032 1.00 52.44 H new ATOM 0 HA ARG A 19 4.768 -0.649 8.594 1.00 15.23 H new ATOM 0 HB2 ARG A 19 5.891 -2.870 10.292 1.00 73.01 H new ATOM 0 HB3 ARG A 19 5.409 -1.353 11.027 1.00 73.01 H new ATOM 0 HG2 ARG A 19 3.158 -1.560 9.864 1.00 63.01 H new ATOM 0 HG3 ARG A 19 3.650 -3.131 9.262 1.00 63.01 H new ATOM 0 HD2 ARG A 19 3.651 -4.108 11.433 1.00 20.42 H new ATOM 0 HD3 ARG A 19 3.747 -2.555 12.239 1.00 20.42 H new ATOM 0 HE ARG A 19 1.340 -3.876 11.190 1.00 13.52 H new ATOM 0 HH11 ARG A 19 2.661 -0.832 12.405 1.00 21.14 H new ATOM 0 HH12 ARG A 19 1.063 -0.137 12.699 1.00 21.14 H new ATOM 0 HH21 ARG A 19 -0.688 -2.936 11.475 1.00 71.14 H new ATOM 0 HH22 ARG A 19 -0.819 -1.320 12.176 1.00 71.14 H new ATOM 279 N GLY A 20 8.030 -0.777 9.060 1.00 13.34 N ATOM 280 CA GLY A 20 9.189 0.102 9.124 1.00 2.43 C ATOM 281 C GLY A 20 9.238 1.047 7.921 1.00 1.31 C ATOM 282 O GLY A 20 9.415 2.259 8.085 1.00 14.20 O ATOM 0 H GLY A 20 8.252 -1.771 9.000 1.00 13.34 H new ATOM 0 HA2 GLY A 20 9.156 0.684 10.045 1.00 2.43 H new ATOM 0 HA3 GLY A 20 10.100 -0.496 9.157 1.00 2.43 H new ATOM 286 N GLN A 21 9.006 0.521 6.714 1.00 42.43 N ATOM 287 CA GLN A 21 9.050 1.277 5.469 1.00 73.12 C ATOM 288 C GLN A 21 7.926 2.307 5.355 1.00 50.15 C ATOM 289 O GLN A 21 7.976 3.116 4.430 1.00 22.14 O ATOM 290 CB GLN A 21 9.050 0.309 4.267 1.00 63.43 C ATOM 291 CG GLN A 21 10.488 -0.084 3.874 1.00 1.44 C ATOM 292 CD GLN A 21 11.061 0.788 2.757 1.00 40.24 C ATOM 293 OE1 GLN A 21 11.715 0.307 1.836 1.00 31.51 O ATOM 294 NE2 GLN A 21 10.811 2.086 2.755 1.00 51.31 N ATOM 0 H GLN A 21 8.778 -0.464 6.578 1.00 42.43 H new ATOM 0 HA GLN A 21 9.978 1.849 5.468 1.00 73.12 H new ATOM 0 HB2 GLN A 21 8.480 -0.586 4.516 1.00 63.43 H new ATOM 0 HB3 GLN A 21 8.552 0.778 3.418 1.00 63.43 H new ATOM 0 HG2 GLN A 21 11.131 -0.011 4.751 1.00 1.44 H new ATOM 0 HG3 GLN A 21 10.500 -1.127 3.556 1.00 1.44 H new ATOM 0 HE21 GLN A 21 10.269 2.502 3.512 1.00 51.31 H new ATOM 0 HE22 GLN A 21 11.160 2.671 1.996 1.00 51.31 H new ATOM 301 N LEU A 22 6.941 2.323 6.256 1.00 3.53 N ATOM 302 CA LEU A 22 5.960 3.394 6.377 1.00 62.41 C ATOM 303 C LEU A 22 6.485 4.452 7.330 1.00 65.04 C ATOM 304 O LEU A 22 6.593 5.626 6.960 1.00 31.34 O ATOM 305 CB LEU A 22 4.630 2.859 6.923 1.00 65.41 C ATOM 306 CG LEU A 22 3.959 1.841 5.990 1.00 51.33 C ATOM 307 CD1 LEU A 22 2.877 1.083 6.747 1.00 42.42 C ATOM 308 CD2 LEU A 22 3.312 2.547 4.815 1.00 1.12 C ATOM 0 H LEU A 22 6.804 1.574 6.934 1.00 3.53 H new ATOM 0 HA LEU A 22 5.793 3.819 5.387 1.00 62.41 H new ATOM 0 HB2 LEU A 22 4.804 2.393 7.893 1.00 65.41 H new ATOM 0 HB3 LEU A 22 3.950 3.695 7.088 1.00 65.41 H new ATOM 0 HG LEU A 22 4.723 1.152 5.630 1.00 51.33 H new ATOM 0 HD11 LEU A 22 2.404 0.362 6.080 1.00 42.42 H new ATOM 0 HD12 LEU A 22 3.324 0.558 7.591 1.00 42.42 H new ATOM 0 HD13 LEU A 22 2.128 1.786 7.112 1.00 42.42 H new ATOM 0 HD21 LEU A 22 2.841 1.811 4.163 1.00 1.12 H new ATOM 0 HD22 LEU A 22 2.558 3.244 5.180 1.00 1.12 H new ATOM 0 HD23 LEU A 22 4.071 3.094 4.256 1.00 1.12 H new ATOM 319 N GLN A 23 6.791 4.039 8.565 1.00 2.53 N ATOM 320 CA GLN A 23 7.103 4.965 9.640 1.00 30.24 C ATOM 321 C GLN A 23 8.336 5.807 9.328 1.00 30.31 C ATOM 322 O GLN A 23 8.397 6.948 9.787 1.00 50.33 O ATOM 323 CB GLN A 23 7.297 4.227 10.967 1.00 22.32 C ATOM 324 CG GLN A 23 5.987 3.718 11.585 1.00 32.12 C ATOM 325 CD GLN A 23 6.169 3.411 13.071 1.00 51.34 C ATOM 326 OE1 GLN A 23 6.159 2.251 13.482 1.00 71.33 O ATOM 327 NE2 GLN A 23 6.389 4.412 13.910 1.00 54.33 N ATOM 0 H GLN A 23 6.827 3.057 8.838 1.00 2.53 H new ATOM 0 HA GLN A 23 6.250 5.637 9.732 1.00 30.24 H new ATOM 0 HB2 GLN A 23 7.967 3.382 10.808 1.00 22.32 H new ATOM 0 HB3 GLN A 23 7.788 4.894 11.676 1.00 22.32 H new ATOM 0 HG2 GLN A 23 5.205 4.466 11.457 1.00 32.12 H new ATOM 0 HG3 GLN A 23 5.658 2.820 11.062 1.00 32.12 H new ATOM 0 HE21 GLN A 23 6.397 5.373 13.567 1.00 54.33 H new ATOM 0 HE22 GLN A 23 6.551 4.222 14.899 1.00 54.33 H new ATOM 334 N SER A 24 9.261 5.304 8.509 1.00 70.45 N ATOM 335 CA SER A 24 10.419 6.047 8.040 1.00 65.45 C ATOM 336 C SER A 24 9.996 7.386 7.406 1.00 65.25 C ATOM 337 O SER A 24 10.500 8.442 7.795 1.00 12.30 O ATOM 338 CB SER A 24 11.211 5.142 7.084 1.00 74.11 C ATOM 339 OG SER A 24 12.595 5.398 7.190 1.00 1.20 O ATOM 0 H SER A 24 9.220 4.350 8.150 1.00 70.45 H new ATOM 0 HA SER A 24 11.069 6.317 8.872 1.00 65.45 H new ATOM 0 HB2 SER A 24 11.010 4.096 7.315 1.00 74.11 H new ATOM 0 HB3 SER A 24 10.882 5.311 6.059 1.00 74.11 H new ATOM 0 HG SER A 24 13.084 4.812 6.576 1.00 1.20 H new ATOM 344 N HIS A 25 9.009 7.376 6.501 1.00 63.44 N ATOM 345 CA HIS A 25 8.511 8.576 5.817 1.00 12.31 C ATOM 346 C HIS A 25 7.619 9.435 6.729 1.00 43.15 C ATOM 347 O HIS A 25 7.322 10.581 6.393 1.00 13.13 O ATOM 348 CB HIS A 25 7.768 8.180 4.532 1.00 70.22 C ATOM 349 CG HIS A 25 8.609 7.341 3.607 1.00 13.04 C ATOM 350 ND1 HIS A 25 8.751 5.993 3.725 1.00 1.20 N flip ATOM 351 CD2 HIS A 25 9.417 7.760 2.571 1.00 62.41 C flip ATOM 352 CE1 HIS A 25 9.656 5.572 2.753 1.00 63.23 C flip ATOM 353 NE2 HIS A 25 10.040 6.674 2.082 1.00 1.43 N flip ATOM 0 H HIS A 25 8.527 6.522 6.220 1.00 63.44 H new ATOM 0 HA HIS A 25 9.372 9.190 5.553 1.00 12.31 H new ATOM 0 HB2 HIS A 25 6.865 7.629 4.795 1.00 70.22 H new ATOM 0 HB3 HIS A 25 7.450 9.082 4.009 1.00 70.22 H new ATOM 0 HD1 HIS A 25 8.279 5.397 4.404 1.00 1.20 H new ATOM 0 HD2 HIS A 25 9.529 8.774 2.218 1.00 62.41 H new ATOM 0 HE1 HIS A 25 9.985 4.559 2.573 1.00 63.23 H new ATOM 360 N GLY A 26 7.197 8.893 7.876 1.00 1.21 N ATOM 361 CA GLY A 26 6.423 9.581 8.903 1.00 30.14 C ATOM 362 C GLY A 26 5.000 9.040 9.008 1.00 53.34 C ATOM 363 O GLY A 26 4.341 9.245 10.024 1.00 22.11 O ATOM 0 H GLY A 26 7.396 7.923 8.120 1.00 1.21 H new ATOM 0 HA2 GLY A 26 6.923 9.474 9.866 1.00 30.14 H new ATOM 0 HA3 GLY A 26 6.389 10.647 8.678 1.00 30.14 H new ATOM 367 N VAL A 27 4.532 8.290 8.012 1.00 61.15 N ATOM 368 CA VAL A 27 3.144 7.860 7.875 1.00 32.13 C ATOM 369 C VAL A 27 2.903 6.693 8.835 1.00 24.13 C ATOM 370 O VAL A 27 3.843 5.987 9.217 1.00 41.25 O ATOM 371 CB VAL A 27 2.883 7.453 6.403 1.00 21.21 C ATOM 372 CG1 VAL A 27 1.400 7.643 6.074 1.00 14.43 C ATOM 373 CG2 VAL A 27 3.746 8.194 5.363 1.00 10.31 C ATOM 0 H VAL A 27 5.128 7.955 7.255 1.00 61.15 H new ATOM 0 HA VAL A 27 2.455 8.666 8.127 1.00 32.13 H new ATOM 0 HB VAL A 27 3.173 6.405 6.330 1.00 21.21 H new ATOM 0 HG11 VAL A 27 1.217 7.356 5.038 1.00 14.43 H new ATOM 0 HG12 VAL A 27 0.798 7.019 6.735 1.00 14.43 H new ATOM 0 HG13 VAL A 27 1.127 8.689 6.215 1.00 14.43 H new ATOM 0 HG21 VAL A 27 3.492 7.843 4.363 1.00 10.31 H new ATOM 0 HG22 VAL A 27 3.557 9.265 5.430 1.00 10.31 H new ATOM 0 HG23 VAL A 27 4.800 7.999 5.560 1.00 10.31 H new ATOM 383 N GLN A 28 1.655 6.474 9.241 1.00 22.22 N ATOM 384 CA GLN A 28 1.236 5.262 9.938 1.00 61.15 C ATOM 385 C GLN A 28 0.542 4.353 8.923 1.00 50.12 C ATOM 386 O GLN A 28 -0.120 4.871 8.022 1.00 34.20 O ATOM 387 CB GLN A 28 0.295 5.626 11.105 1.00 65.15 C ATOM 388 CG GLN A 28 -1.165 5.970 10.739 1.00 33.00 C ATOM 389 CD GLN A 28 -1.378 7.305 10.028 1.00 51.44 C ATOM 390 OE1 GLN A 28 -1.639 8.324 10.661 1.00 63.44 O ATOM 391 NE2 GLN A 28 -1.306 7.319 8.710 1.00 64.24 N ATOM 0 H GLN A 28 0.898 7.141 9.093 1.00 22.22 H new ATOM 0 HA GLN A 28 2.094 4.741 10.363 1.00 61.15 H new ATOM 0 HB2 GLN A 28 0.282 4.790 11.805 1.00 65.15 H new ATOM 0 HB3 GLN A 28 0.723 6.478 11.634 1.00 65.15 H new ATOM 0 HG2 GLN A 28 -1.557 5.176 10.104 1.00 33.00 H new ATOM 0 HG3 GLN A 28 -1.758 5.969 11.653 1.00 33.00 H new ATOM 0 HE21 GLN A 28 -1.088 6.462 8.202 1.00 64.24 H new ATOM 0 HE22 GLN A 28 -1.469 8.187 8.200 1.00 64.24 H new ATOM 398 N ALA A 29 0.595 3.029 9.087 1.00 22.33 N ATOM 399 CA ALA A 29 -0.430 2.158 8.584 1.00 11.45 C ATOM 400 C ALA A 29 -1.663 2.285 9.456 1.00 64.11 C ATOM 401 O ALA A 29 -1.519 2.458 10.667 1.00 42.11 O ATOM 402 CB ALA A 29 0.009 0.697 8.487 1.00 22.31 C ATOM 0 H ALA A 29 1.352 2.548 9.572 1.00 22.33 H new ATOM 0 HA ALA A 29 -0.652 2.472 7.564 1.00 11.45 H new ATOM 0 HB1 ALA A 29 -0.813 0.095 8.100 1.00 22.31 H new ATOM 0 HB2 ALA A 29 0.864 0.618 7.816 1.00 22.31 H new ATOM 0 HB3 ALA A 29 0.290 0.335 9.476 1.00 22.31 H new ATOM 408 N ARG A 30 -2.851 2.131 8.871 1.00 65.14 N ATOM 409 CA ARG A 30 -4.088 1.953 9.625 1.00 70.03 C ATOM 410 C ARG A 30 -4.675 0.562 9.411 1.00 54.34 C ATOM 411 O ARG A 30 -5.374 0.069 10.290 1.00 71.22 O ATOM 412 CB ARG A 30 -5.051 3.088 9.278 1.00 2.22 C ATOM 413 CG ARG A 30 -6.270 3.071 10.210 1.00 52.20 C ATOM 414 CD ARG A 30 -7.483 2.439 9.517 1.00 25.11 C ATOM 415 NE ARG A 30 -8.616 2.302 10.437 1.00 10.33 N ATOM 416 CZ ARG A 30 -8.864 1.262 11.241 1.00 74.42 C ATOM 417 NH1 ARG A 30 -7.969 0.291 11.403 1.00 62.23 N ATOM 418 NH2 ARG A 30 -10.036 1.204 11.864 1.00 23.03 N ATOM 0 H ARG A 30 -2.981 2.126 7.859 1.00 65.14 H new ATOM 0 HA ARG A 30 -3.885 2.011 10.694 1.00 70.03 H new ATOM 0 HB2 ARG A 30 -4.537 4.046 9.361 1.00 2.22 H new ATOM 0 HB3 ARG A 30 -5.378 2.990 8.243 1.00 2.22 H new ATOM 0 HG2 ARG A 30 -6.032 2.513 11.115 1.00 52.20 H new ATOM 0 HG3 ARG A 30 -6.512 4.089 10.517 1.00 52.20 H new ATOM 0 HD2 ARG A 30 -7.777 3.052 8.665 1.00 25.11 H new ATOM 0 HD3 ARG A 30 -7.210 1.459 9.126 1.00 25.11 H new ATOM 0 HE ARG A 30 -9.280 3.075 10.467 1.00 10.33 H new ATOM 0 HH11 ARG A 30 -7.077 0.332 10.910 1.00 62.23 H new ATOM 0 HH12 ARG A 30 -8.175 -0.495 12.020 1.00 62.23 H new ATOM 0 HH21 ARG A 30 -10.725 1.943 11.724 1.00 23.03 H new ATOM 0 HH22 ARG A 30 -10.247 0.420 12.482 1.00 23.03 H new ATOM 429 N GLU A 31 -4.398 -0.069 8.277 1.00 32.04 N ATOM 430 CA GLU A 31 -4.615 -1.490 8.066 1.00 73.10 C ATOM 431 C GLU A 31 -3.435 -2.003 7.245 1.00 51.51 C ATOM 432 O GLU A 31 -2.815 -1.222 6.514 1.00 54.21 O ATOM 433 CB GLU A 31 -5.937 -1.710 7.323 1.00 31.11 C ATOM 434 CG GLU A 31 -6.483 -3.120 7.517 1.00 75.30 C ATOM 435 CD GLU A 31 -7.621 -3.421 6.543 1.00 22.23 C ATOM 436 OE1 GLU A 31 -8.727 -2.860 6.699 1.00 61.34 O ATOM 437 OE2 GLU A 31 -7.413 -4.257 5.626 1.00 20.34 O ATOM 0 H GLU A 31 -4.008 0.405 7.462 1.00 32.04 H new ATOM 0 HA GLU A 31 -4.679 -2.027 9.012 1.00 73.10 H new ATOM 0 HB2 GLU A 31 -6.673 -0.987 7.674 1.00 31.11 H new ATOM 0 HB3 GLU A 31 -5.789 -1.524 6.259 1.00 31.11 H new ATOM 0 HG2 GLU A 31 -5.681 -3.844 7.375 1.00 75.30 H new ATOM 0 HG3 GLU A 31 -6.839 -3.235 8.541 1.00 75.30 H new ATOM 442 N VAL A 32 -3.125 -3.296 7.319 1.00 34.42 N ATOM 443 CA VAL A 32 -2.161 -3.917 6.423 1.00 32.02 C ATOM 444 C VAL A 32 -2.690 -5.307 6.040 1.00 1.52 C ATOM 445 O VAL A 32 -3.552 -5.888 6.710 1.00 20.32 O ATOM 446 CB VAL A 32 -0.737 -3.947 7.044 1.00 0.45 C ATOM 447 CG1 VAL A 32 0.307 -3.995 5.920 1.00 51.54 C ATOM 448 CG2 VAL A 32 -0.356 -2.744 7.924 1.00 31.14 C ATOM 0 H VAL A 32 -3.534 -3.937 7.999 1.00 34.42 H new ATOM 0 HA VAL A 32 -2.054 -3.326 5.513 1.00 32.02 H new ATOM 0 HB VAL A 32 -0.750 -4.828 7.685 1.00 0.45 H new ATOM 0 HG11 VAL A 32 1.307 -4.016 6.353 1.00 51.54 H new ATOM 0 HG12 VAL A 32 0.153 -4.891 5.318 1.00 51.54 H new ATOM 0 HG13 VAL A 32 0.203 -3.112 5.289 1.00 51.54 H new ATOM 0 HG21 VAL A 32 0.658 -2.876 8.301 1.00 31.14 H new ATOM 0 HG22 VAL A 32 -0.407 -1.830 7.333 1.00 31.14 H new ATOM 0 HG23 VAL A 32 -1.049 -2.673 8.763 1.00 31.14 H new ATOM 458 N ARG A 33 -2.228 -5.810 4.897 1.00 14.51 N ATOM 459 CA ARG A 33 -2.543 -7.115 4.334 1.00 20.42 C ATOM 460 C ARG A 33 -1.404 -7.503 3.399 1.00 73.40 C ATOM 461 O ARG A 33 -1.465 -7.250 2.200 1.00 2.32 O ATOM 462 CB ARG A 33 -3.986 -7.197 3.764 1.00 13.33 C ATOM 463 CG ARG A 33 -4.647 -5.878 3.376 1.00 4.44 C ATOM 464 CD ARG A 33 -6.044 -6.038 2.770 1.00 73.34 C ATOM 465 NE ARG A 33 -6.652 -4.723 2.505 1.00 52.41 N ATOM 466 CZ ARG A 33 -7.684 -4.447 1.700 1.00 73.44 C ATOM 467 NH1 ARG A 33 -8.388 -5.421 1.138 1.00 75.14 N ATOM 468 NH2 ARG A 33 -7.994 -3.183 1.458 1.00 13.22 N ATOM 0 H ARG A 33 -1.585 -5.283 4.306 1.00 14.51 H new ATOM 0 HA ARG A 33 -2.589 -7.882 5.107 1.00 20.42 H new ATOM 0 HB2 ARG A 33 -3.968 -7.840 2.884 1.00 13.33 H new ATOM 0 HB3 ARG A 33 -4.617 -7.688 4.505 1.00 13.33 H new ATOM 0 HG2 ARG A 33 -4.716 -5.244 4.260 1.00 4.44 H new ATOM 0 HG3 ARG A 33 -4.009 -5.360 2.660 1.00 4.44 H new ATOM 0 HD2 ARG A 33 -5.980 -6.608 1.843 1.00 73.34 H new ATOM 0 HD3 ARG A 33 -6.678 -6.606 3.451 1.00 73.34 H new ATOM 0 HE ARG A 33 -6.237 -3.929 2.993 1.00 52.41 H new ATOM 0 HH11 ARG A 33 -8.145 -6.395 1.318 1.00 75.14 H new ATOM 0 HH12 ARG A 33 -9.172 -5.196 0.526 1.00 75.14 H new ATOM 0 HH21 ARG A 33 -7.448 -2.434 1.883 1.00 13.22 H new ATOM 0 HH22 ARG A 33 -8.779 -2.958 0.846 1.00 13.22 H new ATOM 479 N LEU A 34 -0.346 -8.066 3.987 1.00 62.10 N ATOM 480 CA LEU A 34 0.793 -8.727 3.378 1.00 72.03 C ATOM 481 C LEU A 34 0.989 -10.069 4.124 1.00 62.23 C ATOM 482 O LEU A 34 0.061 -10.654 4.691 1.00 43.34 O ATOM 483 CB LEU A 34 2.061 -7.857 3.474 1.00 73.03 C ATOM 484 CG LEU A 34 3.158 -8.136 2.409 1.00 51.50 C ATOM 485 CD1 LEU A 34 4.516 -8.321 3.074 1.00 1.31 C ATOM 486 CD2 LEU A 34 3.009 -9.304 1.405 1.00 55.10 C ATOM 0 H LEU A 34 -0.265 -8.066 5.004 1.00 62.10 H new ATOM 0 HA LEU A 34 0.612 -8.896 2.316 1.00 72.03 H new ATOM 0 HB2 LEU A 34 1.767 -6.810 3.399 1.00 73.03 H new ATOM 0 HB3 LEU A 34 2.499 -7.995 4.463 1.00 73.03 H new ATOM 0 HG LEU A 34 3.043 -7.239 1.800 1.00 51.50 H new ATOM 0 HD11 LEU A 34 5.271 -8.515 2.312 1.00 1.31 H new ATOM 0 HD12 LEU A 34 4.779 -7.417 3.623 1.00 1.31 H new ATOM 0 HD13 LEU A 34 4.472 -9.164 3.764 1.00 1.31 H new ATOM 0 HD21 LEU A 34 3.877 -9.331 0.747 1.00 55.10 H new ATOM 0 HD22 LEU A 34 2.937 -10.245 1.950 1.00 55.10 H new ATOM 0 HD23 LEU A 34 2.107 -9.160 0.810 1.00 55.10 H new ATOM 616 N ARG A 44 0.842 -12.250 -3.005 1.00 74.53 N ATOM 617 CA ARG A 44 1.014 -12.459 -4.445 1.00 52.43 C ATOM 618 C ARG A 44 2.303 -11.813 -4.972 1.00 41.21 C ATOM 619 O ARG A 44 2.402 -11.508 -6.160 1.00 34.43 O ATOM 620 CB ARG A 44 -0.255 -11.985 -5.189 1.00 63.30 C ATOM 621 CG ARG A 44 -1.356 -13.049 -5.291 1.00 52.40 C ATOM 622 CD ARG A 44 -2.455 -13.019 -4.225 1.00 44.34 C ATOM 623 NE ARG A 44 -3.480 -14.021 -4.565 1.00 40.31 N ATOM 624 CZ ARG A 44 -4.460 -13.870 -5.467 1.00 0.05 C ATOM 625 NH1 ARG A 44 -4.886 -12.661 -5.826 1.00 23.31 N ATOM 626 NH2 ARG A 44 -4.988 -14.957 -6.011 1.00 63.54 N ATOM 0 HA ARG A 44 1.135 -13.525 -4.639 1.00 52.43 H new ATOM 0 HB2 ARG A 44 -0.657 -11.110 -4.679 1.00 63.30 H new ATOM 0 HB3 ARG A 44 0.023 -11.668 -6.194 1.00 63.30 H new ATOM 0 HG2 ARG A 44 -1.830 -12.953 -6.268 1.00 52.40 H new ATOM 0 HG3 ARG A 44 -0.882 -14.030 -5.261 1.00 52.40 H new ATOM 0 HD2 ARG A 44 -2.033 -13.231 -3.243 1.00 44.34 H new ATOM 0 HD3 ARG A 44 -2.902 -12.026 -4.173 1.00 44.34 H new ATOM 0 HE ARG A 44 -3.440 -14.911 -4.069 1.00 40.31 H new ATOM 0 HH11 ARG A 44 -4.465 -11.829 -5.413 1.00 23.31 H new ATOM 0 HH12 ARG A 44 -5.633 -12.567 -6.514 1.00 23.31 H new ATOM 0 HH21 ARG A 44 -4.647 -15.880 -5.741 1.00 63.54 H new ATOM 0 HH22 ARG A 44 -5.735 -14.871 -6.700 1.00 63.54 H new ATOM 637 N GLY A 45 3.289 -11.537 -4.115 1.00 73.43 N ATOM 638 CA GLY A 45 4.359 -10.612 -4.471 1.00 40.32 C ATOM 639 C GLY A 45 3.828 -9.177 -4.521 1.00 43.01 C ATOM 640 O GLY A 45 4.484 -8.297 -5.075 1.00 72.20 O ATOM 0 H GLY A 45 3.366 -11.938 -3.180 1.00 73.43 H new ATOM 0 HA2 GLY A 45 5.167 -10.683 -3.743 1.00 40.32 H new ATOM 0 HA3 GLY A 45 4.778 -10.886 -5.439 1.00 40.32 H new ATOM 644 N PHE A 46 2.642 -8.939 -3.952 1.00 32.42 N ATOM 645 CA PHE A 46 2.069 -7.635 -3.696 1.00 20.21 C ATOM 646 C PHE A 46 1.028 -7.754 -2.580 1.00 15.21 C ATOM 647 O PHE A 46 0.527 -8.852 -2.295 1.00 53.33 O ATOM 648 CB PHE A 46 1.471 -7.036 -4.976 1.00 44.10 C ATOM 649 CG PHE A 46 0.342 -7.810 -5.615 1.00 71.30 C ATOM 650 CD1 PHE A 46 -0.984 -7.568 -5.217 1.00 73.50 C ATOM 651 CD2 PHE A 46 0.612 -8.742 -6.634 1.00 42.02 C ATOM 652 CE1 PHE A 46 -2.031 -8.288 -5.809 1.00 33.54 C ATOM 653 CE2 PHE A 46 -0.446 -9.418 -7.265 1.00 41.24 C ATOM 654 CZ PHE A 46 -1.768 -9.204 -6.842 1.00 20.35 C ATOM 0 H PHE A 46 2.033 -9.697 -3.646 1.00 32.42 H new ATOM 0 HA PHE A 46 2.852 -6.951 -3.368 1.00 20.21 H new ATOM 0 HB2 PHE A 46 1.111 -6.033 -4.748 1.00 44.10 H new ATOM 0 HB3 PHE A 46 2.270 -6.929 -5.709 1.00 44.10 H new ATOM 0 HD1 PHE A 46 -1.196 -6.830 -4.458 1.00 73.50 H new ATOM 0 HD2 PHE A 46 1.632 -8.938 -6.931 1.00 42.02 H new ATOM 0 HE1 PHE A 46 -3.045 -8.138 -5.469 1.00 33.54 H new ATOM 0 HE2 PHE A 46 -0.243 -10.102 -8.075 1.00 41.24 H new ATOM 0 HZ PHE A 46 -2.580 -9.742 -7.309 1.00 20.35 H new ATOM 663 N ALA A 47 0.728 -6.609 -1.964 1.00 22.34 N ATOM 664 CA ALA A 47 0.056 -6.419 -0.688 1.00 52.53 C ATOM 665 C ALA A 47 -0.788 -5.134 -0.717 1.00 1.13 C ATOM 666 O ALA A 47 -0.776 -4.409 -1.717 1.00 44.52 O ATOM 667 CB ALA A 47 1.163 -6.290 0.347 1.00 52.30 C ATOM 0 H ALA A 47 0.973 -5.714 -2.388 1.00 22.34 H new ATOM 0 HA ALA A 47 -0.616 -7.247 -0.462 1.00 52.53 H new ATOM 0 HB1 ALA A 47 0.723 -6.144 1.334 1.00 52.30 H new ATOM 0 HB2 ALA A 47 1.767 -7.198 0.349 1.00 52.30 H new ATOM 0 HB3 ALA A 47 1.793 -5.436 0.101 1.00 52.30 H new ATOM 673 N PHE A 48 -1.510 -4.839 0.364 1.00 22.25 N ATOM 674 CA PHE A 48 -2.559 -3.821 0.412 1.00 75.04 C ATOM 675 C PHE A 48 -2.479 -3.035 1.732 1.00 41.53 C ATOM 676 O PHE A 48 -3.258 -3.236 2.663 1.00 21.42 O ATOM 677 CB PHE A 48 -3.917 -4.528 0.221 1.00 40.24 C ATOM 678 CG PHE A 48 -4.445 -4.643 -1.191 1.00 60.22 C ATOM 679 CD1 PHE A 48 -3.862 -5.565 -2.075 1.00 74.14 C ATOM 680 CD2 PHE A 48 -5.511 -3.833 -1.630 1.00 2.42 C ATOM 681 CE1 PHE A 48 -4.300 -5.642 -3.409 1.00 40.34 C ATOM 682 CE2 PHE A 48 -5.951 -3.907 -2.963 1.00 62.44 C ATOM 683 CZ PHE A 48 -5.337 -4.803 -3.857 1.00 22.15 C ATOM 0 H PHE A 48 -1.377 -5.316 1.256 1.00 22.25 H new ATOM 0 HA PHE A 48 -2.433 -3.089 -0.386 1.00 75.04 H new ATOM 0 HB2 PHE A 48 -3.835 -5.534 0.634 1.00 40.24 H new ATOM 0 HB3 PHE A 48 -4.660 -3.998 0.817 1.00 40.24 H new ATOM 0 HD1 PHE A 48 -3.074 -6.218 -1.729 1.00 74.14 H new ATOM 0 HD2 PHE A 48 -5.991 -3.154 -0.941 1.00 2.42 H new ATOM 0 HE1 PHE A 48 -3.841 -6.344 -4.089 1.00 40.34 H new ATOM 0 HE2 PHE A 48 -6.760 -3.276 -3.301 1.00 62.44 H new ATOM 0 HZ PHE A 48 -5.661 -4.847 -4.886 1.00 22.15 H new ATOM 692 N VAL A 49 -1.549 -2.091 1.842 1.00 52.51 N ATOM 693 CA VAL A 49 -1.570 -1.154 2.979 1.00 3.32 C ATOM 694 C VAL A 49 -2.867 -0.331 2.881 1.00 20.11 C ATOM 695 O VAL A 49 -3.273 0.021 1.771 1.00 1.24 O ATOM 696 CB VAL A 49 -0.305 -0.257 3.013 1.00 23.02 C ATOM 697 CG1 VAL A 49 -0.256 0.551 4.321 1.00 52.34 C ATOM 698 CG2 VAL A 49 0.996 -1.064 2.932 1.00 31.24 C ATOM 0 H VAL A 49 -0.786 -1.949 1.180 1.00 52.51 H new ATOM 0 HA VAL A 49 -1.555 -1.705 3.919 1.00 3.32 H new ATOM 0 HB VAL A 49 -0.378 0.394 2.142 1.00 23.02 H new ATOM 0 HG11 VAL A 49 0.637 1.175 4.330 1.00 52.34 H new ATOM 0 HG12 VAL A 49 -1.141 1.183 4.392 1.00 52.34 H new ATOM 0 HG13 VAL A 49 -0.229 -0.132 5.170 1.00 52.34 H new ATOM 0 HG21 VAL A 49 1.848 -0.385 2.960 1.00 31.24 H new ATOM 0 HG22 VAL A 49 1.052 -1.751 3.777 1.00 31.24 H new ATOM 0 HG23 VAL A 49 1.015 -1.631 2.002 1.00 31.24 H new ATOM 708 N GLU A 50 -3.526 0.020 3.986 1.00 1.13 N ATOM 709 CA GLU A 50 -4.525 1.070 4.026 1.00 41.33 C ATOM 710 C GLU A 50 -4.010 2.216 4.890 1.00 20.14 C ATOM 711 O GLU A 50 -3.513 1.997 6.003 1.00 70.12 O ATOM 712 CB GLU A 50 -5.854 0.555 4.599 1.00 52.43 C ATOM 713 CG GLU A 50 -6.974 1.332 3.925 1.00 64.22 C ATOM 714 CD GLU A 50 -8.300 1.363 4.687 1.00 33.35 C ATOM 715 OE1 GLU A 50 -9.100 0.404 4.613 1.00 54.40 O ATOM 716 OE2 GLU A 50 -8.650 2.419 5.262 1.00 43.12 O ATOM 0 H GLU A 50 -3.373 -0.429 4.889 1.00 1.13 H new ATOM 0 HA GLU A 50 -4.705 1.414 3.008 1.00 41.33 H new ATOM 0 HB2 GLU A 50 -5.963 -0.514 4.413 1.00 52.43 H new ATOM 0 HB3 GLU A 50 -5.886 0.696 5.679 1.00 52.43 H new ATOM 0 HG2 GLU A 50 -6.640 2.358 3.769 1.00 64.22 H new ATOM 0 HG3 GLU A 50 -7.150 0.901 2.939 1.00 64.22 H new ATOM 721 N PHE A 51 -4.182 3.436 4.393 1.00 44.24 N ATOM 722 CA PHE A 51 -4.109 4.645 5.182 1.00 72.04 C ATOM 723 C PHE A 51 -5.524 5.093 5.509 1.00 42.20 C ATOM 724 O PHE A 51 -6.472 4.784 4.787 1.00 44.12 O ATOM 725 CB PHE A 51 -3.390 5.734 4.387 1.00 53.12 C ATOM 726 CG PHE A 51 -1.963 5.365 4.060 1.00 32.40 C ATOM 727 CD1 PHE A 51 -1.023 5.297 5.097 1.00 22.32 C ATOM 728 CD2 PHE A 51 -1.584 5.022 2.752 1.00 10.20 C ATOM 729 CE1 PHE A 51 0.282 4.842 4.844 1.00 74.14 C ATOM 730 CE2 PHE A 51 -0.268 4.597 2.493 1.00 34.41 C ATOM 731 CZ PHE A 51 0.659 4.488 3.540 1.00 72.24 C ATOM 0 H PHE A 51 -4.380 3.608 3.407 1.00 44.24 H new ATOM 0 HA PHE A 51 -3.556 4.460 6.103 1.00 72.04 H new ATOM 0 HB2 PHE A 51 -3.934 5.923 3.462 1.00 53.12 H new ATOM 0 HB3 PHE A 51 -3.400 6.663 4.958 1.00 53.12 H new ATOM 0 HD1 PHE A 51 -1.303 5.596 6.096 1.00 22.32 H new ATOM 0 HD2 PHE A 51 -2.301 5.084 1.947 1.00 10.20 H new ATOM 0 HE1 PHE A 51 0.994 4.765 5.652 1.00 74.14 H new ATOM 0 HE2 PHE A 51 0.030 4.354 1.484 1.00 34.41 H new ATOM 0 HZ PHE A 51 1.660 4.133 3.343 1.00 72.24 H new ATOM 740 N SER A 52 -5.647 5.881 6.572 1.00 24.13 N ATOM 741 CA SER A 52 -6.926 6.429 6.986 1.00 73.05 C ATOM 742 C SER A 52 -7.289 7.719 6.242 1.00 10.40 C ATOM 743 O SER A 52 -8.450 8.131 6.294 1.00 24.02 O ATOM 744 CB SER A 52 -6.867 6.679 8.494 1.00 64.22 C ATOM 745 OG SER A 52 -7.758 5.802 9.152 1.00 61.24 O ATOM 0 H SER A 52 -4.864 6.155 7.166 1.00 24.13 H new ATOM 0 HA SER A 52 -7.708 5.710 6.740 1.00 73.05 H new ATOM 0 HB2 SER A 52 -5.852 6.525 8.860 1.00 64.22 H new ATOM 0 HB3 SER A 52 -7.131 7.714 8.712 1.00 64.22 H new ATOM 0 HG SER A 52 -7.719 5.961 10.118 1.00 61.24 H new ATOM 750 N HIS A 53 -6.334 8.365 5.572 1.00 44.53 N ATOM 751 CA HIS A 53 -6.510 9.692 5.003 1.00 21.40 C ATOM 752 C HIS A 53 -6.085 9.635 3.543 1.00 52.55 C ATOM 753 O HIS A 53 -5.025 9.091 3.224 1.00 25.41 O ATOM 754 CB HIS A 53 -5.685 10.713 5.800 1.00 64.41 C ATOM 755 CG HIS A 53 -5.964 10.721 7.286 1.00 72.21 C ATOM 756 ND1 HIS A 53 -6.830 11.561 7.943 1.00 14.12 N ATOM 757 CD2 HIS A 53 -5.392 9.908 8.228 1.00 13.50 C ATOM 758 CE1 HIS A 53 -6.784 11.268 9.251 1.00 63.15 C ATOM 759 NE2 HIS A 53 -5.947 10.238 9.472 1.00 33.34 N ATOM 0 H HIS A 53 -5.407 7.972 5.410 1.00 44.53 H new ATOM 0 HA HIS A 53 -7.552 10.009 5.058 1.00 21.40 H new ATOM 0 HB2 HIS A 53 -4.626 10.508 5.643 1.00 64.41 H new ATOM 0 HB3 HIS A 53 -5.879 11.709 5.401 1.00 64.41 H new ATOM 0 HD2 HIS A 53 -4.646 9.148 8.045 1.00 13.50 H new ATOM 0 HE1 HIS A 53 -7.340 11.786 10.018 1.00 63.15 H new ATOM 0 HE2 HIS A 53 -5.755 9.787 10.367 1.00 33.34 H new ATOM 766 N LEU A 54 -6.890 10.212 2.649 1.00 5.30 N ATOM 767 CA LEU A 54 -6.627 10.175 1.210 1.00 13.42 C ATOM 768 C LEU A 54 -5.389 10.986 0.791 1.00 2.22 C ATOM 769 O LEU A 54 -4.992 10.921 -0.375 1.00 11.22 O ATOM 770 CB LEU A 54 -7.873 10.551 0.383 1.00 41.13 C ATOM 771 CG LEU A 54 -8.397 11.982 0.625 1.00 54.21 C ATOM 772 CD1 LEU A 54 -8.813 12.668 -0.675 1.00 72.05 C ATOM 773 CD2 LEU A 54 -9.615 11.964 1.559 1.00 2.14 C ATOM 0 H LEU A 54 -7.740 10.716 2.901 1.00 5.30 H new ATOM 0 HA LEU A 54 -6.388 9.136 0.982 1.00 13.42 H new ATOM 0 HB2 LEU A 54 -7.638 10.438 -0.675 1.00 41.13 H new ATOM 0 HB3 LEU A 54 -8.670 9.843 0.609 1.00 41.13 H new ATOM 0 HG LEU A 54 -7.575 12.537 1.077 1.00 54.21 H new ATOM 0 HD11 LEU A 54 -9.175 13.673 -0.457 1.00 72.05 H new ATOM 0 HD12 LEU A 54 -7.955 12.729 -1.345 1.00 72.05 H new ATOM 0 HD13 LEU A 54 -9.606 12.092 -1.153 1.00 72.05 H new ATOM 0 HD21 LEU A 54 -9.968 12.983 1.716 1.00 2.14 H new ATOM 0 HD22 LEU A 54 -10.410 11.370 1.109 1.00 2.14 H new ATOM 0 HD23 LEU A 54 -9.333 11.526 2.517 1.00 2.14 H new ATOM 784 N GLN A 55 -4.761 11.728 1.710 1.00 34.12 N ATOM 785 CA GLN A 55 -3.500 12.430 1.483 1.00 34.00 C ATOM 786 C GLN A 55 -2.278 11.680 2.026 1.00 64.21 C ATOM 787 O GLN A 55 -1.144 12.005 1.669 1.00 74.12 O ATOM 788 CB GLN A 55 -3.593 13.826 2.105 1.00 72.12 C ATOM 789 CG GLN A 55 -3.552 13.827 3.641 1.00 4.53 C ATOM 790 CD GLN A 55 -2.219 14.337 4.178 1.00 13.12 C ATOM 791 OE1 GLN A 55 -1.873 15.497 3.954 1.00 31.04 O ATOM 792 NE2 GLN A 55 -1.464 13.524 4.892 1.00 44.33 N ATOM 0 H GLN A 55 -5.127 11.858 2.653 1.00 34.12 H new ATOM 0 HA GLN A 55 -3.351 12.498 0.405 1.00 34.00 H new ATOM 0 HB2 GLN A 55 -2.772 14.436 1.729 1.00 72.12 H new ATOM 0 HB3 GLN A 55 -4.518 14.299 1.776 1.00 72.12 H new ATOM 0 HG2 GLN A 55 -4.360 14.451 4.025 1.00 4.53 H new ATOM 0 HG3 GLN A 55 -3.728 12.816 4.009 1.00 4.53 H new ATOM 0 HE21 GLN A 55 -1.769 12.566 5.066 1.00 44.33 H new ATOM 0 HE22 GLN A 55 -0.576 13.853 5.270 1.00 44.33 H new ATOM 799 N ASP A 56 -2.482 10.694 2.901 1.00 34.41 N ATOM 800 CA ASP A 56 -1.392 9.948 3.538 1.00 12.40 C ATOM 801 C ASP A 56 -0.770 9.006 2.515 1.00 53.24 C ATOM 802 O ASP A 56 0.441 8.794 2.517 1.00 63.25 O ATOM 803 CB ASP A 56 -1.910 9.102 4.710 1.00 14.43 C ATOM 804 CG ASP A 56 -2.177 9.862 6.008 1.00 10.31 C ATOM 805 OD1 ASP A 56 -2.232 11.112 5.994 1.00 21.14 O ATOM 806 OD2 ASP A 56 -2.437 9.162 7.013 1.00 74.11 O ATOM 0 H ASP A 56 -3.411 10.388 3.190 1.00 34.41 H new ATOM 0 HA ASP A 56 -0.661 10.666 3.910 1.00 12.40 H new ATOM 0 HB2 ASP A 56 -2.833 8.612 4.401 1.00 14.43 H new ATOM 0 HB3 ASP A 56 -1.185 8.314 4.914 1.00 14.43 H new ATOM 810 N ALA A 57 -1.605 8.474 1.612 1.00 21.42 N ATOM 811 CA ALA A 57 -1.171 7.635 0.510 1.00 12.33 C ATOM 812 C ALA A 57 -0.168 8.409 -0.343 1.00 73.32 C ATOM 813 O ALA A 57 0.941 7.931 -0.574 1.00 51.55 O ATOM 814 CB ALA A 57 -2.389 7.180 -0.291 1.00 24.02 C ATOM 0 H ALA A 57 -2.614 8.623 1.636 1.00 21.42 H new ATOM 0 HA ALA A 57 -0.670 6.740 0.878 1.00 12.33 H new ATOM 0 HB1 ALA A 57 -2.065 6.550 -1.119 1.00 24.02 H new ATOM 0 HB2 ALA A 57 -3.059 6.613 0.356 1.00 24.02 H new ATOM 0 HB3 ALA A 57 -2.914 8.052 -0.682 1.00 24.02 H new ATOM 820 N THR A 58 -0.532 9.626 -0.755 1.00 34.24 N ATOM 821 CA THR A 58 0.357 10.536 -1.462 1.00 45.32 C ATOM 822 C THR A 58 1.635 10.787 -0.669 1.00 62.34 C ATOM 823 O THR A 58 2.719 10.822 -1.247 1.00 25.34 O ATOM 824 CB THR A 58 -0.327 11.889 -1.739 1.00 43.13 C ATOM 825 OG1 THR A 58 -1.687 11.908 -1.352 1.00 13.51 O ATOM 826 CG2 THR A 58 -0.264 12.191 -3.226 1.00 45.45 C ATOM 0 H THR A 58 -1.466 10.007 -0.602 1.00 34.24 H new ATOM 0 HA THR A 58 0.605 10.057 -2.409 1.00 45.32 H new ATOM 0 HB THR A 58 0.207 12.635 -1.150 1.00 43.13 H new ATOM 0 HG1 THR A 58 -2.187 11.253 -1.883 1.00 13.51 H new ATOM 0 HG21 THR A 58 -0.747 13.148 -3.424 1.00 45.45 H new ATOM 0 HG22 THR A 58 0.778 12.238 -3.544 1.00 45.45 H new ATOM 0 HG23 THR A 58 -0.777 11.404 -3.779 1.00 45.45 H new ATOM 834 N ARG A 59 1.520 10.955 0.651 1.00 1.43 N ATOM 835 CA ARG A 59 2.658 11.288 1.494 1.00 11.53 C ATOM 836 C ARG A 59 3.685 10.170 1.504 1.00 23.24 C ATOM 837 O ARG A 59 4.873 10.445 1.641 1.00 10.34 O ATOM 838 CB ARG A 59 2.177 11.625 2.916 1.00 51.11 C ATOM 839 CG ARG A 59 3.135 12.611 3.593 1.00 13.32 C ATOM 840 CD ARG A 59 2.423 13.372 4.722 1.00 63.42 C ATOM 841 NE ARG A 59 3.212 14.539 5.130 1.00 21.24 N ATOM 842 CZ ARG A 59 3.361 15.672 4.431 1.00 10.11 C ATOM 843 NH1 ARG A 59 2.632 15.909 3.343 1.00 73.45 N ATOM 844 NH2 ARG A 59 4.267 16.561 4.813 1.00 64.15 N ATOM 0 H ARG A 59 0.639 10.864 1.157 1.00 1.43 H new ATOM 0 HA ARG A 59 3.151 12.167 1.080 1.00 11.53 H new ATOM 0 HB2 ARG A 59 1.176 12.054 2.874 1.00 51.11 H new ATOM 0 HB3 ARG A 59 2.109 10.712 3.508 1.00 51.11 H new ATOM 0 HG2 ARG A 59 3.994 12.073 3.995 1.00 13.32 H new ATOM 0 HG3 ARG A 59 3.518 13.318 2.857 1.00 13.32 H new ATOM 0 HD2 ARG A 59 1.436 13.691 4.387 1.00 63.42 H new ATOM 0 HD3 ARG A 59 2.272 12.711 5.575 1.00 63.42 H new ATOM 0 HE ARG A 59 3.691 14.483 6.029 1.00 21.24 H new ATOM 0 HH11 ARG A 59 1.946 15.222 3.029 1.00 73.45 H new ATOM 0 HH12 ARG A 59 2.759 16.777 2.823 1.00 73.45 H new ATOM 0 HH21 ARG A 59 4.845 16.380 5.634 1.00 64.15 H new ATOM 0 HH22 ARG A 59 4.386 17.426 4.286 1.00 64.15 H new ATOM 855 N TRP A 60 3.248 8.920 1.346 1.00 5.30 N ATOM 856 CA TRP A 60 4.163 7.815 1.146 1.00 21.00 C ATOM 857 C TRP A 60 4.690 7.813 -0.292 1.00 23.21 C ATOM 858 O TRP A 60 5.898 7.734 -0.505 1.00 51.15 O ATOM 859 CB TRP A 60 3.476 6.496 1.512 1.00 5.12 C ATOM 860 CG TRP A 60 4.402 5.347 1.781 1.00 52.23 C ATOM 861 CD1 TRP A 60 5.634 5.427 2.336 1.00 71.03 C ATOM 862 CD2 TRP A 60 4.154 3.924 1.590 1.00 53.52 C ATOM 863 NE1 TRP A 60 6.170 4.166 2.477 1.00 33.42 N ATOM 864 CE2 TRP A 60 5.289 3.196 2.053 1.00 34.40 C ATOM 865 CE3 TRP A 60 3.052 3.179 1.126 1.00 55.25 C ATOM 866 CZ2 TRP A 60 5.307 1.795 2.095 1.00 72.44 C ATOM 867 CZ3 TRP A 60 3.053 1.775 1.169 1.00 71.34 C ATOM 868 CH2 TRP A 60 4.171 1.086 1.672 1.00 53.14 C ATOM 0 H TRP A 60 2.263 8.656 1.354 1.00 5.30 H new ATOM 0 HA TRP A 60 5.024 7.932 1.804 1.00 21.00 H new ATOM 0 HB2 TRP A 60 2.859 6.659 2.396 1.00 5.12 H new ATOM 0 HB3 TRP A 60 2.804 6.218 0.701 1.00 5.12 H new ATOM 0 HD1 TRP A 60 6.125 6.345 2.626 1.00 71.03 H new ATOM 0 HE1 TRP A 60 7.101 3.975 2.848 1.00 33.42 H new ATOM 0 HE3 TRP A 60 2.191 3.697 0.730 1.00 55.25 H new ATOM 0 HZ2 TRP A 60 6.182 1.269 2.447 1.00 72.44 H new ATOM 0 HZ3 TRP A 60 2.194 1.224 0.815 1.00 71.34 H new ATOM 0 HH2 TRP A 60 4.156 0.008 1.733 1.00 53.14 H new ATOM 878 N MET A 61 3.798 7.884 -1.283 1.00 42.15 N ATOM 879 CA MET A 61 4.105 7.713 -2.697 1.00 2.23 C ATOM 880 C MET A 61 5.087 8.767 -3.199 1.00 10.20 C ATOM 881 O MET A 61 6.149 8.403 -3.702 1.00 24.42 O ATOM 882 CB MET A 61 2.800 7.767 -3.495 1.00 71.34 C ATOM 883 CG MET A 61 1.834 6.624 -3.151 1.00 4.33 C ATOM 884 SD MET A 61 1.593 5.261 -4.326 1.00 13.30 S ATOM 885 CE MET A 61 1.644 6.086 -5.935 1.00 61.44 C ATOM 0 H MET A 61 2.809 8.069 -1.113 1.00 42.15 H new ATOM 0 HA MET A 61 4.587 6.745 -2.835 1.00 2.23 H new ATOM 0 HB2 MET A 61 2.306 8.720 -3.308 1.00 71.34 H new ATOM 0 HB3 MET A 61 3.031 7.731 -4.560 1.00 71.34 H new ATOM 0 HG2 MET A 61 2.169 6.187 -2.211 1.00 4.33 H new ATOM 0 HG3 MET A 61 0.857 7.069 -2.965 1.00 4.33 H new ATOM 0 HE1 MET A 61 0.925 5.617 -6.607 1.00 61.44 H new ATOM 0 HE2 MET A 61 1.393 7.139 -5.812 1.00 61.44 H new ATOM 0 HE3 MET A 61 2.645 5.999 -6.357 1.00 61.44 H new ATOM 893 N GLU A 62 4.752 10.056 -3.074 1.00 31.44 N ATOM 894 CA GLU A 62 5.584 11.151 -3.570 1.00 54.13 C ATOM 895 C GLU A 62 6.946 11.122 -2.887 1.00 44.41 C ATOM 896 O GLU A 62 7.968 11.355 -3.527 1.00 65.31 O ATOM 897 CB GLU A 62 4.934 12.514 -3.284 1.00 41.23 C ATOM 898 CG GLU A 62 3.730 12.846 -4.172 1.00 51.43 C ATOM 899 CD GLU A 62 3.799 14.304 -4.638 1.00 33.14 C ATOM 900 OE1 GLU A 62 4.644 14.617 -5.502 1.00 10.04 O ATOM 901 OE2 GLU A 62 3.077 15.171 -4.086 1.00 34.42 O ATOM 0 H GLU A 62 3.892 10.367 -2.623 1.00 31.44 H new ATOM 0 HA GLU A 62 5.693 11.020 -4.647 1.00 54.13 H new ATOM 0 HB2 GLU A 62 4.618 12.539 -2.241 1.00 41.23 H new ATOM 0 HB3 GLU A 62 5.686 13.293 -3.408 1.00 41.23 H new ATOM 0 HG2 GLU A 62 3.712 12.181 -5.036 1.00 51.43 H new ATOM 0 HG3 GLU A 62 2.805 12.677 -3.621 1.00 51.43 H new ATOM 906 N ALA A 63 6.955 10.812 -1.589 1.00 10.40 N ATOM 907 CA ALA A 63 8.175 10.777 -0.793 1.00 43.22 C ATOM 908 C ALA A 63 9.085 9.625 -1.200 1.00 73.15 C ATOM 909 O ALA A 63 10.296 9.709 -0.986 1.00 52.31 O ATOM 910 CB ALA A 63 7.828 10.695 0.694 1.00 63.45 C ATOM 0 H ALA A 63 6.113 10.578 -1.063 1.00 10.40 H new ATOM 0 HA ALA A 63 8.724 11.700 -0.980 1.00 43.22 H new ATOM 0 HB1 ALA A 63 8.746 10.669 1.281 1.00 63.45 H new ATOM 0 HB2 ALA A 63 7.239 11.567 0.979 1.00 63.45 H new ATOM 0 HB3 ALA A 63 7.251 9.790 0.884 1.00 63.45 H new ATOM 916 N ASN A 64 8.523 8.561 -1.773 1.00 53.04 N ATOM 917 CA ASN A 64 9.298 7.485 -2.369 1.00 71.42 C ATOM 918 C ASN A 64 9.571 7.729 -3.842 1.00 2.42 C ATOM 919 O ASN A 64 10.369 6.999 -4.421 1.00 15.13 O ATOM 920 CB ASN A 64 8.579 6.141 -2.209 1.00 34.41 C ATOM 921 CG ASN A 64 8.833 5.579 -0.830 1.00 63.34 C ATOM 922 OD1 ASN A 64 7.948 5.832 0.113 1.00 12.10 O flip ATOM 923 ND2 ASN A 64 9.849 4.940 -0.591 1.00 23.50 N flip ATOM 0 H ASN A 64 7.514 8.425 -1.835 1.00 53.04 H new ATOM 0 HA ASN A 64 10.251 7.457 -1.840 1.00 71.42 H new ATOM 0 HB2 ASN A 64 7.508 6.271 -2.366 1.00 34.41 H new ATOM 0 HB3 ASN A 64 8.929 5.440 -2.966 1.00 34.41 H new ATOM 0 HD21 ASN A 64 10.522 4.755 -1.335 1.00 23.50 H new ATOM 0 HD22 ASN A 64 10.023 4.593 0.352 1.00 23.50 H new ATOM 929 N GLN A 65 8.941 8.735 -4.457 1.00 20.14 N ATOM 930 CA GLN A 65 9.039 9.025 -5.885 1.00 31.53 C ATOM 931 C GLN A 65 8.470 7.844 -6.684 1.00 61.33 C ATOM 932 O GLN A 65 8.871 7.568 -7.816 1.00 72.12 O ATOM 933 CB GLN A 65 10.475 9.449 -6.247 1.00 72.14 C ATOM 934 CG GLN A 65 10.961 10.603 -5.350 1.00 41.45 C ATOM 935 CD GLN A 65 12.467 10.775 -5.399 1.00 25.13 C ATOM 936 OE1 GLN A 65 13.004 11.489 -6.244 1.00 4.34 O ATOM 937 NE2 GLN A 65 13.188 10.160 -4.479 1.00 13.10 N ATOM 0 H GLN A 65 8.333 9.386 -3.959 1.00 20.14 H new ATOM 0 HA GLN A 65 8.426 9.883 -6.161 1.00 31.53 H new ATOM 0 HB2 GLN A 65 11.146 8.596 -6.141 1.00 72.14 H new ATOM 0 HB3 GLN A 65 10.513 9.757 -7.292 1.00 72.14 H new ATOM 0 HG2 GLN A 65 10.481 11.530 -5.663 1.00 41.45 H new ATOM 0 HG3 GLN A 65 10.652 10.416 -4.322 1.00 41.45 H new ATOM 0 HE21 GLN A 65 12.731 9.570 -3.783 1.00 13.10 H new ATOM 0 HE22 GLN A 65 14.201 10.275 -4.464 1.00 13.10 H new ATOM 944 N HIS A 66 7.490 7.173 -6.065 1.00 4.00 N ATOM 945 CA HIS A 66 6.726 6.048 -6.582 1.00 11.14 C ATOM 946 C HIS A 66 7.538 4.746 -6.700 1.00 32.31 C ATOM 947 O HIS A 66 7.077 3.802 -7.354 1.00 72.41 O ATOM 948 CB HIS A 66 5.979 6.432 -7.871 1.00 55.35 C ATOM 949 CG HIS A 66 5.315 7.795 -7.853 1.00 60.12 C ATOM 950 ND1 HIS A 66 5.249 8.674 -8.908 1.00 12.41 N ATOM 951 CD2 HIS A 66 4.754 8.420 -6.775 1.00 41.12 C ATOM 952 CE1 HIS A 66 4.658 9.802 -8.475 1.00 74.12 C ATOM 953 NE2 HIS A 66 4.315 9.683 -7.179 1.00 52.21 N ATOM 0 H HIS A 66 7.195 7.427 -5.122 1.00 4.00 H new ATOM 0 HA HIS A 66 5.968 5.812 -5.835 1.00 11.14 H new ATOM 0 HB2 HIS A 66 6.683 6.400 -8.703 1.00 55.35 H new ATOM 0 HB3 HIS A 66 5.217 5.678 -8.069 1.00 55.35 H new ATOM 0 HD2 HIS A 66 4.665 8.008 -5.781 1.00 41.12 H new ATOM 0 HE1 HIS A 66 4.483 10.679 -9.081 1.00 74.12 H new ATOM 0 HE2 HIS A 66 3.832 10.376 -6.607 1.00 52.21 H new ATOM 960 N SER A 67 8.699 4.644 -6.043 1.00 43.13 N ATOM 961 CA SER A 67 9.496 3.430 -6.055 1.00 2.13 C ATOM 962 C SER A 67 10.149 3.155 -4.712 1.00 3.24 C ATOM 963 O SER A 67 10.877 3.975 -4.150 1.00 75.12 O ATOM 964 CB SER A 67 10.495 3.480 -7.220 1.00 40.04 C ATOM 965 OG SER A 67 11.074 4.763 -7.366 1.00 60.15 O ATOM 0 H SER A 67 9.104 5.402 -5.493 1.00 43.13 H new ATOM 0 HA SER A 67 8.837 2.578 -6.221 1.00 2.13 H new ATOM 0 HB2 SER A 67 11.282 2.744 -7.055 1.00 40.04 H new ATOM 0 HB3 SER A 67 9.988 3.203 -8.145 1.00 40.04 H new ATOM 0 HG SER A 67 11.705 4.754 -8.116 1.00 60.15 H new ATOM 970 N LEU A 68 9.855 1.966 -4.186 1.00 64.25 N ATOM 971 CA LEU A 68 10.342 1.497 -2.912 1.00 24.14 C ATOM 972 C LEU A 68 11.466 0.498 -3.075 1.00 61.44 C ATOM 973 O LEU A 68 11.777 0.033 -4.180 1.00 3.30 O ATOM 974 CB LEU A 68 9.205 0.850 -2.100 1.00 73.12 C ATOM 975 CG LEU A 68 8.892 1.680 -0.858 1.00 35.11 C ATOM 976 CD1 LEU A 68 7.670 2.529 -1.079 1.00 4.04 C ATOM 977 CD2 LEU A 68 8.643 0.845 0.392 1.00 12.31 C ATOM 0 H LEU A 68 9.253 1.291 -4.658 1.00 64.25 H new ATOM 0 HA LEU A 68 10.725 2.367 -2.378 1.00 24.14 H new ATOM 0 HB2 LEU A 68 8.313 0.762 -2.720 1.00 73.12 H new ATOM 0 HB3 LEU A 68 9.490 -0.160 -1.806 1.00 73.12 H new ATOM 0 HG LEU A 68 9.782 2.289 -0.696 1.00 35.11 H new ATOM 0 HD11 LEU A 68 7.465 3.112 -0.181 1.00 4.04 H new ATOM 0 HD12 LEU A 68 7.842 3.203 -1.918 1.00 4.04 H new ATOM 0 HD13 LEU A 68 6.816 1.888 -1.298 1.00 4.04 H new ATOM 0 HD21 LEU A 68 8.427 1.504 1.233 1.00 12.31 H new ATOM 0 HD22 LEU A 68 7.794 0.182 0.224 1.00 12.31 H new ATOM 0 HD23 LEU A 68 9.529 0.251 0.615 1.00 12.31 H new ATOM 988 N ASN A 69 12.029 0.148 -1.921 1.00 2.44 N ATOM 989 CA ASN A 69 13.255 -0.635 -1.862 1.00 33.14 C ATOM 990 C ASN A 69 13.320 -1.514 -0.620 1.00 55.34 C ATOM 991 O ASN A 69 14.014 -1.194 0.340 1.00 20.11 O ATOM 992 CB ASN A 69 14.440 0.326 -1.931 1.00 35.54 C ATOM 993 CG ASN A 69 15.792 -0.342 -2.153 1.00 51.02 C ATOM 994 OD1 ASN A 69 16.817 0.206 -1.755 1.00 23.24 O ATOM 995 ND2 ASN A 69 15.863 -1.460 -2.865 1.00 32.31 N ATOM 0 H ASN A 69 11.649 0.398 -1.008 1.00 2.44 H new ATOM 0 HA ASN A 69 13.282 -1.320 -2.709 1.00 33.14 H new ATOM 0 HB2 ASN A 69 14.266 1.038 -2.737 1.00 35.54 H new ATOM 0 HB3 ASN A 69 14.481 0.898 -1.004 1.00 35.54 H new ATOM 0 HD21 ASN A 69 16.772 -1.868 -3.084 1.00 32.31 H new ATOM 0 HD22 ASN A 69 15.009 -1.911 -3.193 1.00 32.31 H new ATOM 1001 N ILE A 70 12.603 -2.632 -0.638 1.00 15.01 N ATOM 1002 CA ILE A 70 12.532 -3.542 0.500 1.00 23.54 C ATOM 1003 C ILE A 70 13.468 -4.700 0.190 1.00 73.14 C ATOM 1004 O ILE A 70 13.414 -5.241 -0.916 1.00 13.42 O ATOM 1005 CB ILE A 70 11.072 -3.990 0.703 1.00 21.25 C ATOM 1006 CG1 ILE A 70 10.181 -2.818 1.156 1.00 35.13 C ATOM 1007 CG2 ILE A 70 10.922 -5.157 1.685 1.00 35.15 C ATOM 1008 CD1 ILE A 70 9.067 -2.527 0.153 1.00 43.05 C ATOM 0 H ILE A 70 12.054 -2.934 -1.443 1.00 15.01 H new ATOM 0 HA ILE A 70 12.843 -3.073 1.433 1.00 23.54 H new ATOM 0 HB ILE A 70 10.742 -4.343 -0.274 1.00 21.25 H new ATOM 0 HG12 ILE A 70 9.743 -3.049 2.127 1.00 35.13 H new ATOM 0 HG13 ILE A 70 10.794 -1.926 1.287 1.00 35.13 H new ATOM 0 HG21 ILE A 70 9.868 -5.420 1.780 1.00 35.15 H new ATOM 0 HG22 ILE A 70 11.479 -6.018 1.315 1.00 35.15 H new ATOM 0 HG23 ILE A 70 11.312 -4.865 2.660 1.00 35.15 H new ATOM 0 HD11 ILE A 70 8.463 -1.694 0.512 1.00 43.05 H new ATOM 0 HD12 ILE A 70 9.504 -2.269 -0.812 1.00 43.05 H new ATOM 0 HD13 ILE A 70 8.438 -3.410 0.042 1.00 43.05 H new ATOM 1019 N LEU A 71 14.329 -5.084 1.136 1.00 75.43 N ATOM 1020 CA LEU A 71 15.265 -6.203 1.020 1.00 12.44 C ATOM 1021 C LEU A 71 16.210 -6.058 -0.182 1.00 60.11 C ATOM 1022 O LEU A 71 16.902 -7.015 -0.544 1.00 21.34 O ATOM 1023 CB LEU A 71 14.510 -7.552 1.047 1.00 14.43 C ATOM 1024 CG LEU A 71 14.264 -8.082 2.468 1.00 34.43 C ATOM 1025 CD1 LEU A 71 13.249 -7.283 3.283 1.00 12.44 C ATOM 1026 CD2 LEU A 71 13.771 -9.532 2.376 1.00 12.35 C ATOM 0 H LEU A 71 14.395 -4.607 2.035 1.00 75.43 H new ATOM 0 HA LEU A 71 15.917 -6.186 1.893 1.00 12.44 H new ATOM 0 HB2 LEU A 71 13.552 -7.435 0.540 1.00 14.43 H new ATOM 0 HB3 LEU A 71 15.081 -8.291 0.485 1.00 14.43 H new ATOM 0 HG LEU A 71 15.217 -7.993 2.989 1.00 34.43 H new ATOM 0 HD11 LEU A 71 13.141 -7.731 4.271 1.00 12.44 H new ATOM 0 HD12 LEU A 71 13.595 -6.255 3.387 1.00 12.44 H new ATOM 0 HD13 LEU A 71 12.285 -7.292 2.774 1.00 12.44 H new ATOM 0 HD21 LEU A 71 13.593 -9.920 3.379 1.00 12.35 H new ATOM 0 HD22 LEU A 71 12.844 -9.565 1.804 1.00 12.35 H new ATOM 0 HD23 LEU A 71 14.526 -10.142 1.880 1.00 12.35 H new ATOM 1037 N GLY A 72 16.291 -4.864 -0.773 1.00 13.01 N ATOM 1038 CA GLY A 72 17.099 -4.579 -1.941 1.00 54.25 C ATOM 1039 C GLY A 72 16.382 -4.899 -3.257 1.00 34.22 C ATOM 1040 O GLY A 72 16.938 -4.665 -4.333 1.00 43.33 O ATOM 0 H GLY A 72 15.777 -4.050 -0.435 1.00 13.01 H new ATOM 0 HA2 GLY A 72 17.380 -3.526 -1.933 1.00 54.25 H new ATOM 0 HA3 GLY A 72 18.022 -5.156 -1.887 1.00 54.25 H new ATOM 1044 N GLN A 73 15.144 -5.404 -3.208 1.00 72.25 N ATOM 1045 CA GLN A 73 14.290 -5.487 -4.379 1.00 44.41 C ATOM 1046 C GLN A 73 13.857 -4.076 -4.749 1.00 4.44 C ATOM 1047 O GLN A 73 13.789 -3.179 -3.904 1.00 43.05 O ATOM 1048 CB GLN A 73 13.080 -6.393 -4.096 1.00 63.24 C ATOM 1049 CG GLN A 73 13.345 -7.855 -4.466 1.00 51.42 C ATOM 1050 CD GLN A 73 14.600 -8.419 -3.816 1.00 13.24 C ATOM 1051 OE1 GLN A 73 14.536 -8.712 -2.531 1.00 4.13 O flip ATOM 1052 NE2 GLN A 73 15.639 -8.549 -4.467 1.00 62.31 N flip ATOM 0 H GLN A 73 14.715 -5.763 -2.355 1.00 72.25 H new ATOM 0 HA GLN A 73 14.831 -5.929 -5.216 1.00 44.41 H new ATOM 0 HB2 GLN A 73 12.822 -6.330 -3.039 1.00 63.24 H new ATOM 0 HB3 GLN A 73 12.219 -6.030 -4.657 1.00 63.24 H new ATOM 0 HG2 GLN A 73 12.487 -8.459 -4.170 1.00 51.42 H new ATOM 0 HG3 GLN A 73 13.435 -7.938 -5.549 1.00 51.42 H new ATOM 0 HE21 GLN A 73 15.652 -8.313 -5.459 1.00 62.31 H new ATOM 0 HE22 GLN A 73 16.485 -8.893 -4.013 1.00 62.31 H new ATOM 1059 N LYS A 74 13.554 -3.872 -6.025 1.00 15.40 N ATOM 1060 CA LYS A 74 12.884 -2.674 -6.497 1.00 1.30 C ATOM 1061 C LYS A 74 11.392 -2.952 -6.401 1.00 21.33 C ATOM 1062 O LYS A 74 10.958 -4.055 -6.735 1.00 4.14 O ATOM 1063 CB LYS A 74 13.319 -2.432 -7.952 1.00 0.41 C ATOM 1064 CG LYS A 74 12.941 -1.047 -8.498 1.00 44.03 C ATOM 1065 CD LYS A 74 13.782 0.117 -7.944 1.00 60.33 C ATOM 1066 CE LYS A 74 15.231 0.130 -8.462 1.00 72.35 C ATOM 1067 NZ LYS A 74 16.169 -0.687 -7.657 1.00 11.32 N ATOM 0 H LYS A 74 13.769 -4.541 -6.765 1.00 15.40 H new ATOM 0 HA LYS A 74 13.131 -1.786 -5.915 1.00 1.30 H new ATOM 0 HB2 LYS A 74 14.400 -2.556 -8.022 1.00 0.41 H new ATOM 0 HB3 LYS A 74 12.869 -3.196 -8.586 1.00 0.41 H new ATOM 0 HG2 LYS A 74 13.037 -1.061 -9.584 1.00 44.03 H new ATOM 0 HG3 LYS A 74 11.891 -0.857 -8.273 1.00 44.03 H new ATOM 0 HD2 LYS A 74 13.302 1.059 -8.208 1.00 60.33 H new ATOM 0 HD3 LYS A 74 13.794 0.060 -6.856 1.00 60.33 H new ATOM 0 HE2 LYS A 74 15.241 -0.232 -9.490 1.00 72.35 H new ATOM 0 HE3 LYS A 74 15.589 1.159 -8.483 1.00 72.35 H new ATOM 0 HZ1 LYS A 74 17.070 -0.178 -7.551 1.00 11.32 H new ATOM 0 HZ2 LYS A 74 15.758 -0.863 -6.718 1.00 11.32 H new ATOM 0 HZ3 LYS A 74 16.338 -1.595 -8.136 1.00 11.32 H new ATOM 1077 N VAL A 75 10.614 -1.968 -5.974 1.00 43.43 N ATOM 1078 CA VAL A 75 9.179 -2.086 -5.766 1.00 15.20 C ATOM 1079 C VAL A 75 8.543 -0.901 -6.484 1.00 74.24 C ATOM 1080 O VAL A 75 9.133 0.184 -6.512 1.00 61.55 O ATOM 1081 CB VAL A 75 8.903 -2.104 -4.250 1.00 34.22 C ATOM 1082 CG1 VAL A 75 7.441 -2.356 -3.864 1.00 23.12 C ATOM 1083 CG2 VAL A 75 9.733 -3.181 -3.543 1.00 3.02 C ATOM 0 H VAL A 75 10.975 -1.039 -5.757 1.00 43.43 H new ATOM 0 HA VAL A 75 8.755 -3.006 -6.168 1.00 15.20 H new ATOM 0 HB VAL A 75 9.177 -1.098 -3.932 1.00 34.22 H new ATOM 0 HG11 VAL A 75 7.345 -2.351 -2.778 1.00 23.12 H new ATOM 0 HG12 VAL A 75 6.813 -1.572 -4.287 1.00 23.12 H new ATOM 0 HG13 VAL A 75 7.124 -3.324 -4.252 1.00 23.12 H new ATOM 0 HG21 VAL A 75 9.514 -3.166 -2.475 1.00 3.02 H new ATOM 0 HG22 VAL A 75 9.482 -4.160 -3.951 1.00 3.02 H new ATOM 0 HG23 VAL A 75 10.794 -2.984 -3.699 1.00 3.02 H new ATOM 1093 N SER A 76 7.363 -1.085 -7.070 1.00 64.53 N ATOM 1094 CA SER A 76 6.560 0.002 -7.623 1.00 62.51 C ATOM 1095 C SER A 76 5.308 0.143 -6.763 1.00 33.33 C ATOM 1096 O SER A 76 4.911 -0.811 -6.088 1.00 52.22 O ATOM 1097 CB SER A 76 6.213 -0.278 -9.091 1.00 4.23 C ATOM 1098 OG SER A 76 7.379 -0.447 -9.882 1.00 0.10 O ATOM 0 H SER A 76 6.932 -2.004 -7.175 1.00 64.53 H new ATOM 0 HA SER A 76 7.118 0.938 -7.607 1.00 62.51 H new ATOM 0 HB2 SER A 76 5.597 -1.175 -9.155 1.00 4.23 H new ATOM 0 HB3 SER A 76 5.620 0.546 -9.488 1.00 4.23 H new ATOM 0 HG SER A 76 7.121 -0.625 -10.811 1.00 0.10 H new ATOM 1103 N MET A 77 4.694 1.323 -6.766 1.00 11.24 N ATOM 1104 CA MET A 77 3.496 1.601 -5.986 1.00 72.42 C ATOM 1105 C MET A 77 2.444 2.263 -6.860 1.00 43.25 C ATOM 1106 O MET A 77 2.769 3.055 -7.748 1.00 53.35 O ATOM 1107 CB MET A 77 3.803 2.399 -4.713 1.00 0.20 C ATOM 1108 CG MET A 77 4.662 3.651 -4.920 1.00 41.22 C ATOM 1109 SD MET A 77 5.796 4.104 -3.577 1.00 71.35 S ATOM 1110 CE MET A 77 4.722 4.066 -2.117 1.00 21.32 C ATOM 0 H MET A 77 5.018 2.119 -7.315 1.00 11.24 H new ATOM 0 HA MET A 77 3.086 0.653 -5.638 1.00 72.42 H new ATOM 0 HB2 MET A 77 2.860 2.696 -4.253 1.00 0.20 H new ATOM 0 HB3 MET A 77 4.310 1.743 -4.005 1.00 0.20 H new ATOM 0 HG2 MET A 77 5.250 3.512 -5.827 1.00 41.22 H new ATOM 0 HG3 MET A 77 3.995 4.494 -5.099 1.00 41.22 H new ATOM 0 HE1 MET A 77 5.185 4.635 -1.310 1.00 21.32 H new ATOM 0 HE2 MET A 77 3.756 4.507 -2.364 1.00 21.32 H new ATOM 0 HE3 MET A 77 4.579 3.034 -1.798 1.00 21.32 H new ATOM 1118 N HIS A 78 1.188 1.895 -6.614 1.00 55.42 N ATOM 1119 CA HIS A 78 0.038 2.191 -7.461 1.00 3.34 C ATOM 1120 C HIS A 78 -1.169 2.442 -6.566 1.00 21.11 C ATOM 1121 O HIS A 78 -1.255 1.888 -5.466 1.00 61.51 O ATOM 1122 CB HIS A 78 -0.254 0.996 -8.388 1.00 11.13 C ATOM 1123 CG HIS A 78 0.986 0.424 -9.024 1.00 41.02 C ATOM 1124 ND1 HIS A 78 1.672 0.950 -10.095 1.00 53.24 N ATOM 1125 CD2 HIS A 78 1.766 -0.556 -8.471 1.00 75.54 C ATOM 1126 CE1 HIS A 78 2.848 0.307 -10.168 1.00 13.12 C ATOM 1127 NE2 HIS A 78 2.943 -0.635 -9.217 1.00 35.15 N ATOM 0 H HIS A 78 0.935 1.360 -5.783 1.00 55.42 H new ATOM 0 HA HIS A 78 0.247 3.069 -8.072 1.00 3.34 H new ATOM 0 HB2 HIS A 78 -0.755 0.215 -7.817 1.00 11.13 H new ATOM 0 HB3 HIS A 78 -0.944 1.311 -9.171 1.00 11.13 H new ATOM 0 HD1 HIS A 78 1.347 1.690 -10.717 1.00 53.24 H new ATOM 0 HD2 HIS A 78 1.515 -1.160 -7.611 1.00 75.54 H new ATOM 0 HE1 HIS A 78 3.617 0.520 -10.896 1.00 13.12 H new ATOM 1134 N TYR A 79 -2.115 3.244 -7.044 1.00 60.12 N ATOM 1135 CA TYR A 79 -3.303 3.603 -6.295 1.00 32.35 C ATOM 1136 C TYR A 79 -4.405 2.575 -6.546 1.00 51.42 C ATOM 1137 O TYR A 79 -5.081 2.630 -7.572 1.00 23.21 O ATOM 1138 CB TYR A 79 -3.717 5.032 -6.675 1.00 31.22 C ATOM 1139 CG TYR A 79 -2.767 6.130 -6.216 1.00 34.24 C ATOM 1140 CD1 TYR A 79 -2.211 6.098 -4.921 1.00 52.35 C ATOM 1141 CD2 TYR A 79 -2.469 7.215 -7.065 1.00 51.03 C ATOM 1142 CE1 TYR A 79 -1.398 7.150 -4.474 1.00 73.54 C ATOM 1143 CE2 TYR A 79 -1.623 8.255 -6.632 1.00 0.04 C ATOM 1144 CZ TYR A 79 -1.082 8.226 -5.328 1.00 20.44 C ATOM 1145 OH TYR A 79 -0.289 9.222 -4.855 1.00 41.24 O ATOM 0 H TYR A 79 -2.073 3.665 -7.972 1.00 60.12 H new ATOM 0 HA TYR A 79 -3.105 3.591 -5.223 1.00 32.35 H new ATOM 0 HB2 TYR A 79 -3.814 5.088 -7.759 1.00 31.22 H new ATOM 0 HB3 TYR A 79 -4.704 5.230 -6.256 1.00 31.22 H new ATOM 0 HD1 TYR A 79 -2.412 5.260 -4.270 1.00 52.35 H new ATOM 0 HD2 TYR A 79 -2.894 7.249 -8.057 1.00 51.03 H new ATOM 0 HE1 TYR A 79 -1.010 7.135 -3.466 1.00 73.54 H new ATOM 0 HE2 TYR A 79 -1.389 9.073 -7.297 1.00 0.04 H new ATOM 0 HH TYR A 79 -0.156 9.895 -5.555 1.00 41.24 H new ATOM 1154 N SER A 80 -4.610 1.655 -5.604 1.00 32.12 N ATOM 1155 CA SER A 80 -5.642 0.615 -5.637 1.00 22.12 C ATOM 1156 C SER A 80 -6.827 1.012 -4.745 1.00 4.35 C ATOM 1157 O SER A 80 -7.268 0.241 -3.896 1.00 33.13 O ATOM 1158 CB SER A 80 -4.999 -0.724 -5.238 1.00 32.05 C ATOM 1159 OG SER A 80 -4.654 -1.458 -6.410 1.00 61.44 O ATOM 0 H SER A 80 -4.038 1.611 -4.761 1.00 32.12 H new ATOM 0 HA SER A 80 -6.050 0.501 -6.641 1.00 22.12 H new ATOM 0 HB2 SER A 80 -4.110 -0.546 -4.634 1.00 32.05 H new ATOM 0 HB3 SER A 80 -5.690 -1.302 -4.625 1.00 32.05 H new ATOM 0 HG SER A 80 -4.243 -2.310 -6.153 1.00 61.44 H new