USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HD1:sc= -0.116 K(o=1.9,f=-1.3!) USER MOD Set 1.2: A 64 GLN : amide:sc= 1.06 K(o=1.9,f=1.2) USER MOD Set 1.3: A 67 THR OG1 : rot -83:sc= 0.999 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.624 K(o=0.62,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.493 K(o=-0.49,f=-4!) USER MOD Single : A 22 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= 1.1 (180deg=0.0656) USER MOD Single : A 26 ASN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 27 SER OG : rot -160:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.272 K(o=0.27,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 55 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.8) USER MOD Single : A 58 MET CE :methyl 170:sc= -0.0853 (180deg=-0.415) USER MOD Single : A 65 HIS : no HD1:sc= 0.318 K(o=0.32,f=-6.2!) USER MOD Single : A 70 LYS NZ :NH3+ 133:sc= 1.14 (180deg=-1.04) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 75 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.67) USER MOD Single : A 79 THR OG1 : rot 8:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.444 12.044 2.010 1.00 73.33 N ATOM 2 CA GLY A 1 -14.235 11.524 0.885 1.00 55.13 C ATOM 3 C GLY A 1 -14.695 10.107 1.163 1.00 0.31 C ATOM 4 O GLY A 1 -15.236 9.828 2.236 1.00 42.12 O ATOM 0 H1 GLY A 1 -13.139 13.016 1.800 1.00 73.33 H new ATOM 0 H2 GLY A 1 -14.025 12.043 2.873 1.00 73.33 H new ATOM 0 H3 GLY A 1 -12.608 11.442 2.154 1.00 73.33 H new ATOM 0 HA2 GLY A 1 -15.100 12.165 0.715 1.00 55.13 H new ATOM 0 HA3 GLY A 1 -13.638 11.545 -0.027 1.00 55.13 H new ATOM 8 N ASN A 2 -14.538 9.207 0.192 1.00 71.41 N ATOM 9 CA ASN A 2 -14.902 7.791 0.295 1.00 65.22 C ATOM 10 C ASN A 2 -13.712 6.941 -0.132 1.00 13.34 C ATOM 11 O ASN A 2 -13.834 6.038 -0.956 1.00 70.13 O ATOM 12 CB ASN A 2 -16.216 7.406 -0.415 1.00 1.54 C ATOM 13 CG ASN A 2 -16.344 7.860 -1.860 1.00 53.34 C ATOM 14 OD1 ASN A 2 -17.268 8.597 -2.188 1.00 73.54 O ATOM 15 ND2 ASN A 2 -15.478 7.451 -2.766 1.00 25.32 N ATOM 0 H ASN A 2 -14.142 9.449 -0.716 1.00 71.41 H new ATOM 0 HA ASN A 2 -15.131 7.586 1.341 1.00 65.22 H new ATOM 0 HB2 ASN A 2 -16.319 6.321 -0.384 1.00 1.54 H new ATOM 0 HB3 ASN A 2 -17.049 7.822 0.152 1.00 1.54 H new ATOM 0 HD21 ASN A 2 -15.577 7.747 -3.737 1.00 25.32 H new ATOM 0 HD22 ASN A 2 -14.709 6.838 -2.496 1.00 25.32 H new ATOM 22 N ARG A 3 -12.530 7.279 0.377 1.00 51.33 N ATOM 23 CA ARG A 3 -11.310 6.545 0.099 1.00 64.01 C ATOM 24 C ARG A 3 -10.501 6.433 1.377 1.00 72.33 C ATOM 25 O ARG A 3 -10.662 7.238 2.297 1.00 54.34 O ATOM 26 CB ARG A 3 -10.499 7.117 -1.070 1.00 53.22 C ATOM 27 CG ARG A 3 -10.128 8.593 -0.979 1.00 72.15 C ATOM 28 CD ARG A 3 -8.923 8.824 -1.895 1.00 40.44 C ATOM 29 NE ARG A 3 -8.810 10.228 -2.315 1.00 61.30 N ATOM 30 CZ ARG A 3 -9.312 10.773 -3.429 1.00 22.11 C ATOM 31 NH1 ARG A 3 -10.169 10.108 -4.198 1.00 74.11 N ATOM 32 NH2 ARG A 3 -8.977 12.004 -3.789 1.00 52.31 N ATOM 0 H ARG A 3 -12.397 8.077 0.998 1.00 51.33 H new ATOM 0 HA ARG A 3 -11.585 5.546 -0.239 1.00 64.01 H new ATOM 0 HB2 ARG A 3 -9.580 6.539 -1.164 1.00 53.22 H new ATOM 0 HB3 ARG A 3 -11.067 6.963 -1.988 1.00 53.22 H new ATOM 0 HG2 ARG A 3 -10.967 9.218 -1.285 1.00 72.15 H new ATOM 0 HG3 ARG A 3 -9.886 8.864 0.048 1.00 72.15 H new ATOM 0 HD2 ARG A 3 -8.012 8.527 -1.377 1.00 40.44 H new ATOM 0 HD3 ARG A 3 -9.011 8.188 -2.776 1.00 40.44 H new ATOM 0 HE ARG A 3 -8.296 10.851 -1.693 1.00 61.30 H new ATOM 0 HH11 ARG A 3 -10.456 9.163 -3.943 1.00 74.11 H new ATOM 0 HH12 ARG A 3 -10.539 10.543 -5.043 1.00 74.11 H new ATOM 0 HH21 ARG A 3 -8.331 12.545 -3.215 1.00 52.31 H new ATOM 0 HH22 ARG A 3 -9.366 12.410 -4.640 1.00 52.31 H new ATOM 46 N PHE A 4 -9.647 5.428 1.411 1.00 14.31 N ATOM 47 CA PHE A 4 -8.748 5.089 2.490 1.00 42.43 C ATOM 48 C PHE A 4 -7.350 5.091 1.863 1.00 34.25 C ATOM 49 O PHE A 4 -7.206 5.088 0.633 1.00 75.13 O ATOM 50 CB PHE A 4 -9.173 3.752 3.114 1.00 35.52 C ATOM 51 CG PHE A 4 -10.355 3.800 4.074 1.00 64.43 C ATOM 52 CD1 PHE A 4 -11.670 3.974 3.601 1.00 65.20 C ATOM 53 CD2 PHE A 4 -10.148 3.593 5.452 1.00 60.24 C ATOM 54 CE1 PHE A 4 -12.760 3.918 4.483 1.00 54.14 C ATOM 55 CE2 PHE A 4 -11.234 3.561 6.341 1.00 42.15 C ATOM 56 CZ PHE A 4 -12.542 3.704 5.852 1.00 41.20 C ATOM 0 H PHE A 4 -9.560 4.782 0.626 1.00 14.31 H new ATOM 0 HA PHE A 4 -8.763 5.793 3.322 1.00 42.43 H new ATOM 0 HB2 PHE A 4 -9.415 3.060 2.308 1.00 35.52 H new ATOM 0 HB3 PHE A 4 -8.317 3.335 3.645 1.00 35.52 H new ATOM 0 HD1 PHE A 4 -11.841 4.152 2.550 1.00 65.20 H new ATOM 0 HD2 PHE A 4 -9.145 3.458 5.828 1.00 60.24 H new ATOM 0 HE1 PHE A 4 -13.766 4.040 4.108 1.00 54.14 H new ATOM 0 HE2 PHE A 4 -11.063 3.427 7.399 1.00 42.15 H new ATOM 0 HZ PHE A 4 -13.381 3.649 6.530 1.00 41.20 H new ATOM 66 N ILE A 5 -6.333 5.206 2.710 1.00 63.22 N ATOM 67 CA ILE A 5 -4.928 5.272 2.338 1.00 44.43 C ATOM 68 C ILE A 5 -4.086 4.360 3.228 1.00 51.30 C ATOM 69 O ILE A 5 -4.181 4.396 4.460 1.00 43.13 O ATOM 70 CB ILE A 5 -4.438 6.742 2.404 1.00 53.33 C ATOM 71 CG1 ILE A 5 -5.233 7.710 1.485 1.00 63.50 C ATOM 72 CG2 ILE A 5 -2.937 6.860 2.047 1.00 75.21 C ATOM 73 CD1 ILE A 5 -5.332 9.107 2.090 1.00 21.32 C ATOM 0 H ILE A 5 -6.474 5.258 3.719 1.00 63.22 H new ATOM 0 HA ILE A 5 -4.814 4.917 1.314 1.00 44.43 H new ATOM 0 HB ILE A 5 -4.608 7.039 3.439 1.00 53.33 H new ATOM 0 HG12 ILE A 5 -4.747 7.769 0.511 1.00 63.50 H new ATOM 0 HG13 ILE A 5 -6.235 7.314 1.318 1.00 63.50 H new ATOM 0 HG21 ILE A 5 -2.630 7.904 2.104 1.00 75.21 H new ATOM 0 HG22 ILE A 5 -2.348 6.270 2.750 1.00 75.21 H new ATOM 0 HG23 ILE A 5 -2.773 6.489 1.035 1.00 75.21 H new ATOM 0 HD11 ILE A 5 -5.895 9.755 1.418 1.00 21.32 H new ATOM 0 HD12 ILE A 5 -5.841 9.052 3.052 1.00 21.32 H new ATOM 0 HD13 ILE A 5 -4.331 9.514 2.232 1.00 21.32 H new ATOM 85 N VAL A 6 -3.262 3.530 2.603 1.00 22.21 N ATOM 86 CA VAL A 6 -2.356 2.610 3.265 1.00 21.13 C ATOM 87 C VAL A 6 -0.978 3.258 3.165 1.00 43.04 C ATOM 88 O VAL A 6 -0.565 3.720 2.091 1.00 11.24 O ATOM 89 CB VAL A 6 -2.404 1.216 2.613 1.00 24.44 C ATOM 90 CG1 VAL A 6 -1.432 0.242 3.291 1.00 51.41 C ATOM 91 CG2 VAL A 6 -3.811 0.614 2.703 1.00 3.25 C ATOM 0 H VAL A 6 -3.206 3.479 1.586 1.00 22.21 H new ATOM 0 HA VAL A 6 -2.629 2.441 4.307 1.00 21.13 H new ATOM 0 HB VAL A 6 -2.119 1.354 1.570 1.00 24.44 H new ATOM 0 HG11 VAL A 6 -1.494 -0.731 2.804 1.00 51.41 H new ATOM 0 HG12 VAL A 6 -0.415 0.626 3.208 1.00 51.41 H new ATOM 0 HG13 VAL A 6 -1.696 0.139 4.344 1.00 51.41 H new ATOM 0 HG21 VAL A 6 -3.816 -0.370 2.235 1.00 3.25 H new ATOM 0 HG22 VAL A 6 -4.100 0.520 3.750 1.00 3.25 H new ATOM 0 HG23 VAL A 6 -4.519 1.264 2.188 1.00 3.25 H new ATOM 101 N PHE A 7 -0.315 3.364 4.309 1.00 40.04 N ATOM 102 CA PHE A 7 1.013 3.920 4.457 1.00 32.42 C ATOM 103 C PHE A 7 1.971 2.736 4.460 1.00 70.01 C ATOM 104 O PHE A 7 1.654 1.696 5.042 1.00 52.00 O ATOM 105 CB PHE A 7 1.078 4.640 5.803 1.00 74.24 C ATOM 106 CG PHE A 7 2.402 5.302 6.121 1.00 35.24 C ATOM 107 CD1 PHE A 7 3.441 4.561 6.716 1.00 35.24 C ATOM 108 CD2 PHE A 7 2.592 6.667 5.843 1.00 43.12 C ATOM 109 CE1 PHE A 7 4.654 5.180 7.041 1.00 32.43 C ATOM 110 CE2 PHE A 7 3.805 7.290 6.170 1.00 53.03 C ATOM 111 CZ PHE A 7 4.832 6.543 6.767 1.00 61.54 C ATOM 0 H PHE A 7 -0.710 3.049 5.195 1.00 40.04 H new ATOM 0 HA PHE A 7 1.263 4.623 3.662 1.00 32.42 H new ATOM 0 HB2 PHE A 7 0.296 5.399 5.828 1.00 74.24 H new ATOM 0 HB3 PHE A 7 0.851 3.922 6.591 1.00 74.24 H new ATOM 0 HD1 PHE A 7 3.302 3.510 6.923 1.00 35.24 H new ATOM 0 HD2 PHE A 7 1.802 7.237 5.377 1.00 43.12 H new ATOM 0 HE1 PHE A 7 5.448 4.610 7.500 1.00 32.43 H new ATOM 0 HE2 PHE A 7 3.948 8.340 5.963 1.00 53.03 H new ATOM 0 HZ PHE A 7 5.767 7.022 7.017 1.00 61.54 H new ATOM 121 N VAL A 8 3.133 2.877 3.831 1.00 74.14 N ATOM 122 CA VAL A 8 4.148 1.837 3.763 1.00 32.21 C ATOM 123 C VAL A 8 5.485 2.542 3.971 1.00 34.31 C ATOM 124 O VAL A 8 5.673 3.575 3.335 1.00 21.45 O ATOM 125 CB VAL A 8 4.116 1.112 2.395 1.00 53.01 C ATOM 126 CG1 VAL A 8 4.804 -0.259 2.467 1.00 72.31 C ATOM 127 CG2 VAL A 8 2.704 0.899 1.827 1.00 62.31 C ATOM 0 H VAL A 8 3.399 3.734 3.346 1.00 74.14 H new ATOM 0 HA VAL A 8 3.977 1.071 4.520 1.00 32.21 H new ATOM 0 HB VAL A 8 4.653 1.784 1.726 1.00 53.01 H new ATOM 0 HG11 VAL A 8 4.762 -0.739 1.489 1.00 72.31 H new ATOM 0 HG12 VAL A 8 5.845 -0.129 2.763 1.00 72.31 H new ATOM 0 HG13 VAL A 8 4.294 -0.884 3.200 1.00 72.31 H new ATOM 0 HG21 VAL A 8 2.771 0.385 0.868 1.00 62.31 H new ATOM 0 HG22 VAL A 8 2.120 0.296 2.522 1.00 62.31 H new ATOM 0 HG23 VAL A 8 2.218 1.865 1.688 1.00 62.31 H new ATOM 137 N GLY A 9 6.396 2.051 4.820 1.00 23.15 N ATOM 138 CA GLY A 9 7.701 2.688 5.028 1.00 4.21 C ATOM 139 C GLY A 9 8.818 1.657 5.176 1.00 64.42 C ATOM 140 O GLY A 9 8.565 0.450 5.143 1.00 35.23 O ATOM 0 H GLY A 9 6.251 1.209 5.377 1.00 23.15 H new ATOM 0 HA2 GLY A 9 7.922 3.346 4.188 1.00 4.21 H new ATOM 0 HA3 GLY A 9 7.662 3.313 5.920 1.00 4.21 H new ATOM 144 N SER A 10 10.057 2.136 5.328 1.00 1.31 N ATOM 145 CA SER A 10 11.305 1.384 5.453 1.00 25.12 C ATOM 146 C SER A 10 11.731 0.785 4.097 1.00 42.53 C ATOM 147 O SER A 10 12.572 -0.112 4.046 1.00 2.41 O ATOM 148 CB SER A 10 11.200 0.332 6.573 1.00 3.33 C ATOM 149 OG SER A 10 11.912 0.760 7.724 1.00 24.11 O ATOM 0 H SER A 10 10.224 3.141 5.370 1.00 1.31 H new ATOM 0 HA SER A 10 12.100 2.070 5.745 1.00 25.12 H new ATOM 0 HB2 SER A 10 10.153 0.165 6.827 1.00 3.33 H new ATOM 0 HB3 SER A 10 11.599 -0.620 6.224 1.00 3.33 H new ATOM 0 HG SER A 10 11.835 0.082 8.427 1.00 24.11 H new ATOM 155 N LEU A 11 11.167 1.269 2.986 1.00 2.22 N ATOM 156 CA LEU A 11 11.427 0.796 1.629 1.00 24.44 C ATOM 157 C LEU A 11 12.882 0.986 1.179 1.00 44.13 C ATOM 158 O LEU A 11 13.518 1.978 1.556 1.00 22.54 O ATOM 159 CB LEU A 11 10.494 1.502 0.621 1.00 64.33 C ATOM 160 CG LEU A 11 9.061 0.939 0.560 1.00 3.31 C ATOM 161 CD1 LEU A 11 8.341 0.960 1.914 1.00 61.34 C ATOM 162 CD2 LEU A 11 8.211 1.780 -0.385 1.00 22.34 C ATOM 0 H LEU A 11 10.490 2.032 3.012 1.00 2.22 H new ATOM 0 HA LEU A 11 11.231 -0.276 1.649 1.00 24.44 H new ATOM 0 HB2 LEU A 11 10.442 2.561 0.876 1.00 64.33 H new ATOM 0 HB3 LEU A 11 10.938 1.434 -0.372 1.00 64.33 H new ATOM 0 HG LEU A 11 9.169 -0.093 0.225 1.00 3.31 H new ATOM 0 HD11 LEU A 11 7.338 0.550 1.799 1.00 61.34 H new ATOM 0 HD12 LEU A 11 8.899 0.359 2.632 1.00 61.34 H new ATOM 0 HD13 LEU A 11 8.274 1.986 2.275 1.00 61.34 H new ATOM 0 HD21 LEU A 11 7.200 1.375 -0.422 1.00 22.34 H new ATOM 0 HD22 LEU A 11 8.177 2.809 -0.026 1.00 22.34 H new ATOM 0 HD23 LEU A 11 8.647 1.758 -1.384 1.00 22.34 H new ATOM 174 N PRO A 12 13.394 0.070 0.331 1.00 72.11 N ATOM 175 CA PRO A 12 14.743 0.146 -0.207 1.00 74.23 C ATOM 176 C PRO A 12 14.902 1.345 -1.142 1.00 61.40 C ATOM 177 O PRO A 12 13.928 1.911 -1.638 1.00 30.55 O ATOM 178 CB PRO A 12 14.979 -1.132 -1.028 1.00 21.41 C ATOM 179 CG PRO A 12 13.642 -1.866 -1.079 1.00 22.34 C ATOM 180 CD PRO A 12 12.705 -1.123 -0.135 1.00 10.33 C ATOM 0 HA PRO A 12 15.452 0.251 0.614 1.00 74.23 H new ATOM 0 HB2 PRO A 12 15.327 -0.890 -2.032 1.00 21.41 H new ATOM 0 HB3 PRO A 12 15.746 -1.754 -0.566 1.00 21.41 H new ATOM 0 HG2 PRO A 12 13.243 -1.876 -2.093 1.00 22.34 H new ATOM 0 HG3 PRO A 12 13.758 -2.905 -0.772 1.00 22.34 H new ATOM 0 HD2 PRO A 12 11.781 -0.854 -0.647 1.00 10.33 H new ATOM 0 HD3 PRO A 12 12.429 -1.758 0.707 1.00 10.33 H new ATOM 188 N ARG A 13 16.150 1.695 -1.445 1.00 63.45 N ATOM 189 CA ARG A 13 16.469 2.793 -2.351 1.00 20.11 C ATOM 190 C ARG A 13 16.246 2.378 -3.803 1.00 5.24 C ATOM 191 O ARG A 13 15.920 3.223 -4.628 1.00 11.40 O ATOM 192 CB ARG A 13 17.919 3.252 -2.141 1.00 61.01 C ATOM 193 CG ARG A 13 18.016 4.645 -1.520 1.00 42.24 C ATOM 194 CD ARG A 13 17.490 4.710 -0.083 1.00 12.14 C ATOM 195 NE ARG A 13 17.667 6.069 0.438 1.00 55.23 N ATOM 196 CZ ARG A 13 17.550 6.480 1.699 1.00 34.41 C ATOM 197 NH1 ARG A 13 17.067 5.685 2.653 1.00 43.03 N ATOM 198 NH2 ARG A 13 17.917 7.715 2.010 1.00 71.24 N ATOM 0 H ARG A 13 16.971 1.222 -1.067 1.00 63.45 H new ATOM 0 HA ARG A 13 15.803 3.627 -2.129 1.00 20.11 H new ATOM 0 HB2 ARG A 13 18.432 2.536 -1.499 1.00 61.01 H new ATOM 0 HB3 ARG A 13 18.438 3.250 -3.099 1.00 61.01 H new ATOM 0 HG2 ARG A 13 19.057 4.968 -1.533 1.00 42.24 H new ATOM 0 HG3 ARG A 13 17.456 5.349 -2.136 1.00 42.24 H new ATOM 0 HD2 ARG A 13 16.436 4.433 -0.057 1.00 12.14 H new ATOM 0 HD3 ARG A 13 18.023 3.996 0.544 1.00 12.14 H new ATOM 0 HE ARG A 13 17.909 6.785 -0.247 1.00 55.23 H new ATOM 0 HH11 ARG A 13 16.775 4.734 2.426 1.00 43.03 H new ATOM 0 HH12 ARG A 13 16.989 6.027 3.611 1.00 43.03 H new ATOM 0 HH21 ARG A 13 18.283 8.335 1.288 1.00 71.24 H new ATOM 0 HH22 ARG A 13 17.834 8.045 2.972 1.00 71.24 H new ATOM 212 N ASP A 14 16.409 1.090 -4.113 1.00 42.31 N ATOM 213 CA ASP A 14 16.251 0.541 -5.465 1.00 1.42 C ATOM 214 C ASP A 14 14.807 0.125 -5.778 1.00 64.35 C ATOM 215 O ASP A 14 14.547 -0.645 -6.706 1.00 3.50 O ATOM 216 CB ASP A 14 17.234 -0.615 -5.675 1.00 33.44 C ATOM 217 CG ASP A 14 18.006 -0.488 -6.988 1.00 53.11 C ATOM 218 OD1 ASP A 14 17.481 0.049 -7.988 1.00 73.44 O ATOM 219 OD2 ASP A 14 19.192 -0.883 -7.003 1.00 11.42 O ATOM 0 H ASP A 14 16.659 0.385 -3.420 1.00 42.31 H new ATOM 0 HA ASP A 14 16.485 1.336 -6.173 1.00 1.42 H new ATOM 0 HB2 ASP A 14 17.938 -0.646 -4.844 1.00 33.44 H new ATOM 0 HB3 ASP A 14 16.689 -1.559 -5.666 1.00 33.44 H new ATOM 224 N ILE A 15 13.855 0.548 -4.948 1.00 11.00 N ATOM 225 CA ILE A 15 12.442 0.251 -5.106 1.00 32.34 C ATOM 226 C ILE A 15 11.907 0.769 -6.459 1.00 3.54 C ATOM 227 O ILE A 15 12.214 1.887 -6.877 1.00 4.21 O ATOM 228 CB ILE A 15 11.704 0.788 -3.866 1.00 21.12 C ATOM 229 CG1 ILE A 15 10.255 0.279 -3.791 1.00 62.34 C ATOM 230 CG2 ILE A 15 11.748 2.318 -3.797 1.00 10.11 C ATOM 231 CD1 ILE A 15 10.164 -1.180 -3.353 1.00 31.20 C ATOM 0 H ILE A 15 14.055 1.121 -4.128 1.00 11.00 H new ATOM 0 HA ILE A 15 12.264 -0.823 -5.152 1.00 32.34 H new ATOM 0 HB ILE A 15 12.234 0.399 -2.997 1.00 21.12 H new ATOM 0 HG12 ILE A 15 9.692 0.899 -3.093 1.00 62.34 H new ATOM 0 HG13 ILE A 15 9.784 0.391 -4.768 1.00 62.34 H new ATOM 0 HG21 ILE A 15 11.216 2.658 -2.908 1.00 10.11 H new ATOM 0 HG22 ILE A 15 12.785 2.650 -3.749 1.00 10.11 H new ATOM 0 HG23 ILE A 15 11.274 2.736 -4.685 1.00 10.11 H new ATOM 0 HD11 ILE A 15 9.118 -1.485 -3.318 1.00 31.20 H new ATOM 0 HD12 ILE A 15 10.701 -1.808 -4.064 1.00 31.20 H new ATOM 0 HD13 ILE A 15 10.608 -1.291 -2.364 1.00 31.20 H new ATOM 243 N THR A 16 11.065 -0.019 -7.126 1.00 21.44 N ATOM 244 CA THR A 16 10.455 0.284 -8.417 1.00 62.11 C ATOM 245 C THR A 16 8.941 0.096 -8.334 1.00 74.44 C ATOM 246 O THR A 16 8.429 -0.579 -7.434 1.00 35.02 O ATOM 247 CB THR A 16 11.121 -0.576 -9.505 1.00 55.24 C ATOM 248 OG1 THR A 16 11.300 -1.897 -9.031 1.00 61.11 O ATOM 249 CG2 THR A 16 12.458 0.026 -9.951 1.00 22.42 C ATOM 0 H THR A 16 10.777 -0.928 -6.763 1.00 21.44 H new ATOM 0 HA THR A 16 10.619 1.327 -8.688 1.00 62.11 H new ATOM 0 HB THR A 16 10.465 -0.597 -10.375 1.00 55.24 H new ATOM 0 HG1 THR A 16 11.723 -2.440 -9.728 1.00 61.11 H new ATOM 0 HG21 THR A 16 12.903 -0.605 -10.720 1.00 22.42 H new ATOM 0 HG22 THR A 16 12.291 1.025 -10.353 1.00 22.42 H new ATOM 0 HG23 THR A 16 13.132 0.087 -9.097 1.00 22.42 H new ATOM 257 N ALA A 17 8.205 0.737 -9.247 1.00 25.52 N ATOM 258 CA ALA A 17 6.754 0.649 -9.302 1.00 51.24 C ATOM 259 C ALA A 17 6.322 -0.764 -9.687 1.00 25.10 C ATOM 260 O ALA A 17 5.260 -1.205 -9.259 1.00 63.15 O ATOM 261 CB ALA A 17 6.203 1.665 -10.305 1.00 12.25 C ATOM 0 H ALA A 17 8.607 1.333 -9.970 1.00 25.52 H new ATOM 0 HA ALA A 17 6.352 0.877 -8.315 1.00 51.24 H new ATOM 0 HB1 ALA A 17 5.116 1.591 -10.338 1.00 12.25 H new ATOM 0 HB2 ALA A 17 6.489 2.671 -9.998 1.00 12.25 H new ATOM 0 HB3 ALA A 17 6.611 1.458 -11.294 1.00 12.25 H new ATOM 267 N VAL A 18 7.142 -1.476 -10.461 1.00 61.13 N ATOM 268 CA VAL A 18 6.851 -2.840 -10.897 1.00 32.15 C ATOM 269 C VAL A 18 6.845 -3.789 -9.697 1.00 10.13 C ATOM 270 O VAL A 18 6.054 -4.742 -9.670 1.00 2.44 O ATOM 271 CB VAL A 18 7.800 -3.246 -12.049 1.00 75.43 C ATOM 272 CG1 VAL A 18 9.267 -2.849 -11.837 1.00 33.55 C ATOM 273 CG2 VAL A 18 7.746 -4.745 -12.361 1.00 72.24 C ATOM 0 H VAL A 18 8.033 -1.119 -10.805 1.00 61.13 H new ATOM 0 HA VAL A 18 5.847 -2.903 -11.317 1.00 32.15 H new ATOM 0 HB VAL A 18 7.417 -2.676 -12.896 1.00 75.43 H new ATOM 0 HG11 VAL A 18 9.859 -3.173 -12.693 1.00 33.55 H new ATOM 0 HG12 VAL A 18 9.340 -1.766 -11.734 1.00 33.55 H new ATOM 0 HG13 VAL A 18 9.646 -3.325 -10.933 1.00 33.55 H new ATOM 0 HG21 VAL A 18 8.432 -4.972 -13.177 1.00 72.24 H new ATOM 0 HG22 VAL A 18 8.035 -5.312 -11.476 1.00 72.24 H new ATOM 0 HG23 VAL A 18 6.732 -5.020 -12.652 1.00 72.24 H new ATOM 283 N GLU A 19 7.695 -3.537 -8.698 1.00 71.15 N ATOM 284 CA GLU A 19 7.761 -4.357 -7.501 1.00 22.44 C ATOM 285 C GLU A 19 6.521 -4.034 -6.668 1.00 42.01 C ATOM 286 O GLU A 19 5.803 -4.941 -6.257 1.00 74.11 O ATOM 287 CB GLU A 19 9.063 -4.059 -6.750 1.00 13.21 C ATOM 288 CG GLU A 19 10.284 -4.600 -7.515 1.00 24.43 C ATOM 289 CD GLU A 19 10.714 -6.009 -7.089 1.00 4.42 C ATOM 290 OE1 GLU A 19 9.860 -6.832 -6.693 1.00 44.41 O ATOM 291 OE2 GLU A 19 11.947 -6.247 -7.102 1.00 10.03 O ATOM 0 H GLU A 19 8.353 -2.758 -8.703 1.00 71.15 H new ATOM 0 HA GLU A 19 7.769 -5.422 -7.733 1.00 22.44 H new ATOM 0 HB2 GLU A 19 9.166 -2.983 -6.609 1.00 13.21 H new ATOM 0 HB3 GLU A 19 9.024 -4.508 -5.758 1.00 13.21 H new ATOM 0 HG2 GLU A 19 10.058 -4.607 -8.581 1.00 24.43 H new ATOM 0 HG3 GLU A 19 11.121 -3.917 -7.372 1.00 24.43 H new ATOM 298 N LEU A 20 6.229 -2.745 -6.471 1.00 53.44 N ATOM 299 CA LEU A 20 5.085 -2.246 -5.718 1.00 33.15 C ATOM 300 C LEU A 20 3.780 -2.808 -6.284 1.00 75.02 C ATOM 301 O LEU A 20 2.940 -3.297 -5.527 1.00 1.00 O ATOM 302 CB LEU A 20 5.117 -0.703 -5.767 1.00 1.24 C ATOM 303 CG LEU A 20 5.432 -0.003 -4.431 1.00 2.53 C ATOM 304 CD1 LEU A 20 6.669 -0.574 -3.735 1.00 20.54 C ATOM 305 CD2 LEU A 20 5.726 1.478 -4.700 1.00 4.33 C ATOM 0 H LEU A 20 6.808 -1.995 -6.848 1.00 53.44 H new ATOM 0 HA LEU A 20 5.139 -2.573 -4.680 1.00 33.15 H new ATOM 0 HB2 LEU A 20 5.861 -0.396 -6.502 1.00 1.24 H new ATOM 0 HB3 LEU A 20 4.150 -0.348 -6.124 1.00 1.24 H new ATOM 0 HG LEU A 20 4.564 -0.154 -3.790 1.00 2.53 H new ATOM 0 HD11 LEU A 20 6.839 -0.040 -2.800 1.00 20.54 H new ATOM 0 HD12 LEU A 20 6.513 -1.632 -3.526 1.00 20.54 H new ATOM 0 HD13 LEU A 20 7.538 -0.457 -4.383 1.00 20.54 H new ATOM 0 HD21 LEU A 20 5.950 1.981 -3.759 1.00 4.33 H new ATOM 0 HD22 LEU A 20 6.582 1.563 -5.370 1.00 4.33 H new ATOM 0 HD23 LEU A 20 4.856 1.944 -5.162 1.00 4.33 H new ATOM 317 N GLN A 21 3.614 -2.778 -7.609 1.00 70.21 N ATOM 318 CA GLN A 21 2.425 -3.276 -8.278 1.00 4.43 C ATOM 319 C GLN A 21 2.256 -4.766 -8.011 1.00 74.53 C ATOM 320 O GLN A 21 1.119 -5.212 -7.871 1.00 4.23 O ATOM 321 CB GLN A 21 2.481 -2.973 -9.786 1.00 10.11 C ATOM 322 CG GLN A 21 2.077 -1.529 -10.134 1.00 63.31 C ATOM 323 CD GLN A 21 0.561 -1.297 -10.103 1.00 62.00 C ATOM 324 OE1 GLN A 21 -0.117 -1.683 -9.158 1.00 41.32 O ATOM 325 NE2 GLN A 21 0.003 -0.625 -11.099 1.00 70.32 N ATOM 0 H GLN A 21 4.314 -2.401 -8.248 1.00 70.21 H new ATOM 0 HA GLN A 21 1.553 -2.762 -7.875 1.00 4.43 H new ATOM 0 HB2 GLN A 21 3.492 -3.157 -10.149 1.00 10.11 H new ATOM 0 HB3 GLN A 21 1.823 -3.664 -10.313 1.00 10.11 H new ATOM 0 HG2 GLN A 21 2.556 -0.846 -9.432 1.00 63.31 H new ATOM 0 HG3 GLN A 21 2.455 -1.283 -11.126 1.00 63.31 H new ATOM 0 HE21 GLN A 21 0.574 -0.307 -11.882 1.00 70.32 H new ATOM 0 HE22 GLN A 21 -0.997 -0.426 -11.083 1.00 70.32 H new ATOM 334 N ASN A 22 3.347 -5.535 -7.944 1.00 0.31 N ATOM 335 CA ASN A 22 3.292 -6.974 -7.668 1.00 40.14 C ATOM 336 C ASN A 22 3.002 -7.236 -6.181 1.00 50.24 C ATOM 337 O ASN A 22 2.358 -8.228 -5.833 1.00 13.43 O ATOM 338 CB ASN A 22 4.609 -7.663 -8.105 1.00 73.41 C ATOM 339 CG ASN A 22 5.333 -8.400 -6.977 1.00 62.35 C ATOM 340 OD1 ASN A 22 5.148 -9.599 -6.787 1.00 2.12 O ATOM 341 ND2 ASN A 22 6.138 -7.723 -6.182 1.00 34.04 N ATOM 0 H ASN A 22 4.293 -5.178 -8.079 1.00 0.31 H new ATOM 0 HA ASN A 22 2.475 -7.402 -8.249 1.00 40.14 H new ATOM 0 HB2 ASN A 22 4.388 -8.371 -8.904 1.00 73.41 H new ATOM 0 HB3 ASN A 22 5.279 -6.911 -8.522 1.00 73.41 H new ATOM 0 HD21 ASN A 22 6.607 -8.195 -5.409 1.00 34.04 H new ATOM 0 HD22 ASN A 22 6.292 -6.727 -6.340 1.00 34.04 H new ATOM 348 N HIS A 23 3.444 -6.353 -5.288 1.00 3.21 N ATOM 349 CA HIS A 23 3.235 -6.510 -3.856 1.00 23.34 C ATOM 350 C HIS A 23 1.756 -6.350 -3.524 1.00 53.33 C ATOM 351 O HIS A 23 1.140 -7.223 -2.910 1.00 11.25 O ATOM 352 CB HIS A 23 4.107 -5.512 -3.087 1.00 1.12 C ATOM 353 CG HIS A 23 4.550 -6.099 -1.781 1.00 41.44 C ATOM 354 ND1 HIS A 23 5.754 -6.768 -1.605 1.00 23.53 N ATOM 355 CD2 HIS A 23 3.833 -6.137 -0.623 1.00 70.14 C ATOM 356 CE1 HIS A 23 5.752 -7.194 -0.335 1.00 33.50 C ATOM 357 NE2 HIS A 23 4.614 -6.830 0.277 1.00 71.44 N ATOM 0 H HIS A 23 3.957 -5.509 -5.540 1.00 3.21 H new ATOM 0 HA HIS A 23 3.534 -7.512 -3.550 1.00 23.34 H new ATOM 0 HB2 HIS A 23 4.977 -5.244 -3.686 1.00 1.12 H new ATOM 0 HB3 HIS A 23 3.548 -4.594 -2.909 1.00 1.12 H new ATOM 0 HD2 HIS A 23 2.856 -5.712 -0.447 1.00 70.14 H new ATOM 0 HE1 HIS A 23 6.552 -7.751 0.130 1.00 33.50 H new ATOM 0 HE2 HIS A 23 4.368 -7.032 1.246 1.00 71.44 H new ATOM 365 N PHE A 24 1.150 -5.270 -4.017 1.00 61.40 N ATOM 366 CA PHE A 24 -0.256 -4.946 -3.798 1.00 71.41 C ATOM 367 C PHE A 24 -1.173 -5.504 -4.894 1.00 13.05 C ATOM 368 O PHE A 24 -2.369 -5.216 -4.915 1.00 22.12 O ATOM 369 CB PHE A 24 -0.377 -3.445 -3.521 1.00 74.12 C ATOM 370 CG PHE A 24 0.397 -3.034 -2.277 1.00 15.12 C ATOM 371 CD1 PHE A 24 -0.159 -3.229 -0.995 1.00 41.11 C ATOM 372 CD2 PHE A 24 1.697 -2.508 -2.393 1.00 52.25 C ATOM 373 CE1 PHE A 24 0.582 -2.910 0.159 1.00 75.10 C ATOM 374 CE2 PHE A 24 2.435 -2.180 -1.243 1.00 55.04 C ATOM 375 CZ PHE A 24 1.883 -2.391 0.032 1.00 33.25 C ATOM 0 H PHE A 24 1.636 -4.582 -4.592 1.00 61.40 H new ATOM 0 HA PHE A 24 -0.628 -5.458 -2.911 1.00 71.41 H new ATOM 0 HB2 PHE A 24 -0.007 -2.886 -4.380 1.00 74.12 H new ATOM 0 HB3 PHE A 24 -1.428 -3.182 -3.398 1.00 74.12 H new ATOM 0 HD1 PHE A 24 -1.159 -3.625 -0.898 1.00 41.11 H new ATOM 0 HD2 PHE A 24 2.130 -2.356 -3.371 1.00 52.25 H new ATOM 0 HE1 PHE A 24 0.153 -3.063 1.138 1.00 75.10 H new ATOM 0 HE2 PHE A 24 3.428 -1.765 -1.339 1.00 55.04 H new ATOM 0 HZ PHE A 24 2.458 -2.154 0.915 1.00 33.25 H new ATOM 385 N LYS A 25 -0.665 -6.380 -5.772 1.00 44.23 N ATOM 386 CA LYS A 25 -1.438 -6.994 -6.850 1.00 31.25 C ATOM 387 C LYS A 25 -2.685 -7.682 -6.299 1.00 75.42 C ATOM 388 O LYS A 25 -3.723 -7.670 -6.965 1.00 44.13 O ATOM 389 CB LYS A 25 -0.553 -8.013 -7.591 1.00 32.31 C ATOM 390 CG LYS A 25 -0.532 -7.956 -9.117 1.00 43.42 C ATOM 391 CD LYS A 25 -1.867 -7.867 -9.874 1.00 12.23 C ATOM 392 CE LYS A 25 -2.613 -9.185 -10.104 1.00 73.25 C ATOM 393 NZ LYS A 25 -3.378 -9.675 -8.942 1.00 64.13 N ATOM 0 H LYS A 25 0.309 -6.683 -5.749 1.00 44.23 H new ATOM 0 HA LYS A 25 -1.760 -6.217 -7.543 1.00 31.25 H new ATOM 0 HB2 LYS A 25 0.470 -7.889 -7.236 1.00 32.31 H new ATOM 0 HB3 LYS A 25 -0.874 -9.012 -7.297 1.00 32.31 H new ATOM 0 HG2 LYS A 25 0.070 -7.094 -9.407 1.00 43.42 H new ATOM 0 HG3 LYS A 25 -0.009 -8.844 -9.473 1.00 43.42 H new ATOM 0 HD2 LYS A 25 -2.526 -7.194 -9.325 1.00 12.23 H new ATOM 0 HD3 LYS A 25 -1.679 -7.408 -10.845 1.00 12.23 H new ATOM 0 HE2 LYS A 25 -3.297 -9.057 -10.943 1.00 73.25 H new ATOM 0 HE3 LYS A 25 -1.891 -9.949 -10.394 1.00 73.25 H new ATOM 0 HZ1 LYS A 25 -4.286 -10.066 -9.264 1.00 64.13 H new ATOM 0 HZ2 LYS A 25 -2.834 -10.417 -8.456 1.00 64.13 H new ATOM 0 HZ3 LYS A 25 -3.554 -8.888 -8.285 1.00 64.13 H new ATOM 407 N ASN A 26 -2.600 -8.285 -5.108 1.00 61.41 N ATOM 408 CA ASN A 26 -3.712 -8.979 -4.459 1.00 75.13 C ATOM 409 C ASN A 26 -4.660 -8.041 -3.699 1.00 33.34 C ATOM 410 O ASN A 26 -5.717 -8.480 -3.253 1.00 41.34 O ATOM 411 CB ASN A 26 -3.177 -10.076 -3.525 1.00 65.04 C ATOM 412 CG ASN A 26 -4.285 -11.041 -3.125 1.00 11.11 C ATOM 413 OD1 ASN A 26 -5.084 -11.426 -3.968 1.00 44.20 O ATOM 414 ND2 ASN A 26 -4.330 -11.517 -1.892 1.00 43.02 N ATOM 0 H ASN A 26 -1.740 -8.303 -4.560 1.00 61.41 H new ATOM 0 HA ASN A 26 -4.305 -9.428 -5.256 1.00 75.13 H new ATOM 0 HB2 ASN A 26 -2.376 -10.623 -4.022 1.00 65.04 H new ATOM 0 HB3 ASN A 26 -2.747 -9.621 -2.633 1.00 65.04 H new ATOM 0 HD21 ASN A 26 -5.034 -12.210 -1.638 1.00 43.02 H new ATOM 0 HD22 ASN A 26 -3.661 -11.191 -1.195 1.00 43.02 H new ATOM 421 N SER A 27 -4.316 -6.763 -3.532 1.00 14.25 N ATOM 422 CA SER A 27 -5.133 -5.764 -2.840 1.00 20.14 C ATOM 423 C SER A 27 -5.725 -4.735 -3.824 1.00 70.11 C ATOM 424 O SER A 27 -6.642 -4.014 -3.449 1.00 13.11 O ATOM 425 CB SER A 27 -4.359 -5.174 -1.647 1.00 53.41 C ATOM 426 OG SER A 27 -2.949 -5.192 -1.824 1.00 41.32 O ATOM 0 H SER A 27 -3.437 -6.384 -3.884 1.00 14.25 H new ATOM 0 HA SER A 27 -6.011 -6.242 -2.404 1.00 20.14 H new ATOM 0 HB2 SER A 27 -4.684 -4.146 -1.485 1.00 53.41 H new ATOM 0 HB3 SER A 27 -4.612 -5.734 -0.747 1.00 53.41 H new ATOM 0 HG SER A 27 -2.509 -5.113 -0.952 1.00 41.32 H new ATOM 432 N SER A 28 -5.281 -4.716 -5.088 1.00 54.03 N ATOM 433 CA SER A 28 -5.734 -3.847 -6.185 1.00 0.21 C ATOM 434 C SER A 28 -5.848 -2.347 -5.823 1.00 63.31 C ATOM 435 O SER A 28 -6.943 -1.782 -5.886 1.00 33.42 O ATOM 436 CB SER A 28 -7.054 -4.430 -6.726 1.00 73.21 C ATOM 437 OG SER A 28 -7.340 -4.013 -8.049 1.00 45.34 O ATOM 0 H SER A 28 -4.544 -5.352 -5.393 1.00 54.03 H new ATOM 0 HA SER A 28 -4.967 -3.847 -6.960 1.00 0.21 H new ATOM 0 HB2 SER A 28 -7.004 -5.518 -6.697 1.00 73.21 H new ATOM 0 HB3 SER A 28 -7.873 -4.131 -6.071 1.00 73.21 H new ATOM 0 HG SER A 28 -8.185 -4.412 -8.342 1.00 45.34 H new ATOM 443 N PRO A 29 -4.748 -1.673 -5.443 1.00 14.45 N ATOM 444 CA PRO A 29 -4.757 -0.256 -5.081 1.00 71.41 C ATOM 445 C PRO A 29 -5.277 0.613 -6.226 1.00 65.03 C ATOM 446 O PRO A 29 -5.290 0.218 -7.395 1.00 73.15 O ATOM 447 CB PRO A 29 -3.314 0.092 -4.704 1.00 41.23 C ATOM 448 CG PRO A 29 -2.506 -0.981 -5.437 1.00 55.35 C ATOM 449 CD PRO A 29 -3.407 -2.204 -5.340 1.00 72.04 C ATOM 0 HA PRO A 29 -5.433 -0.064 -4.247 1.00 71.41 H new ATOM 0 HB2 PRO A 29 -3.042 1.096 -5.029 1.00 41.23 H new ATOM 0 HB3 PRO A 29 -3.156 0.052 -3.626 1.00 41.23 H new ATOM 0 HG2 PRO A 29 -2.310 -0.703 -6.473 1.00 55.35 H new ATOM 0 HG3 PRO A 29 -1.539 -1.152 -4.965 1.00 55.35 H new ATOM 0 HD2 PRO A 29 -3.199 -2.915 -6.139 1.00 72.04 H new ATOM 0 HD3 PRO A 29 -3.260 -2.732 -4.398 1.00 72.04 H new ATOM 457 N ASP A 30 -5.695 1.831 -5.900 1.00 21.54 N ATOM 458 CA ASP A 30 -6.232 2.792 -6.844 1.00 71.55 C ATOM 459 C ASP A 30 -5.125 3.723 -7.300 1.00 44.13 C ATOM 460 O ASP A 30 -5.033 4.035 -8.489 1.00 74.32 O ATOM 461 CB ASP A 30 -7.409 3.555 -6.233 1.00 54.24 C ATOM 462 CG ASP A 30 -8.375 3.871 -7.361 1.00 52.21 C ATOM 463 OD1 ASP A 30 -9.159 2.949 -7.688 1.00 42.40 O ATOM 464 OD2 ASP A 30 -8.268 4.966 -7.956 1.00 21.32 O ATOM 0 H ASP A 30 -5.667 2.183 -4.943 1.00 21.54 H new ATOM 0 HA ASP A 30 -6.618 2.267 -7.718 1.00 71.55 H new ATOM 0 HB2 ASP A 30 -7.898 2.956 -5.464 1.00 54.24 H new ATOM 0 HB3 ASP A 30 -7.066 4.471 -5.753 1.00 54.24 H new ATOM 469 N GLN A 31 -4.238 4.110 -6.380 1.00 52.24 N ATOM 470 CA GLN A 31 -3.103 4.977 -6.653 1.00 61.31 C ATOM 471 C GLN A 31 -1.878 4.401 -5.949 1.00 35.32 C ATOM 472 O GLN A 31 -2.022 3.713 -4.939 1.00 45.52 O ATOM 473 CB GLN A 31 -3.394 6.418 -6.188 1.00 63.50 C ATOM 474 CG GLN A 31 -2.467 7.470 -6.823 1.00 71.31 C ATOM 475 CD GLN A 31 -2.530 8.838 -6.145 1.00 63.33 C ATOM 476 OE1 GLN A 31 -1.584 9.251 -5.475 1.00 11.12 O ATOM 477 NE2 GLN A 31 -3.615 9.569 -6.304 1.00 13.01 N ATOM 0 H GLN A 31 -4.296 3.819 -5.404 1.00 52.24 H new ATOM 0 HA GLN A 31 -2.915 5.021 -7.726 1.00 61.31 H new ATOM 0 HB2 GLN A 31 -4.428 6.666 -6.427 1.00 63.50 H new ATOM 0 HB3 GLN A 31 -3.297 6.467 -5.103 1.00 63.50 H new ATOM 0 HG2 GLN A 31 -1.441 7.105 -6.788 1.00 71.31 H new ATOM 0 HG3 GLN A 31 -2.729 7.584 -7.875 1.00 71.31 H new ATOM 0 HE21 GLN A 31 -4.392 9.214 -6.862 1.00 13.01 H new ATOM 0 HE22 GLN A 31 -3.678 10.489 -5.869 1.00 13.01 H new ATOM 486 N ILE A 32 -0.687 4.680 -6.475 1.00 63.01 N ATOM 487 CA ILE A 32 0.605 4.252 -5.964 1.00 25.42 C ATOM 488 C ILE A 32 1.527 5.461 -6.128 1.00 33.54 C ATOM 489 O ILE A 32 1.605 6.016 -7.225 1.00 53.42 O ATOM 490 CB ILE A 32 1.101 3.008 -6.744 1.00 71.44 C ATOM 491 CG1 ILE A 32 0.280 1.769 -6.319 1.00 60.23 C ATOM 492 CG2 ILE A 32 2.601 2.735 -6.527 1.00 71.13 C ATOM 493 CD1 ILE A 32 0.630 0.501 -7.098 1.00 24.35 C ATOM 0 H ILE A 32 -0.598 5.245 -7.320 1.00 63.01 H new ATOM 0 HA ILE A 32 0.568 3.945 -4.919 1.00 25.42 H new ATOM 0 HB ILE A 32 0.959 3.211 -7.805 1.00 71.44 H new ATOM 0 HG12 ILE A 32 0.438 1.587 -5.256 1.00 60.23 H new ATOM 0 HG13 ILE A 32 -0.780 1.984 -6.451 1.00 60.23 H new ATOM 0 HG21 ILE A 32 2.896 1.853 -7.096 1.00 71.13 H new ATOM 0 HG22 ILE A 32 3.180 3.595 -6.864 1.00 71.13 H new ATOM 0 HG23 ILE A 32 2.790 2.563 -5.467 1.00 71.13 H new ATOM 0 HD11 ILE A 32 0.013 -0.325 -6.744 1.00 24.35 H new ATOM 0 HD12 ILE A 32 0.444 0.663 -8.160 1.00 24.35 H new ATOM 0 HD13 ILE A 32 1.682 0.260 -6.946 1.00 24.35 H new ATOM 505 N ARG A 33 2.182 5.899 -5.053 1.00 43.33 N ATOM 506 CA ARG A 33 3.104 7.024 -5.049 1.00 25.33 C ATOM 507 C ARG A 33 4.262 6.665 -4.126 1.00 12.25 C ATOM 508 O ARG A 33 4.085 6.655 -2.905 1.00 62.34 O ATOM 509 CB ARG A 33 2.361 8.308 -4.636 1.00 32.40 C ATOM 510 CG ARG A 33 2.556 9.393 -5.696 1.00 71.24 C ATOM 511 CD ARG A 33 1.685 10.600 -5.361 1.00 44.11 C ATOM 512 NE ARG A 33 1.767 11.613 -6.421 1.00 3.02 N ATOM 513 CZ ARG A 33 0.748 12.119 -7.125 1.00 44.01 C ATOM 514 NH1 ARG A 33 -0.492 11.653 -6.985 1.00 51.14 N ATOM 515 NH2 ARG A 33 0.981 13.112 -7.978 1.00 33.01 N ATOM 0 H ARG A 33 2.079 5.465 -4.136 1.00 43.33 H new ATOM 0 HA ARG A 33 3.510 7.223 -6.041 1.00 25.33 H new ATOM 0 HB2 ARG A 33 1.299 8.098 -4.511 1.00 32.40 H new ATOM 0 HB3 ARG A 33 2.733 8.659 -3.673 1.00 32.40 H new ATOM 0 HG2 ARG A 33 3.604 9.689 -5.739 1.00 71.24 H new ATOM 0 HG3 ARG A 33 2.294 9.005 -6.680 1.00 71.24 H new ATOM 0 HD2 ARG A 33 0.650 10.283 -5.234 1.00 44.11 H new ATOM 0 HD3 ARG A 33 2.004 11.033 -4.413 1.00 44.11 H new ATOM 0 HE ARG A 33 2.697 11.968 -6.644 1.00 3.02 H new ATOM 0 HH11 ARG A 33 -0.681 10.894 -6.330 1.00 51.14 H new ATOM 0 HH12 ARG A 33 -1.253 12.055 -7.533 1.00 51.14 H new ATOM 0 HH21 ARG A 33 1.927 13.478 -8.089 1.00 33.01 H new ATOM 0 HH22 ARG A 33 0.214 13.508 -8.522 1.00 33.01 H new ATOM 529 N LEU A 34 5.418 6.324 -4.695 1.00 55.41 N ATOM 530 CA LEU A 34 6.626 5.957 -3.965 1.00 60.00 C ATOM 531 C LEU A 34 7.423 7.229 -3.685 1.00 64.35 C ATOM 532 O LEU A 34 7.819 7.940 -4.609 1.00 41.52 O ATOM 533 CB LEU A 34 7.426 4.910 -4.778 1.00 33.01 C ATOM 534 CG LEU A 34 8.710 4.321 -4.136 1.00 64.34 C ATOM 535 CD1 LEU A 34 9.955 5.165 -4.435 1.00 44.13 C ATOM 536 CD2 LEU A 34 8.614 4.182 -2.623 1.00 1.14 C ATOM 0 H LEU A 34 5.541 6.295 -5.707 1.00 55.41 H new ATOM 0 HA LEU A 34 6.387 5.493 -3.008 1.00 60.00 H new ATOM 0 HB2 LEU A 34 6.756 4.081 -5.007 1.00 33.01 H new ATOM 0 HB3 LEU A 34 7.706 5.366 -5.728 1.00 33.01 H new ATOM 0 HG LEU A 34 8.803 3.334 -4.589 1.00 64.34 H new ATOM 0 HD11 LEU A 34 10.825 4.709 -3.963 1.00 44.13 H new ATOM 0 HD12 LEU A 34 10.111 5.214 -5.513 1.00 44.13 H new ATOM 0 HD13 LEU A 34 9.815 6.172 -4.042 1.00 44.13 H new ATOM 0 HD21 LEU A 34 9.544 3.765 -2.236 1.00 1.14 H new ATOM 0 HD22 LEU A 34 8.443 5.162 -2.178 1.00 1.14 H new ATOM 0 HD23 LEU A 34 7.786 3.520 -2.370 1.00 1.14 H new ATOM 548 N ARG A 35 7.653 7.552 -2.412 1.00 45.13 N ATOM 549 CA ARG A 35 8.410 8.713 -1.964 1.00 50.24 C ATOM 550 C ARG A 35 9.729 8.196 -1.402 1.00 20.33 C ATOM 551 O ARG A 35 9.892 8.039 -0.186 1.00 63.13 O ATOM 552 CB ARG A 35 7.577 9.537 -0.963 1.00 25.13 C ATOM 553 CG ARG A 35 6.518 10.430 -1.634 1.00 63.11 C ATOM 554 CD ARG A 35 7.186 11.558 -2.427 1.00 71.24 C ATOM 555 NE ARG A 35 6.232 12.564 -2.907 1.00 72.12 N ATOM 556 CZ ARG A 35 6.566 13.742 -3.444 1.00 35.21 C ATOM 557 NH1 ARG A 35 7.839 14.076 -3.640 1.00 32.03 N ATOM 558 NH2 ARG A 35 5.608 14.585 -3.784 1.00 20.31 N ATOM 0 H ARG A 35 7.302 6.988 -1.638 1.00 45.13 H new ATOM 0 HA ARG A 35 8.633 9.402 -2.778 1.00 50.24 H new ATOM 0 HB2 ARG A 35 7.081 8.858 -0.269 1.00 25.13 H new ATOM 0 HB3 ARG A 35 8.247 10.162 -0.373 1.00 25.13 H new ATOM 0 HG2 ARG A 35 5.897 9.830 -2.299 1.00 63.11 H new ATOM 0 HG3 ARG A 35 5.858 10.853 -0.876 1.00 63.11 H new ATOM 0 HD2 ARG A 35 7.932 12.044 -1.799 1.00 71.24 H new ATOM 0 HD3 ARG A 35 7.715 11.132 -3.279 1.00 71.24 H new ATOM 0 HE ARG A 35 5.238 12.348 -2.825 1.00 72.12 H new ATOM 0 HH11 ARG A 35 8.582 13.428 -3.379 1.00 32.03 H new ATOM 0 HH12 ARG A 35 8.072 14.980 -4.051 1.00 32.03 H new ATOM 0 HH21 ARG A 35 4.631 14.333 -3.636 1.00 20.31 H new ATOM 0 HH22 ARG A 35 5.845 15.488 -4.195 1.00 20.31 H new ATOM 572 N ALA A 36 10.687 7.943 -2.303 1.00 33.25 N ATOM 573 CA ALA A 36 12.017 7.441 -1.957 1.00 53.41 C ATOM 574 C ALA A 36 12.719 8.356 -0.947 1.00 34.44 C ATOM 575 O ALA A 36 13.454 7.857 -0.096 1.00 14.44 O ATOM 576 CB ALA A 36 12.872 7.292 -3.218 1.00 35.12 C ATOM 0 H ALA A 36 10.555 8.084 -3.305 1.00 33.25 H new ATOM 0 HA ALA A 36 11.892 6.463 -1.491 1.00 53.41 H new ATOM 0 HB1 ALA A 36 13.859 6.918 -2.946 1.00 35.12 H new ATOM 0 HB2 ALA A 36 12.393 6.590 -3.901 1.00 35.12 H new ATOM 0 HB3 ALA A 36 12.973 8.262 -3.706 1.00 35.12 H new ATOM 582 N ASP A 37 12.364 9.645 -0.945 1.00 11.50 N ATOM 583 CA ASP A 37 12.869 10.724 -0.093 1.00 1.13 C ATOM 584 C ASP A 37 12.831 10.370 1.390 1.00 14.14 C ATOM 585 O ASP A 37 13.603 10.917 2.178 1.00 45.13 O ATOM 586 CB ASP A 37 11.990 11.969 -0.278 1.00 71.34 C ATOM 587 CG ASP A 37 12.159 12.646 -1.631 1.00 10.31 C ATOM 588 OD1 ASP A 37 11.981 11.966 -2.669 1.00 33.30 O ATOM 589 OD2 ASP A 37 12.396 13.873 -1.643 1.00 40.24 O ATOM 0 H ASP A 37 11.656 9.988 -1.595 1.00 11.50 H new ATOM 0 HA ASP A 37 13.903 10.897 -0.390 1.00 1.13 H new ATOM 0 HB2 ASP A 37 10.945 11.686 -0.152 1.00 71.34 H new ATOM 0 HB3 ASP A 37 12.223 12.687 0.508 1.00 71.34 H new ATOM 594 N LYS A 38 11.892 9.506 1.786 1.00 24.13 N ATOM 595 CA LYS A 38 11.724 9.029 3.154 1.00 75.11 C ATOM 596 C LYS A 38 11.556 7.503 3.173 1.00 51.31 C ATOM 597 O LYS A 38 11.221 6.958 4.219 1.00 21.12 O ATOM 598 CB LYS A 38 10.595 9.796 3.861 1.00 14.34 C ATOM 599 CG LYS A 38 10.974 11.252 4.166 1.00 55.25 C ATOM 600 CD LYS A 38 9.871 11.975 4.955 1.00 2.31 C ATOM 601 CE LYS A 38 10.228 13.454 5.146 1.00 62.34 C ATOM 602 NZ LYS A 38 11.307 13.636 6.132 1.00 75.14 N ATOM 0 H LYS A 38 11.209 9.109 1.141 1.00 24.13 H new ATOM 0 HA LYS A 38 12.626 9.237 3.730 1.00 75.11 H new ATOM 0 HB2 LYS A 38 9.702 9.780 3.236 1.00 14.34 H new ATOM 0 HB3 LYS A 38 10.342 9.287 4.791 1.00 14.34 H new ATOM 0 HG2 LYS A 38 11.903 11.274 4.736 1.00 55.25 H new ATOM 0 HG3 LYS A 38 11.160 11.782 3.232 1.00 55.25 H new ATOM 0 HD2 LYS A 38 8.922 11.889 4.426 1.00 2.31 H new ATOM 0 HD3 LYS A 38 9.739 11.498 5.926 1.00 2.31 H new ATOM 0 HE2 LYS A 38 10.534 13.880 4.190 1.00 62.34 H new ATOM 0 HE3 LYS A 38 9.343 14.002 5.471 1.00 62.34 H new ATOM 0 HZ1 LYS A 38 11.519 14.649 6.232 1.00 75.14 H new ATOM 0 HZ2 LYS A 38 11.006 13.253 7.051 1.00 75.14 H new ATOM 0 HZ3 LYS A 38 12.159 13.135 5.810 1.00 75.14 H new ATOM 616 N GLY A 39 11.762 6.800 2.050 1.00 24.33 N ATOM 617 CA GLY A 39 11.626 5.349 1.951 1.00 51.14 C ATOM 618 C GLY A 39 10.216 4.908 2.322 1.00 4.33 C ATOM 619 O GLY A 39 10.058 3.924 3.040 1.00 43.10 O ATOM 0 H GLY A 39 12.033 7.238 1.170 1.00 24.33 H new ATOM 0 HA2 GLY A 39 11.857 5.027 0.936 1.00 51.14 H new ATOM 0 HA3 GLY A 39 12.347 4.866 2.610 1.00 51.14 H new ATOM 623 N ILE A 40 9.199 5.615 1.832 1.00 21.41 N ATOM 624 CA ILE A 40 7.788 5.355 2.103 1.00 65.21 C ATOM 625 C ILE A 40 6.960 5.420 0.827 1.00 64.13 C ATOM 626 O ILE A 40 7.438 5.906 -0.196 1.00 50.12 O ATOM 627 CB ILE A 40 7.246 6.385 3.122 1.00 2.23 C ATOM 628 CG1 ILE A 40 7.778 7.782 2.790 1.00 62.43 C ATOM 629 CG2 ILE A 40 7.598 6.038 4.579 1.00 55.21 C ATOM 630 CD1 ILE A 40 6.891 8.927 3.266 1.00 3.33 C ATOM 0 H ILE A 40 9.341 6.413 1.213 1.00 21.41 H new ATOM 0 HA ILE A 40 7.706 4.350 2.517 1.00 65.21 H new ATOM 0 HB ILE A 40 6.160 6.360 3.038 1.00 2.23 H new ATOM 0 HG12 ILE A 40 8.766 7.896 3.235 1.00 62.43 H new ATOM 0 HG13 ILE A 40 7.904 7.862 1.710 1.00 62.43 H new ATOM 0 HG21 ILE A 40 7.189 6.799 5.243 1.00 55.21 H new ATOM 0 HG22 ILE A 40 7.173 5.067 4.835 1.00 55.21 H new ATOM 0 HG23 ILE A 40 8.681 6.001 4.693 1.00 55.21 H new ATOM 0 HD11 ILE A 40 7.345 9.878 2.988 1.00 3.33 H new ATOM 0 HD12 ILE A 40 5.909 8.844 2.801 1.00 3.33 H new ATOM 0 HD13 ILE A 40 6.785 8.878 4.350 1.00 3.33 H new ATOM 642 N ALA A 41 5.724 4.932 0.878 1.00 12.50 N ATOM 643 CA ALA A 41 4.788 4.918 -0.228 1.00 1.21 C ATOM 644 C ALA A 41 3.374 5.171 0.297 1.00 24.00 C ATOM 645 O ALA A 41 3.076 4.872 1.457 1.00 22.54 O ATOM 646 CB ALA A 41 4.886 3.573 -0.952 1.00 72.53 C ATOM 0 H ALA A 41 5.337 4.520 1.727 1.00 12.50 H new ATOM 0 HA ALA A 41 5.029 5.708 -0.939 1.00 1.21 H new ATOM 0 HB1 ALA A 41 4.184 3.556 -1.785 1.00 72.53 H new ATOM 0 HB2 ALA A 41 5.900 3.436 -1.329 1.00 72.53 H new ATOM 0 HB3 ALA A 41 4.645 2.768 -0.258 1.00 72.53 H new ATOM 652 N PHE A 42 2.506 5.702 -0.560 1.00 75.04 N ATOM 653 CA PHE A 42 1.113 6.015 -0.258 1.00 20.34 C ATOM 654 C PHE A 42 0.254 5.294 -1.281 1.00 62.13 C ATOM 655 O PHE A 42 0.466 5.468 -2.488 1.00 73.23 O ATOM 656 CB PHE A 42 0.867 7.526 -0.342 1.00 74.45 C ATOM 657 CG PHE A 42 1.661 8.370 0.633 1.00 11.13 C ATOM 658 CD1 PHE A 42 1.194 8.547 1.949 1.00 50.52 C ATOM 659 CD2 PHE A 42 2.852 9.001 0.221 1.00 31.21 C ATOM 660 CE1 PHE A 42 1.899 9.374 2.842 1.00 52.25 C ATOM 661 CE2 PHE A 42 3.560 9.819 1.120 1.00 15.32 C ATOM 662 CZ PHE A 42 3.073 10.022 2.423 1.00 22.40 C ATOM 0 H PHE A 42 2.763 5.935 -1.519 1.00 75.04 H new ATOM 0 HA PHE A 42 0.866 5.695 0.754 1.00 20.34 H new ATOM 0 HB2 PHE A 42 1.097 7.858 -1.354 1.00 74.45 H new ATOM 0 HB3 PHE A 42 -0.194 7.714 -0.178 1.00 74.45 H new ATOM 0 HD1 PHE A 42 0.293 8.047 2.273 1.00 50.52 H new ATOM 0 HD2 PHE A 42 3.221 8.857 -0.784 1.00 31.21 H new ATOM 0 HE1 PHE A 42 1.538 9.511 3.850 1.00 52.25 H new ATOM 0 HE2 PHE A 42 4.480 10.292 0.809 1.00 15.32 H new ATOM 0 HZ PHE A 42 3.601 10.676 3.101 1.00 22.40 H new ATOM 672 N LEU A 43 -0.675 4.457 -0.828 1.00 23.13 N ATOM 673 CA LEU A 43 -1.559 3.698 -1.698 1.00 24.44 C ATOM 674 C LEU A 43 -2.988 4.058 -1.355 1.00 54.44 C ATOM 675 O LEU A 43 -3.400 3.841 -0.220 1.00 2.35 O ATOM 676 CB LEU A 43 -1.339 2.186 -1.555 1.00 44.45 C ATOM 677 CG LEU A 43 -0.004 1.703 -2.141 1.00 62.21 C ATOM 678 CD1 LEU A 43 1.119 1.685 -1.099 1.00 75.20 C ATOM 679 CD2 LEU A 43 -0.139 0.297 -2.708 1.00 64.35 C ATOM 0 H LEU A 43 -0.834 4.287 0.165 1.00 23.13 H new ATOM 0 HA LEU A 43 -1.341 3.953 -2.735 1.00 24.44 H new ATOM 0 HB2 LEU A 43 -1.381 1.919 -0.499 1.00 44.45 H new ATOM 0 HB3 LEU A 43 -2.155 1.660 -2.050 1.00 44.45 H new ATOM 0 HG LEU A 43 0.253 2.412 -2.928 1.00 62.21 H new ATOM 0 HD11 LEU A 43 2.041 1.336 -1.564 1.00 75.20 H new ATOM 0 HD12 LEU A 43 1.268 2.691 -0.707 1.00 75.20 H new ATOM 0 HD13 LEU A 43 0.848 1.015 -0.283 1.00 75.20 H new ATOM 0 HD21 LEU A 43 0.819 -0.024 -3.117 1.00 64.35 H new ATOM 0 HD22 LEU A 43 -0.442 -0.387 -1.916 1.00 64.35 H new ATOM 0 HD23 LEU A 43 -0.890 0.294 -3.498 1.00 64.35 H new ATOM 691 N GLU A 44 -3.703 4.687 -2.285 1.00 72.54 N ATOM 692 CA GLU A 44 -5.096 5.071 -2.073 1.00 72.10 C ATOM 693 C GLU A 44 -5.977 3.929 -2.564 1.00 42.31 C ATOM 694 O GLU A 44 -5.612 3.251 -3.527 1.00 52.42 O ATOM 695 CB GLU A 44 -5.463 6.345 -2.842 1.00 31.23 C ATOM 696 CG GLU A 44 -4.501 7.504 -2.556 1.00 45.50 C ATOM 697 CD GLU A 44 -5.105 8.873 -2.864 1.00 25.23 C ATOM 698 OE1 GLU A 44 -5.841 9.016 -3.863 1.00 74.23 O ATOM 699 OE2 GLU A 44 -4.812 9.834 -2.113 1.00 53.30 O ATOM 0 H GLU A 44 -3.336 4.943 -3.201 1.00 72.54 H new ATOM 0 HA GLU A 44 -5.245 5.269 -1.012 1.00 72.10 H new ATOM 0 HB2 GLU A 44 -5.462 6.133 -3.911 1.00 31.23 H new ATOM 0 HB3 GLU A 44 -6.477 6.645 -2.577 1.00 31.23 H new ATOM 0 HG2 GLU A 44 -4.204 7.472 -1.508 1.00 45.50 H new ATOM 0 HG3 GLU A 44 -3.595 7.371 -3.148 1.00 45.50 H new ATOM 706 N PHE A 45 -7.158 3.776 -1.972 1.00 70.02 N ATOM 707 CA PHE A 45 -8.137 2.744 -2.284 1.00 24.22 C ATOM 708 C PHE A 45 -9.505 3.412 -2.315 1.00 15.22 C ATOM 709 O PHE A 45 -9.789 4.170 -1.393 1.00 25.02 O ATOM 710 CB PHE A 45 -8.097 1.699 -1.157 1.00 12.23 C ATOM 711 CG PHE A 45 -6.848 0.835 -1.108 1.00 32.44 C ATOM 712 CD1 PHE A 45 -5.605 1.338 -0.683 1.00 24.11 C ATOM 713 CD2 PHE A 45 -6.953 -0.525 -1.423 1.00 14.02 C ATOM 714 CE1 PHE A 45 -4.478 0.497 -0.641 1.00 14.32 C ATOM 715 CE2 PHE A 45 -5.829 -1.366 -1.397 1.00 41.50 C ATOM 716 CZ PHE A 45 -4.583 -0.856 -1.003 1.00 24.22 C ATOM 0 H PHE A 45 -7.471 4.398 -1.227 1.00 70.02 H new ATOM 0 HA PHE A 45 -7.931 2.262 -3.240 1.00 24.22 H new ATOM 0 HB2 PHE A 45 -8.197 2.216 -0.203 1.00 12.23 H new ATOM 0 HB3 PHE A 45 -8.965 1.047 -1.259 1.00 12.23 H new ATOM 0 HD1 PHE A 45 -5.516 2.373 -0.388 1.00 24.11 H new ATOM 0 HD2 PHE A 45 -7.916 -0.935 -1.691 1.00 14.02 H new ATOM 0 HE1 PHE A 45 -3.524 0.895 -0.328 1.00 14.32 H new ATOM 0 HE2 PHE A 45 -5.924 -2.404 -1.680 1.00 41.50 H new ATOM 0 HZ PHE A 45 -3.714 -1.497 -0.978 1.00 24.22 H new ATOM 726 N ASP A 46 -10.367 3.163 -3.305 1.00 42.20 N ATOM 727 CA ASP A 46 -11.698 3.791 -3.376 1.00 43.33 C ATOM 728 C ASP A 46 -12.768 2.899 -2.745 1.00 73.24 C ATOM 729 O ASP A 46 -13.052 1.813 -3.257 1.00 53.30 O ATOM 730 CB ASP A 46 -12.056 4.173 -4.815 1.00 25.34 C ATOM 731 CG ASP A 46 -13.409 4.873 -4.836 1.00 74.02 C ATOM 732 OD1 ASP A 46 -13.559 5.871 -4.094 1.00 12.42 O ATOM 733 OD2 ASP A 46 -14.312 4.373 -5.539 1.00 54.40 O ATOM 0 H ASP A 46 -10.168 2.526 -4.076 1.00 42.20 H new ATOM 0 HA ASP A 46 -11.661 4.713 -2.795 1.00 43.33 H new ATOM 0 HB2 ASP A 46 -11.290 4.828 -5.229 1.00 25.34 H new ATOM 0 HB3 ASP A 46 -12.086 3.282 -5.442 1.00 25.34 H new ATOM 738 N ALA A 47 -13.341 3.331 -1.617 1.00 51.43 N ATOM 739 CA ALA A 47 -14.371 2.614 -0.871 1.00 10.13 C ATOM 740 C ALA A 47 -15.656 2.498 -1.675 1.00 45.43 C ATOM 741 O ALA A 47 -16.436 1.571 -1.463 1.00 55.12 O ATOM 742 CB ALA A 47 -14.674 3.287 0.475 1.00 11.10 C ATOM 0 H ALA A 47 -13.089 4.221 -1.186 1.00 51.43 H new ATOM 0 HA ALA A 47 -13.977 1.616 -0.680 1.00 10.13 H new ATOM 0 HB1 ALA A 47 -15.445 2.722 0.999 1.00 11.10 H new ATOM 0 HB2 ALA A 47 -13.768 3.312 1.081 1.00 11.10 H new ATOM 0 HB3 ALA A 47 -15.024 4.305 0.302 1.00 11.10 H new ATOM 748 N ASP A 48 -15.900 3.442 -2.579 1.00 53.53 N ATOM 749 CA ASP A 48 -17.093 3.428 -3.406 1.00 70.13 C ATOM 750 C ASP A 48 -17.007 2.310 -4.447 1.00 32.12 C ATOM 751 O ASP A 48 -18.020 1.675 -4.737 1.00 71.04 O ATOM 752 CB ASP A 48 -17.280 4.810 -4.023 1.00 23.43 C ATOM 753 CG ASP A 48 -18.518 4.905 -4.890 1.00 22.42 C ATOM 754 OD1 ASP A 48 -18.446 4.581 -6.097 1.00 50.12 O ATOM 755 OD2 ASP A 48 -19.526 5.448 -4.382 1.00 3.13 O ATOM 0 H ASP A 48 -15.279 4.231 -2.755 1.00 53.53 H new ATOM 0 HA ASP A 48 -17.976 3.212 -2.804 1.00 70.13 H new ATOM 0 HB2 ASP A 48 -17.342 5.552 -3.227 1.00 23.43 H new ATOM 0 HB3 ASP A 48 -16.403 5.057 -4.622 1.00 23.43 H new ATOM 760 N LYS A 49 -15.806 1.984 -4.947 1.00 14.43 N ATOM 761 CA LYS A 49 -15.614 0.927 -5.940 1.00 21.43 C ATOM 762 C LYS A 49 -16.011 -0.461 -5.420 1.00 61.31 C ATOM 763 O LYS A 49 -16.264 -1.363 -6.222 1.00 72.44 O ATOM 764 CB LYS A 49 -14.146 0.942 -6.406 1.00 44.35 C ATOM 765 CG LYS A 49 -13.989 0.402 -7.834 1.00 1.35 C ATOM 766 CD LYS A 49 -12.548 0.566 -8.349 1.00 30.53 C ATOM 767 CE LYS A 49 -12.415 0.311 -9.856 1.00 53.13 C ATOM 768 NZ LYS A 49 -12.727 1.511 -10.663 1.00 53.50 N ATOM 0 H LYS A 49 -14.941 2.449 -4.671 1.00 14.43 H new ATOM 0 HA LYS A 49 -16.277 1.130 -6.781 1.00 21.43 H new ATOM 0 HB2 LYS A 49 -13.762 1.961 -6.360 1.00 44.35 H new ATOM 0 HB3 LYS A 49 -13.543 0.343 -5.724 1.00 44.35 H new ATOM 0 HG2 LYS A 49 -14.266 -0.652 -7.857 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -14.675 0.927 -8.499 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -12.201 1.575 -8.125 1.00 30.53 H new ATOM 0 HD3 LYS A 49 -11.896 -0.122 -7.811 1.00 30.53 H new ATOM 0 HE2 LYS A 49 -11.400 -0.018 -10.077 1.00 53.13 H new ATOM 0 HE3 LYS A 49 -13.083 -0.501 -10.144 1.00 53.13 H new ATOM 0 HZ1 LYS A 49 -12.623 1.287 -11.673 1.00 53.50 H new ATOM 0 HZ2 LYS A 49 -13.705 1.812 -10.474 1.00 53.50 H new ATOM 0 HZ3 LYS A 49 -12.073 2.279 -10.410 1.00 53.50 H new ATOM 782 N ASP A 50 -16.029 -0.684 -4.106 1.00 65.34 N ATOM 783 CA ASP A 50 -16.394 -1.966 -3.508 1.00 34.33 C ATOM 784 C ASP A 50 -16.806 -1.690 -2.068 1.00 52.13 C ATOM 785 O ASP A 50 -15.942 -1.519 -1.206 1.00 31.25 O ATOM 786 CB ASP A 50 -15.231 -2.977 -3.590 1.00 73.52 C ATOM 787 CG ASP A 50 -15.740 -4.386 -3.878 1.00 62.45 C ATOM 788 OD1 ASP A 50 -16.733 -4.815 -3.242 1.00 52.34 O ATOM 789 OD2 ASP A 50 -15.139 -5.024 -4.776 1.00 43.15 O ATOM 0 H ASP A 50 -15.787 0.030 -3.419 1.00 65.34 H new ATOM 0 HA ASP A 50 -17.221 -2.421 -4.053 1.00 34.33 H new ATOM 0 HB2 ASP A 50 -14.536 -2.672 -4.372 1.00 73.52 H new ATOM 0 HB3 ASP A 50 -14.676 -2.973 -2.652 1.00 73.52 H new ATOM 794 N ARG A 51 -18.115 -1.615 -1.810 1.00 72.43 N ATOM 795 CA ARG A 51 -18.662 -1.328 -0.483 1.00 74.11 C ATOM 796 C ARG A 51 -18.169 -2.309 0.575 1.00 11.43 C ATOM 797 O ARG A 51 -17.598 -1.902 1.585 1.00 33.44 O ATOM 798 CB ARG A 51 -20.206 -1.320 -0.541 1.00 15.45 C ATOM 799 CG ARG A 51 -20.811 -0.224 0.350 1.00 34.33 C ATOM 800 CD ARG A 51 -21.330 0.928 -0.519 1.00 4.33 C ATOM 801 NE ARG A 51 -21.555 2.158 0.242 1.00 35.12 N ATOM 802 CZ ARG A 51 -22.572 2.456 1.053 1.00 20.02 C ATOM 803 NH1 ARG A 51 -23.517 1.574 1.362 1.00 61.44 N ATOM 804 NH2 ARG A 51 -22.594 3.676 1.577 1.00 62.13 N ATOM 0 H ARG A 51 -18.830 -1.753 -2.524 1.00 72.43 H new ATOM 0 HA ARG A 51 -18.305 -0.342 -0.187 1.00 74.11 H new ATOM 0 HB2 ARG A 51 -20.529 -1.169 -1.571 1.00 15.45 H new ATOM 0 HB3 ARG A 51 -20.585 -2.292 -0.227 1.00 15.45 H new ATOM 0 HG2 ARG A 51 -21.625 -0.636 0.947 1.00 34.33 H new ATOM 0 HG3 ARG A 51 -20.060 0.145 1.048 1.00 34.33 H new ATOM 0 HD2 ARG A 51 -20.614 1.126 -1.317 1.00 4.33 H new ATOM 0 HD3 ARG A 51 -22.263 0.626 -0.995 1.00 4.33 H new ATOM 0 HE ARG A 51 -20.842 2.881 0.139 1.00 35.12 H new ATOM 0 HH11 ARG A 51 -23.480 0.631 0.975 1.00 61.44 H new ATOM 0 HH12 ARG A 51 -24.279 1.840 1.986 1.00 61.44 H new ATOM 0 HH21 ARG A 51 -21.853 4.340 1.354 1.00 62.13 H new ATOM 0 HH22 ARG A 51 -23.352 3.949 2.203 1.00 62.13 H new ATOM 818 N THR A 52 -18.345 -3.600 0.328 1.00 13.51 N ATOM 819 CA THR A 52 -17.939 -4.669 1.226 1.00 64.25 C ATOM 820 C THR A 52 -16.513 -5.139 0.911 1.00 3.41 C ATOM 821 O THR A 52 -15.833 -5.692 1.783 1.00 1.03 O ATOM 822 CB THR A 52 -18.958 -5.818 1.081 1.00 32.15 C ATOM 823 OG1 THR A 52 -19.458 -5.855 -0.246 1.00 44.01 O ATOM 824 CG2 THR A 52 -20.163 -5.617 2.004 1.00 72.25 C ATOM 0 H THR A 52 -18.786 -3.940 -0.526 1.00 13.51 H new ATOM 0 HA THR A 52 -17.927 -4.314 2.256 1.00 64.25 H new ATOM 0 HB THR A 52 -18.438 -6.740 1.340 1.00 32.15 H new ATOM 0 HG1 THR A 52 -20.103 -6.588 -0.332 1.00 44.01 H new ATOM 0 HG21 THR A 52 -20.861 -6.444 1.876 1.00 72.25 H new ATOM 0 HG22 THR A 52 -19.826 -5.583 3.040 1.00 72.25 H new ATOM 0 HG23 THR A 52 -20.661 -4.680 1.754 1.00 72.25 H new ATOM 832 N GLY A 53 -16.002 -4.858 -0.293 1.00 62.51 N ATOM 833 CA GLY A 53 -14.667 -5.273 -0.685 1.00 40.43 C ATOM 834 C GLY A 53 -13.568 -4.368 -0.153 1.00 23.44 C ATOM 835 O GLY A 53 -12.448 -4.861 -0.019 1.00 32.32 O ATOM 0 H GLY A 53 -16.505 -4.339 -1.013 1.00 62.51 H new ATOM 0 HA2 GLY A 53 -14.493 -6.289 -0.331 1.00 40.43 H new ATOM 0 HA3 GLY A 53 -14.609 -5.300 -1.773 1.00 40.43 H new ATOM 839 N ILE A 54 -13.840 -3.100 0.204 1.00 74.32 N ATOM 840 CA ILE A 54 -12.787 -2.221 0.724 1.00 34.01 C ATOM 841 C ILE A 54 -12.116 -2.865 1.933 1.00 42.25 C ATOM 842 O ILE A 54 -10.894 -2.841 2.048 1.00 24.41 O ATOM 843 CB ILE A 54 -13.278 -0.790 1.035 1.00 2.35 C ATOM 844 CG1 ILE A 54 -12.109 0.129 1.452 1.00 70.33 C ATOM 845 CG2 ILE A 54 -14.372 -0.726 2.106 1.00 32.31 C ATOM 846 CD1 ILE A 54 -10.951 0.196 0.449 1.00 21.21 C ATOM 0 H ILE A 54 -14.763 -2.671 0.142 1.00 74.32 H new ATOM 0 HA ILE A 54 -12.048 -2.103 -0.069 1.00 34.01 H new ATOM 0 HB ILE A 54 -13.717 -0.438 0.102 1.00 2.35 H new ATOM 0 HG12 ILE A 54 -12.495 1.136 1.607 1.00 70.33 H new ATOM 0 HG13 ILE A 54 -11.721 -0.214 2.411 1.00 70.33 H new ATOM 0 HG21 ILE A 54 -14.663 0.312 2.267 1.00 32.31 H new ATOM 0 HG22 ILE A 54 -15.239 -1.299 1.776 1.00 32.31 H new ATOM 0 HG23 ILE A 54 -13.994 -1.146 3.038 1.00 32.31 H new ATOM 0 HD11 ILE A 54 -10.179 0.865 0.829 1.00 21.21 H new ATOM 0 HD12 ILE A 54 -10.532 -0.800 0.310 1.00 21.21 H new ATOM 0 HD13 ILE A 54 -11.318 0.571 -0.506 1.00 21.21 H new ATOM 858 N GLN A 55 -12.925 -3.487 2.791 1.00 14.02 N ATOM 859 CA GLN A 55 -12.489 -4.176 3.983 1.00 23.23 C ATOM 860 C GLN A 55 -11.414 -5.186 3.569 1.00 51.45 C ATOM 861 O GLN A 55 -10.283 -5.104 4.038 1.00 54.40 O ATOM 862 CB GLN A 55 -13.742 -4.780 4.637 1.00 32.35 C ATOM 863 CG GLN A 55 -13.477 -5.606 5.897 1.00 62.31 C ATOM 864 CD GLN A 55 -12.984 -6.999 5.550 1.00 50.33 C ATOM 865 OE1 GLN A 55 -13.768 -7.840 5.106 1.00 5.44 O ATOM 866 NE2 GLN A 55 -11.697 -7.246 5.653 1.00 64.55 N ATOM 0 H GLN A 55 -13.936 -3.520 2.661 1.00 14.02 H new ATOM 0 HA GLN A 55 -12.025 -3.534 4.731 1.00 23.23 H new ATOM 0 HB2 GLN A 55 -14.428 -3.971 4.888 1.00 32.35 H new ATOM 0 HB3 GLN A 55 -14.247 -5.411 3.906 1.00 32.35 H new ATOM 0 HG2 GLN A 55 -12.737 -5.100 6.517 1.00 62.31 H new ATOM 0 HG3 GLN A 55 -14.391 -5.678 6.486 1.00 62.31 H new ATOM 0 HE21 GLN A 55 -11.069 -6.533 6.024 1.00 64.55 H new ATOM 0 HE22 GLN A 55 -11.326 -8.151 5.362 1.00 64.55 H new ATOM 875 N ARG A 56 -11.745 -6.119 2.667 1.00 41.11 N ATOM 876 CA ARG A 56 -10.820 -7.137 2.173 1.00 43.45 C ATOM 877 C ARG A 56 -9.571 -6.501 1.581 1.00 54.23 C ATOM 878 O ARG A 56 -8.468 -6.926 1.917 1.00 11.55 O ATOM 879 CB ARG A 56 -11.513 -8.054 1.141 1.00 60.40 C ATOM 880 CG ARG A 56 -11.437 -9.525 1.562 1.00 34.51 C ATOM 881 CD ARG A 56 -12.322 -9.772 2.787 1.00 2.53 C ATOM 882 NE ARG A 56 -12.178 -11.142 3.284 1.00 2.42 N ATOM 883 CZ ARG A 56 -13.105 -11.827 3.960 1.00 5.05 C ATOM 884 NH1 ARG A 56 -14.291 -11.290 4.245 1.00 62.11 N ATOM 885 NH2 ARG A 56 -12.841 -13.068 4.340 1.00 63.33 N ATOM 0 H ARG A 56 -12.676 -6.185 2.257 1.00 41.11 H new ATOM 0 HA ARG A 56 -10.513 -7.751 3.020 1.00 43.45 H new ATOM 0 HB2 ARG A 56 -12.556 -7.758 1.032 1.00 60.40 H new ATOM 0 HB3 ARG A 56 -11.042 -7.928 0.166 1.00 60.40 H new ATOM 0 HG2 ARG A 56 -11.757 -10.163 0.739 1.00 34.51 H new ATOM 0 HG3 ARG A 56 -10.405 -9.793 1.790 1.00 34.51 H new ATOM 0 HD2 ARG A 56 -12.058 -9.068 3.576 1.00 2.53 H new ATOM 0 HD3 ARG A 56 -13.364 -9.585 2.528 1.00 2.53 H new ATOM 0 HE ARG A 56 -11.293 -11.614 3.098 1.00 2.42 H new ATOM 0 HH11 ARG A 56 -14.505 -10.339 3.946 1.00 62.11 H new ATOM 0 HH12 ARG A 56 -14.984 -11.830 4.762 1.00 62.11 H new ATOM 0 HH21 ARG A 56 -11.939 -13.489 4.116 1.00 63.33 H new ATOM 0 HH22 ARG A 56 -13.539 -13.603 4.857 1.00 63.33 H new ATOM 899 N ARG A 57 -9.731 -5.498 0.713 1.00 70.21 N ATOM 900 CA ARG A 57 -8.614 -4.803 0.080 1.00 25.52 C ATOM 901 C ARG A 57 -7.656 -4.287 1.172 1.00 55.03 C ATOM 902 O ARG A 57 -6.440 -4.405 1.006 1.00 74.31 O ATOM 903 CB ARG A 57 -9.145 -3.704 -0.863 1.00 74.22 C ATOM 904 CG ARG A 57 -9.982 -4.198 -2.075 1.00 52.11 C ATOM 905 CD ARG A 57 -10.989 -3.140 -2.590 1.00 14.35 C ATOM 906 NE ARG A 57 -10.972 -2.967 -4.061 1.00 34.43 N ATOM 907 CZ ARG A 57 -10.956 -1.771 -4.678 1.00 74.32 C ATOM 908 NH1 ARG A 57 -11.348 -0.664 -4.064 1.00 43.14 N ATOM 909 NH2 ARG A 57 -10.543 -1.634 -5.929 1.00 63.54 N ATOM 0 H ARG A 57 -10.646 -5.146 0.430 1.00 70.21 H new ATOM 0 HA ARG A 57 -8.036 -5.480 -0.549 1.00 25.52 H new ATOM 0 HB2 ARG A 57 -9.757 -3.016 -0.280 1.00 74.22 H new ATOM 0 HB3 ARG A 57 -8.296 -3.134 -1.240 1.00 74.22 H new ATOM 0 HG2 ARG A 57 -9.308 -4.474 -2.886 1.00 52.11 H new ATOM 0 HG3 ARG A 57 -10.525 -5.099 -1.791 1.00 52.11 H new ATOM 0 HD2 ARG A 57 -11.994 -3.426 -2.278 1.00 14.35 H new ATOM 0 HD3 ARG A 57 -10.769 -2.182 -2.118 1.00 14.35 H new ATOM 0 HE ARG A 57 -10.972 -3.805 -4.642 1.00 34.43 H new ATOM 0 HH11 ARG A 57 -11.673 -0.704 -3.098 1.00 43.14 H new ATOM 0 HH12 ARG A 57 -11.325 0.228 -4.557 1.00 43.14 H new ATOM 0 HH21 ARG A 57 -10.225 -2.449 -6.453 1.00 63.54 H new ATOM 0 HH22 ARG A 57 -10.543 -0.713 -6.368 1.00 63.54 H new ATOM 923 N MET A 58 -8.172 -3.752 2.286 1.00 3.23 N ATOM 924 CA MET A 58 -7.376 -3.256 3.408 1.00 11.30 C ATOM 925 C MET A 58 -6.752 -4.412 4.177 1.00 75.42 C ATOM 926 O MET A 58 -5.573 -4.351 4.484 1.00 53.02 O ATOM 927 CB MET A 58 -8.221 -2.406 4.377 1.00 60.32 C ATOM 928 CG MET A 58 -7.960 -0.914 4.183 1.00 74.32 C ATOM 929 SD MET A 58 -8.670 0.131 5.478 1.00 3.13 S ATOM 930 CE MET A 58 -10.340 0.275 4.815 1.00 53.13 C ATOM 0 H MET A 58 -9.176 -3.651 2.432 1.00 3.23 H new ATOM 0 HA MET A 58 -6.592 -2.627 2.987 1.00 11.30 H new ATOM 0 HB2 MET A 58 -9.279 -2.615 4.219 1.00 60.32 H new ATOM 0 HB3 MET A 58 -7.991 -2.686 5.405 1.00 60.32 H new ATOM 0 HG2 MET A 58 -6.884 -0.746 4.144 1.00 74.32 H new ATOM 0 HG3 MET A 58 -8.366 -0.607 3.219 1.00 74.32 H new ATOM 0 HE1 MET A 58 -10.988 0.737 5.559 1.00 53.13 H new ATOM 0 HE2 MET A 58 -10.323 0.891 3.916 1.00 53.13 H new ATOM 0 HE3 MET A 58 -10.720 -0.716 4.568 1.00 53.13 H new ATOM 940 N ASP A 59 -7.496 -5.477 4.463 1.00 75.20 N ATOM 941 CA ASP A 59 -7.047 -6.668 5.198 1.00 42.30 C ATOM 942 C ASP A 59 -5.810 -7.266 4.543 1.00 55.33 C ATOM 943 O ASP A 59 -4.808 -7.560 5.194 1.00 75.54 O ATOM 944 CB ASP A 59 -8.155 -7.724 5.166 1.00 12.14 C ATOM 945 CG ASP A 59 -8.477 -8.327 6.533 1.00 70.13 C ATOM 946 OD1 ASP A 59 -9.238 -7.709 7.309 1.00 0.40 O ATOM 947 OD2 ASP A 59 -8.052 -9.476 6.794 1.00 74.24 O ATOM 0 H ASP A 59 -8.473 -5.542 4.178 1.00 75.20 H new ATOM 0 HA ASP A 59 -6.814 -6.375 6.222 1.00 42.30 H new ATOM 0 HB2 ASP A 59 -9.060 -7.275 4.756 1.00 12.14 H new ATOM 0 HB3 ASP A 59 -7.861 -8.524 4.487 1.00 12.14 H new ATOM 952 N ILE A 60 -5.904 -7.438 3.223 1.00 3.02 N ATOM 953 CA ILE A 60 -4.874 -7.992 2.367 1.00 74.11 C ATOM 954 C ILE A 60 -3.671 -7.054 2.375 1.00 30.44 C ATOM 955 O ILE A 60 -2.536 -7.536 2.377 1.00 65.30 O ATOM 956 CB ILE A 60 -5.479 -8.237 0.967 1.00 40.05 C ATOM 957 CG1 ILE A 60 -6.546 -9.361 1.046 1.00 74.32 C ATOM 958 CG2 ILE A 60 -4.393 -8.631 -0.042 1.00 71.24 C ATOM 959 CD1 ILE A 60 -7.547 -9.334 -0.112 1.00 61.12 C ATOM 0 H ILE A 60 -6.744 -7.180 2.705 1.00 3.02 H new ATOM 0 HA ILE A 60 -4.513 -8.957 2.724 1.00 74.11 H new ATOM 0 HB ILE A 60 -5.943 -7.310 0.630 1.00 40.05 H new ATOM 0 HG12 ILE A 60 -6.043 -10.328 1.059 1.00 74.32 H new ATOM 0 HG13 ILE A 60 -7.088 -9.271 1.987 1.00 74.32 H new ATOM 0 HG21 ILE A 60 -4.847 -8.797 -1.019 1.00 71.24 H new ATOM 0 HG22 ILE A 60 -3.657 -7.830 -0.116 1.00 71.24 H new ATOM 0 HG23 ILE A 60 -3.902 -9.546 0.290 1.00 71.24 H new ATOM 0 HD11 ILE A 60 -8.263 -10.147 0.007 1.00 61.12 H new ATOM 0 HD12 ILE A 60 -8.076 -8.381 -0.113 1.00 61.12 H new ATOM 0 HD13 ILE A 60 -7.015 -9.455 -1.056 1.00 61.12 H new ATOM 971 N ALA A 61 -3.897 -5.738 2.357 1.00 31.35 N ATOM 972 CA ALA A 61 -2.821 -4.767 2.387 1.00 11.14 C ATOM 973 C ALA A 61 -2.159 -4.776 3.771 1.00 1.22 C ATOM 974 O ALA A 61 -0.933 -4.695 3.844 1.00 15.13 O ATOM 975 CB ALA A 61 -3.347 -3.375 2.026 1.00 12.45 C ATOM 0 H ALA A 61 -4.829 -5.326 2.321 1.00 31.35 H new ATOM 0 HA ALA A 61 -2.069 -5.035 1.645 1.00 11.14 H new ATOM 0 HB1 ALA A 61 -2.527 -2.658 2.053 1.00 12.45 H new ATOM 0 HB2 ALA A 61 -3.777 -3.397 1.025 1.00 12.45 H new ATOM 0 HB3 ALA A 61 -4.112 -3.078 2.743 1.00 12.45 H new ATOM 981 N LEU A 62 -2.931 -4.918 4.860 1.00 43.44 N ATOM 982 CA LEU A 62 -2.391 -4.929 6.224 1.00 31.31 C ATOM 983 C LEU A 62 -1.503 -6.151 6.437 1.00 73.13 C ATOM 984 O LEU A 62 -0.495 -6.105 7.150 1.00 42.15 O ATOM 985 CB LEU A 62 -3.541 -4.885 7.246 1.00 54.22 C ATOM 986 CG LEU A 62 -4.008 -3.445 7.537 1.00 15.03 C ATOM 987 CD1 LEU A 62 -5.382 -3.448 8.218 1.00 63.41 C ATOM 988 CD2 LEU A 62 -2.998 -2.719 8.440 1.00 22.10 C ATOM 0 H LEU A 62 -3.944 -5.028 4.818 1.00 43.44 H new ATOM 0 HA LEU A 62 -1.773 -4.043 6.370 1.00 31.31 H new ATOM 0 HB2 LEU A 62 -4.381 -5.468 6.870 1.00 54.22 H new ATOM 0 HB3 LEU A 62 -3.217 -5.355 8.175 1.00 54.22 H new ATOM 0 HG LEU A 62 -4.080 -2.921 6.584 1.00 15.03 H new ATOM 0 HD11 LEU A 62 -5.693 -2.422 8.415 1.00 63.41 H new ATOM 0 HD12 LEU A 62 -6.110 -3.929 7.565 1.00 63.41 H new ATOM 0 HD13 LEU A 62 -5.321 -3.995 9.159 1.00 63.41 H new ATOM 0 HD21 LEU A 62 -3.346 -1.704 8.633 1.00 22.10 H new ATOM 0 HD22 LEU A 62 -2.902 -3.256 9.384 1.00 22.10 H new ATOM 0 HD23 LEU A 62 -2.028 -2.681 7.944 1.00 22.10 H new ATOM 1000 N LEU A 63 -1.830 -7.250 5.759 1.00 43.53 N ATOM 1001 CA LEU A 63 -1.069 -8.484 5.837 1.00 25.33 C ATOM 1002 C LEU A 63 0.310 -8.353 5.182 1.00 44.11 C ATOM 1003 O LEU A 63 1.098 -9.297 5.252 1.00 41.55 O ATOM 1004 CB LEU A 63 -1.898 -9.631 5.237 1.00 25.31 C ATOM 1005 CG LEU A 63 -2.980 -10.132 6.212 1.00 63.13 C ATOM 1006 CD1 LEU A 63 -4.066 -10.873 5.427 1.00 31.35 C ATOM 1007 CD2 LEU A 63 -2.367 -11.055 7.272 1.00 43.00 C ATOM 0 H LEU A 63 -2.637 -7.304 5.137 1.00 43.53 H new ATOM 0 HA LEU A 63 -0.872 -8.712 6.885 1.00 25.33 H new ATOM 0 HB2 LEU A 63 -2.370 -9.293 4.314 1.00 25.31 H new ATOM 0 HB3 LEU A 63 -1.237 -10.457 4.973 1.00 25.31 H new ATOM 0 HG LEU A 63 -3.422 -9.277 6.723 1.00 63.13 H new ATOM 0 HD11 LEU A 63 -4.833 -11.229 6.115 1.00 31.35 H new ATOM 0 HD12 LEU A 63 -4.516 -10.196 4.700 1.00 31.35 H new ATOM 0 HD13 LEU A 63 -3.623 -11.722 4.906 1.00 31.35 H new ATOM 0 HD21 LEU A 63 -3.148 -11.398 7.951 1.00 43.00 H new ATOM 0 HD22 LEU A 63 -1.907 -11.914 6.784 1.00 43.00 H new ATOM 0 HD23 LEU A 63 -1.610 -10.510 7.836 1.00 43.00 H new ATOM 1019 N GLN A 64 0.621 -7.219 4.543 1.00 5.45 N ATOM 1020 CA GLN A 64 1.916 -6.984 3.921 1.00 34.33 C ATOM 1021 C GLN A 64 2.890 -6.343 4.930 1.00 54.54 C ATOM 1022 O GLN A 64 4.022 -6.049 4.554 1.00 2.14 O ATOM 1023 CB GLN A 64 1.785 -6.121 2.652 1.00 12.42 C ATOM 1024 CG GLN A 64 0.732 -6.585 1.636 1.00 4.33 C ATOM 1025 CD GLN A 64 0.869 -8.057 1.270 1.00 62.34 C ATOM 1026 OE1 GLN A 64 1.946 -8.530 0.925 1.00 5.30 O ATOM 1027 NE2 GLN A 64 -0.220 -8.806 1.328 1.00 53.41 N ATOM 0 H GLN A 64 -0.028 -6.438 4.446 1.00 5.45 H new ATOM 0 HA GLN A 64 2.322 -7.948 3.616 1.00 34.33 H new ATOM 0 HB2 GLN A 64 1.548 -5.100 2.952 1.00 12.42 H new ATOM 0 HB3 GLN A 64 2.754 -6.090 2.154 1.00 12.42 H new ATOM 0 HG2 GLN A 64 -0.263 -6.409 2.045 1.00 4.33 H new ATOM 0 HG3 GLN A 64 0.816 -5.982 0.732 1.00 4.33 H new ATOM 0 HE21 GLN A 64 -1.107 -8.394 1.617 1.00 53.41 H new ATOM 0 HE22 GLN A 64 -0.172 -9.795 1.083 1.00 53.41 H new ATOM 1036 N HIS A 65 2.486 -6.071 6.177 1.00 2.00 N ATOM 1037 CA HIS A 65 3.298 -5.479 7.230 1.00 42.54 C ATOM 1038 C HIS A 65 4.424 -6.416 7.642 1.00 14.12 C ATOM 1039 O HIS A 65 4.163 -7.471 8.220 1.00 64.00 O ATOM 1040 CB HIS A 65 2.449 -5.154 8.459 1.00 1.33 C ATOM 1041 CG HIS A 65 3.243 -4.474 9.549 1.00 34.13 C ATOM 1042 ND1 HIS A 65 4.224 -3.504 9.350 1.00 64.22 N ATOM 1043 CD2 HIS A 65 3.110 -4.700 10.887 1.00 43.34 C ATOM 1044 CE1 HIS A 65 4.624 -3.133 10.576 1.00 73.31 C ATOM 1045 NE2 HIS A 65 3.975 -3.837 11.516 1.00 5.12 N ATOM 0 H HIS A 65 1.535 -6.271 6.487 1.00 2.00 H new ATOM 0 HA HIS A 65 3.723 -4.558 6.831 1.00 42.54 H new ATOM 0 HB2 HIS A 65 1.620 -4.511 8.164 1.00 1.33 H new ATOM 0 HB3 HIS A 65 2.015 -6.074 8.850 1.00 1.33 H new ATOM 0 HD2 HIS A 65 2.454 -5.416 11.359 1.00 43.34 H new ATOM 0 HE1 HIS A 65 5.365 -2.374 10.778 1.00 73.31 H new ATOM 0 HE2 HIS A 65 4.102 -3.747 12.524 1.00 5.12 H new ATOM 1053 N GLY A 66 5.665 -6.027 7.365 1.00 64.14 N ATOM 1054 CA GLY A 66 6.844 -6.806 7.730 1.00 41.43 C ATOM 1055 C GLY A 66 7.314 -7.763 6.652 1.00 51.42 C ATOM 1056 O GLY A 66 8.250 -8.519 6.919 1.00 11.33 O ATOM 0 H GLY A 66 5.882 -5.157 6.878 1.00 64.14 H new ATOM 0 HA2 GLY A 66 7.657 -6.122 7.973 1.00 41.43 H new ATOM 0 HA3 GLY A 66 6.625 -7.374 8.634 1.00 41.43 H new ATOM 1060 N THR A 67 6.690 -7.786 5.475 1.00 33.55 N ATOM 1061 CA THR A 67 7.128 -8.680 4.418 1.00 11.11 C ATOM 1062 C THR A 67 8.508 -8.231 3.950 1.00 44.33 C ATOM 1063 O THR A 67 8.707 -7.035 3.726 1.00 60.14 O ATOM 1064 CB THR A 67 6.134 -8.661 3.249 1.00 22.22 C ATOM 1065 OG1 THR A 67 5.901 -7.327 2.832 1.00 40.24 O ATOM 1066 CG2 THR A 67 4.795 -9.303 3.627 1.00 61.01 C ATOM 0 H THR A 67 5.889 -7.201 5.236 1.00 33.55 H new ATOM 0 HA THR A 67 7.177 -9.701 4.795 1.00 11.11 H new ATOM 0 HB THR A 67 6.577 -9.240 2.439 1.00 22.22 H new ATOM 0 HG1 THR A 67 5.217 -6.920 3.404 1.00 40.24 H new ATOM 0 HG21 THR A 67 4.121 -9.269 2.771 1.00 61.01 H new ATOM 0 HG22 THR A 67 4.958 -10.340 3.919 1.00 61.01 H new ATOM 0 HG23 THR A 67 4.352 -8.757 4.460 1.00 61.01 H new ATOM 1074 N LEU A 68 9.450 -9.155 3.794 1.00 22.32 N ATOM 1075 CA LEU A 68 10.786 -8.837 3.319 1.00 13.33 C ATOM 1076 C LEU A 68 10.650 -8.619 1.820 1.00 4.33 C ATOM 1077 O LEU A 68 10.385 -9.559 1.070 1.00 52.24 O ATOM 1078 CB LEU A 68 11.776 -9.976 3.597 1.00 43.23 C ATOM 1079 CG LEU A 68 12.074 -10.225 5.083 1.00 71.32 C ATOM 1080 CD1 LEU A 68 13.232 -11.198 5.251 1.00 21.52 C ATOM 1081 CD2 LEU A 68 12.484 -8.949 5.809 1.00 52.54 C ATOM 0 H LEU A 68 9.306 -10.145 3.994 1.00 22.32 H new ATOM 0 HA LEU A 68 11.177 -7.958 3.832 1.00 13.33 H new ATOM 0 HB2 LEU A 68 11.382 -10.894 3.161 1.00 43.23 H new ATOM 0 HB3 LEU A 68 12.713 -9.757 3.085 1.00 43.23 H new ATOM 0 HG LEU A 68 11.150 -10.623 5.504 1.00 71.32 H new ATOM 0 HD11 LEU A 68 13.423 -11.357 6.312 1.00 21.52 H new ATOM 0 HD12 LEU A 68 12.980 -12.149 4.781 1.00 21.52 H new ATOM 0 HD13 LEU A 68 14.125 -10.786 4.780 1.00 21.52 H new ATOM 0 HD21 LEU A 68 12.685 -9.175 6.856 1.00 52.54 H new ATOM 0 HD22 LEU A 68 13.383 -8.541 5.347 1.00 52.54 H new ATOM 0 HD23 LEU A 68 11.678 -8.218 5.743 1.00 52.54 H new ATOM 1093 N LEU A 69 10.766 -7.360 1.409 1.00 1.14 N ATOM 1094 CA LEU A 69 10.673 -6.926 0.028 1.00 24.40 C ATOM 1095 C LEU A 69 12.028 -6.361 -0.342 1.00 65.11 C ATOM 1096 O LEU A 69 12.475 -5.387 0.261 1.00 52.03 O ATOM 1097 CB LEU A 69 9.564 -5.871 -0.157 1.00 70.32 C ATOM 1098 CG LEU A 69 9.517 -5.284 -1.588 1.00 41.53 C ATOM 1099 CD1 LEU A 69 9.194 -6.345 -2.646 1.00 52.33 C ATOM 1100 CD2 LEU A 69 8.485 -4.157 -1.687 1.00 14.42 C ATOM 0 H LEU A 69 10.933 -6.589 2.056 1.00 1.14 H new ATOM 0 HA LEU A 69 10.409 -7.762 -0.620 1.00 24.40 H new ATOM 0 HB2 LEU A 69 8.599 -6.322 0.076 1.00 70.32 H new ATOM 0 HB3 LEU A 69 9.718 -5.061 0.556 1.00 70.32 H new ATOM 0 HG LEU A 69 10.515 -4.892 -1.786 1.00 41.53 H new ATOM 0 HD11 LEU A 69 9.173 -5.881 -3.632 1.00 52.33 H new ATOM 0 HD12 LEU A 69 9.958 -7.122 -2.627 1.00 52.33 H new ATOM 0 HD13 LEU A 69 8.221 -6.787 -2.432 1.00 52.33 H new ATOM 0 HD21 LEU A 69 8.473 -3.763 -2.703 1.00 14.42 H new ATOM 0 HD22 LEU A 69 7.498 -4.545 -1.437 1.00 14.42 H new ATOM 0 HD23 LEU A 69 8.749 -3.360 -0.992 1.00 14.42 H new ATOM 1112 N LYS A 70 12.665 -6.961 -1.344 1.00 31.13 N ATOM 1113 CA LYS A 70 13.962 -6.576 -1.878 1.00 53.14 C ATOM 1114 C LYS A 70 15.008 -6.387 -0.783 1.00 23.24 C ATOM 1115 O LYS A 70 15.700 -5.369 -0.724 1.00 50.22 O ATOM 1116 CB LYS A 70 13.787 -5.365 -2.798 1.00 15.11 C ATOM 1117 CG LYS A 70 12.767 -5.595 -3.923 1.00 25.21 C ATOM 1118 CD LYS A 70 12.160 -4.275 -4.395 1.00 54.01 C ATOM 1119 CE LYS A 70 13.089 -3.407 -5.246 1.00 30.01 C ATOM 1120 NZ LYS A 70 13.608 -4.108 -6.441 1.00 63.40 N ATOM 0 H LYS A 70 12.269 -7.768 -1.827 1.00 31.13 H new ATOM 0 HA LYS A 70 14.363 -7.389 -2.483 1.00 53.14 H new ATOM 0 HB2 LYS A 70 13.472 -4.508 -2.202 1.00 15.11 H new ATOM 0 HB3 LYS A 70 14.751 -5.110 -3.238 1.00 15.11 H new ATOM 0 HG2 LYS A 70 13.252 -6.096 -4.761 1.00 25.21 H new ATOM 0 HG3 LYS A 70 11.976 -6.257 -3.571 1.00 25.21 H new ATOM 0 HD2 LYS A 70 11.260 -4.491 -4.971 1.00 54.01 H new ATOM 0 HD3 LYS A 70 11.850 -3.702 -3.522 1.00 54.01 H new ATOM 0 HE2 LYS A 70 12.552 -2.513 -5.562 1.00 30.01 H new ATOM 0 HE3 LYS A 70 13.928 -3.076 -4.634 1.00 30.01 H new ATOM 0 HZ1 LYS A 70 13.508 -3.494 -7.274 1.00 63.40 H new ATOM 0 HZ2 LYS A 70 14.612 -4.339 -6.299 1.00 63.40 H new ATOM 0 HZ3 LYS A 70 13.069 -4.985 -6.590 1.00 63.40 H new ATOM 1134 N GLU A 71 15.103 -7.397 0.079 1.00 51.35 N ATOM 1135 CA GLU A 71 16.032 -7.517 1.197 1.00 60.42 C ATOM 1136 C GLU A 71 15.823 -6.456 2.285 1.00 70.22 C ATOM 1137 O GLU A 71 16.741 -6.148 3.054 1.00 23.40 O ATOM 1138 CB GLU A 71 17.481 -7.616 0.662 1.00 30.14 C ATOM 1139 CG GLU A 71 17.562 -8.551 -0.562 1.00 65.15 C ATOM 1140 CD GLU A 71 18.948 -9.116 -0.832 1.00 50.44 C ATOM 1141 OE1 GLU A 71 19.380 -9.950 -0.006 1.00 42.21 O ATOM 1142 OE2 GLU A 71 19.506 -8.849 -1.921 1.00 22.41 O ATOM 0 H GLU A 71 14.490 -8.209 0.008 1.00 51.35 H new ATOM 0 HA GLU A 71 15.819 -8.447 1.725 1.00 60.42 H new ATOM 0 HB2 GLU A 71 17.839 -6.623 0.389 1.00 30.14 H new ATOM 0 HB3 GLU A 71 18.138 -7.986 1.449 1.00 30.14 H new ATOM 0 HG2 GLU A 71 16.868 -9.379 -0.418 1.00 65.15 H new ATOM 0 HG3 GLU A 71 17.228 -8.004 -1.444 1.00 65.15 H new ATOM 1149 N LYS A 72 14.609 -5.908 2.397 1.00 74.25 N ATOM 1150 CA LYS A 72 14.250 -4.880 3.368 1.00 24.44 C ATOM 1151 C LYS A 72 12.961 -5.243 4.079 1.00 15.51 C ATOM 1152 O LYS A 72 11.957 -5.541 3.434 1.00 63.35 O ATOM 1153 CB LYS A 72 14.111 -3.516 2.666 1.00 25.44 C ATOM 1154 CG LYS A 72 15.463 -2.884 2.294 1.00 3.53 C ATOM 1155 CD LYS A 72 16.157 -2.215 3.488 1.00 54.31 C ATOM 1156 CE LYS A 72 15.563 -0.821 3.729 1.00 50.13 C ATOM 1157 NZ LYS A 72 15.701 -0.372 5.129 1.00 71.01 N ATOM 0 H LYS A 72 13.830 -6.178 1.796 1.00 74.25 H new ATOM 0 HA LYS A 72 15.043 -4.813 4.113 1.00 24.44 H new ATOM 0 HB2 LYS A 72 13.514 -3.639 1.762 1.00 25.44 H new ATOM 0 HB3 LYS A 72 13.565 -2.833 3.318 1.00 25.44 H new ATOM 0 HG2 LYS A 72 16.117 -3.653 1.884 1.00 3.53 H new ATOM 0 HG3 LYS A 72 15.309 -2.144 1.508 1.00 3.53 H new ATOM 0 HD2 LYS A 72 16.036 -2.830 4.380 1.00 54.31 H new ATOM 0 HD3 LYS A 72 17.227 -2.135 3.299 1.00 54.31 H new ATOM 0 HE2 LYS A 72 16.055 -0.103 3.072 1.00 50.13 H new ATOM 0 HE3 LYS A 72 14.507 -0.830 3.458 1.00 50.13 H new ATOM 0 HZ1 LYS A 72 15.283 0.575 5.233 1.00 71.01 H new ATOM 0 HZ2 LYS A 72 15.209 -1.039 5.758 1.00 71.01 H new ATOM 0 HZ3 LYS A 72 16.709 -0.335 5.384 1.00 71.01 H new ATOM 1171 N LYS A 73 12.994 -5.294 5.413 1.00 73.20 N ATOM 1172 CA LYS A 73 11.800 -5.573 6.206 1.00 55.53 C ATOM 1173 C LYS A 73 11.112 -4.217 6.215 1.00 3.32 C ATOM 1174 O LYS A 73 11.611 -3.265 6.825 1.00 32.42 O ATOM 1175 CB LYS A 73 12.147 -6.017 7.638 1.00 62.34 C ATOM 1176 CG LYS A 73 10.923 -6.422 8.481 1.00 41.33 C ATOM 1177 CD LYS A 73 10.846 -7.929 8.788 1.00 14.12 C ATOM 1178 CE LYS A 73 9.627 -8.258 9.659 1.00 50.21 C ATOM 1179 NZ LYS A 73 9.734 -7.755 11.043 1.00 33.31 N ATOM 0 H LYS A 73 13.838 -5.145 5.965 1.00 73.20 H new ATOM 0 HA LYS A 73 11.196 -6.386 5.803 1.00 55.53 H new ATOM 0 HB2 LYS A 73 12.837 -6.859 7.589 1.00 62.34 H new ATOM 0 HB3 LYS A 73 12.671 -5.205 8.143 1.00 62.34 H new ATOM 0 HG2 LYS A 73 10.943 -5.871 9.421 1.00 41.33 H new ATOM 0 HG3 LYS A 73 10.017 -6.122 7.955 1.00 41.33 H new ATOM 0 HD2 LYS A 73 10.791 -8.490 7.855 1.00 14.12 H new ATOM 0 HD3 LYS A 73 11.756 -8.246 9.298 1.00 14.12 H new ATOM 0 HE2 LYS A 73 8.736 -7.835 9.196 1.00 50.21 H new ATOM 0 HE3 LYS A 73 9.491 -9.339 9.684 1.00 50.21 H new ATOM 0 HZ1 LYS A 73 8.901 -8.056 11.587 1.00 33.31 H new ATOM 0 HZ2 LYS A 73 10.594 -8.138 11.486 1.00 33.31 H new ATOM 0 HZ3 LYS A 73 9.783 -6.716 11.032 1.00 33.31 H new ATOM 1193 N ILE A 74 10.047 -4.100 5.449 1.00 74.42 N ATOM 1194 CA ILE A 74 9.264 -2.883 5.327 1.00 1.35 C ATOM 1195 C ILE A 74 8.075 -2.965 6.292 1.00 75.34 C ATOM 1196 O ILE A 74 7.860 -4.005 6.921 1.00 52.10 O ATOM 1197 CB ILE A 74 8.899 -2.640 3.850 1.00 3.35 C ATOM 1198 CG1 ILE A 74 8.047 -3.779 3.269 1.00 54.15 C ATOM 1199 CG2 ILE A 74 10.169 -2.468 2.997 1.00 71.12 C ATOM 1200 CD1 ILE A 74 7.444 -3.479 1.900 1.00 50.34 C ATOM 0 H ILE A 74 9.691 -4.867 4.879 1.00 74.42 H new ATOM 0 HA ILE A 74 9.833 -2.001 5.622 1.00 1.35 H new ATOM 0 HB ILE A 74 8.309 -1.724 3.819 1.00 3.35 H new ATOM 0 HG12 ILE A 74 8.663 -4.675 3.193 1.00 54.15 H new ATOM 0 HG13 ILE A 74 7.240 -4.005 3.966 1.00 54.15 H new ATOM 0 HG21 ILE A 74 9.889 -2.298 1.958 1.00 71.12 H new ATOM 0 HG22 ILE A 74 10.741 -1.615 3.363 1.00 71.12 H new ATOM 0 HG23 ILE A 74 10.778 -3.369 3.065 1.00 71.12 H new ATOM 0 HD11 ILE A 74 6.859 -4.335 1.565 1.00 50.34 H new ATOM 0 HD12 ILE A 74 6.799 -2.603 1.971 1.00 50.34 H new ATOM 0 HD13 ILE A 74 8.243 -3.284 1.185 1.00 50.34 H new ATOM 1212 N ASN A 75 7.350 -1.865 6.483 1.00 42.43 N ATOM 1213 CA ASN A 75 6.178 -1.776 7.364 1.00 44.55 C ATOM 1214 C ASN A 75 4.975 -1.211 6.634 1.00 62.31 C ATOM 1215 O ASN A 75 5.149 -0.509 5.643 1.00 75.23 O ATOM 1216 CB ASN A 75 6.449 -0.853 8.564 1.00 31.10 C ATOM 1217 CG ASN A 75 7.060 0.486 8.191 1.00 61.33 C ATOM 1218 OD1 ASN A 75 8.270 0.664 8.311 1.00 54.21 O ATOM 1219 ND2 ASN A 75 6.275 1.437 7.724 1.00 14.30 N ATOM 0 H ASN A 75 7.564 -0.983 6.018 1.00 42.43 H new ATOM 0 HA ASN A 75 5.976 -2.793 7.700 1.00 44.55 H new ATOM 0 HB2 ASN A 75 5.512 -0.678 9.093 1.00 31.10 H new ATOM 0 HB3 ASN A 75 7.116 -1.364 9.258 1.00 31.10 H new ATOM 0 HD21 ASN A 75 6.670 2.338 7.455 1.00 14.30 H new ATOM 0 HD22 ASN A 75 5.273 1.271 7.631 1.00 14.30 H new ATOM 1226 N VAL A 76 3.778 -1.476 7.162 1.00 42.20 N ATOM 1227 CA VAL A 76 2.491 -1.016 6.664 1.00 4.53 C ATOM 1228 C VAL A 76 1.669 -0.574 7.876 1.00 55.44 C ATOM 1229 O VAL A 76 1.709 -1.222 8.921 1.00 73.40 O ATOM 1230 CB VAL A 76 1.760 -2.131 5.880 1.00 73.53 C ATOM 1231 CG1 VAL A 76 0.263 -1.851 5.688 1.00 42.32 C ATOM 1232 CG2 VAL A 76 2.346 -2.318 4.480 1.00 51.01 C ATOM 0 H VAL A 76 3.682 -2.052 7.998 1.00 42.20 H new ATOM 0 HA VAL A 76 2.630 -0.188 5.969 1.00 4.53 H new ATOM 0 HB VAL A 76 1.896 -3.024 6.490 1.00 73.53 H new ATOM 0 HG11 VAL A 76 -0.192 -2.670 5.131 1.00 42.32 H new ATOM 0 HG12 VAL A 76 -0.219 -1.763 6.662 1.00 42.32 H new ATOM 0 HG13 VAL A 76 0.135 -0.921 5.135 1.00 42.32 H new ATOM 0 HG21 VAL A 76 1.805 -3.110 3.962 1.00 51.01 H new ATOM 0 HG22 VAL A 76 2.253 -1.388 3.919 1.00 51.01 H new ATOM 0 HG23 VAL A 76 3.399 -2.590 4.559 1.00 51.01 H new ATOM 1242 N GLU A 77 0.945 0.535 7.744 1.00 55.15 N ATOM 1243 CA GLU A 77 0.064 1.075 8.768 1.00 14.22 C ATOM 1244 C GLU A 77 -1.089 1.808 8.068 1.00 50.42 C ATOM 1245 O GLU A 77 -1.041 2.090 6.866 1.00 52.54 O ATOM 1246 CB GLU A 77 0.784 1.936 9.825 1.00 21.13 C ATOM 1247 CG GLU A 77 1.889 2.882 9.344 1.00 34.35 C ATOM 1248 CD GLU A 77 2.290 3.870 10.443 1.00 35.30 C ATOM 1249 OE1 GLU A 77 1.439 4.711 10.819 1.00 45.22 O ATOM 1250 OE2 GLU A 77 3.446 3.843 10.925 1.00 35.31 O ATOM 0 H GLU A 77 0.958 1.098 6.893 1.00 55.15 H new ATOM 0 HA GLU A 77 -0.335 0.249 9.357 1.00 14.22 H new ATOM 0 HB2 GLU A 77 0.031 2.534 10.339 1.00 21.13 H new ATOM 0 HB3 GLU A 77 1.217 1.264 10.566 1.00 21.13 H new ATOM 0 HG2 GLU A 77 2.760 2.302 9.037 1.00 34.35 H new ATOM 0 HG3 GLU A 77 1.546 3.430 8.466 1.00 34.35 H new ATOM 1257 N LEU A 78 -2.168 2.058 8.808 1.00 60.23 N ATOM 1258 CA LEU A 78 -3.357 2.734 8.324 1.00 15.40 C ATOM 1259 C LEU A 78 -3.186 4.233 8.494 1.00 33.14 C ATOM 1260 O LEU A 78 -2.546 4.683 9.444 1.00 52.20 O ATOM 1261 CB LEU A 78 -4.554 2.256 9.168 1.00 65.20 C ATOM 1262 CG LEU A 78 -5.748 1.681 8.405 1.00 4.23 C ATOM 1263 CD1 LEU A 78 -6.526 2.790 7.708 1.00 30.40 C ATOM 1264 CD2 LEU A 78 -5.346 0.579 7.416 1.00 30.13 C ATOM 0 H LEU A 78 -2.235 1.785 9.789 1.00 60.23 H new ATOM 0 HA LEU A 78 -3.522 2.510 7.270 1.00 15.40 H new ATOM 0 HB2 LEU A 78 -4.198 1.497 9.864 1.00 65.20 H new ATOM 0 HB3 LEU A 78 -4.906 3.097 9.766 1.00 65.20 H new ATOM 0 HG LEU A 78 -6.398 1.210 9.142 1.00 4.23 H new ATOM 0 HD11 LEU A 78 -7.371 2.359 7.171 1.00 30.40 H new ATOM 0 HD12 LEU A 78 -6.891 3.500 8.450 1.00 30.40 H new ATOM 0 HD13 LEU A 78 -5.873 3.305 7.004 1.00 30.40 H new ATOM 0 HD21 LEU A 78 -6.234 0.208 6.904 1.00 30.13 H new ATOM 0 HD22 LEU A 78 -4.647 0.984 6.684 1.00 30.13 H new ATOM 0 HD23 LEU A 78 -4.871 -0.240 7.957 1.00 30.13 H new ATOM 1276 N THR A 79 -3.771 5.000 7.586 1.00 53.40 N ATOM 1277 CA THR A 79 -3.715 6.454 7.631 1.00 10.32 C ATOM 1278 C THR A 79 -5.001 7.012 7.036 1.00 34.40 C ATOM 1279 O THR A 79 -5.337 6.619 5.920 1.00 3.31 O ATOM 1280 CB THR A 79 -2.488 6.992 6.876 1.00 65.24 C ATOM 1281 OG1 THR A 79 -2.316 6.395 5.597 1.00 1.43 O ATOM 1282 CG2 THR A 79 -1.179 6.841 7.649 1.00 3.20 C ATOM 0 H THR A 79 -4.299 4.631 6.795 1.00 53.40 H new ATOM 0 HA THR A 79 -3.618 6.775 8.668 1.00 10.32 H new ATOM 0 HB THR A 79 -2.708 8.053 6.757 1.00 65.24 H new ATOM 0 HG1 THR A 79 -3.095 5.839 5.388 1.00 1.43 H new ATOM 0 HG21 THR A 79 -0.357 7.242 7.055 1.00 3.20 H new ATOM 0 HG22 THR A 79 -1.247 7.387 8.590 1.00 3.20 H new ATOM 0 HG23 THR A 79 -0.997 5.786 7.854 1.00 3.20 H new ATOM 1290 N VAL A 80 -5.676 7.944 7.718 1.00 12.35 N ATOM 1291 CA VAL A 80 -6.922 8.597 7.292 1.00 14.21 C ATOM 1292 C VAL A 80 -8.104 7.608 7.345 1.00 42.51 C ATOM 1293 O VAL A 80 -7.943 6.387 7.363 1.00 72.12 O ATOM 1294 CB VAL A 80 -6.721 9.301 5.913 1.00 43.32 C ATOM 1295 CG1 VAL A 80 -7.928 10.110 5.414 1.00 53.12 C ATOM 1296 CG2 VAL A 80 -5.503 10.246 5.957 1.00 11.54 C ATOM 0 H VAL A 80 -5.354 8.281 8.626 1.00 12.35 H new ATOM 0 HA VAL A 80 -7.185 9.391 7.991 1.00 14.21 H new ATOM 0 HB VAL A 80 -6.572 8.479 5.212 1.00 43.32 H new ATOM 0 HG11 VAL A 80 -7.691 10.560 4.450 1.00 53.12 H new ATOM 0 HG12 VAL A 80 -8.788 9.450 5.304 1.00 53.12 H new ATOM 0 HG13 VAL A 80 -8.162 10.895 6.133 1.00 53.12 H new ATOM 0 HG21 VAL A 80 -5.380 10.727 4.986 1.00 11.54 H new ATOM 0 HG22 VAL A 80 -5.660 11.007 6.721 1.00 11.54 H new ATOM 0 HG23 VAL A 80 -4.606 9.673 6.194 1.00 11.54 H new ATOM 1306 N GLY A 81 -9.325 8.130 7.381 1.00 20.42 N ATOM 1307 CA GLY A 81 -10.557 7.355 7.434 1.00 65.42 C ATOM 1308 C GLY A 81 -11.602 8.204 8.133 1.00 60.24 C ATOM 1309 O GLY A 81 -12.062 7.860 9.228 1.00 44.55 O ATOM 0 H GLY A 81 -9.489 9.137 7.374 1.00 20.42 H new ATOM 0 HA2 GLY A 81 -10.887 7.091 6.429 1.00 65.42 H new ATOM 0 HA3 GLY A 81 -10.399 6.421 7.973 1.00 65.42 H new ATOM 1313 N GLY A 82 -11.924 9.341 7.518 1.00 62.43 N ATOM 1314 CA GLY A 82 -12.875 10.322 7.988 1.00 25.14 C ATOM 1315 C GLY A 82 -12.215 11.654 7.767 1.00 63.12 C ATOM 1316 O GLY A 82 -12.087 12.058 6.590 1.00 63.43 O ATOM 0 H GLY A 82 -11.499 9.608 6.630 1.00 62.43 H new ATOM 0 HA2 GLY A 82 -13.814 10.253 7.440 1.00 25.14 H new ATOM 0 HA3 GLY A 82 -13.109 10.169 9.042 1.00 25.14 H new TER 1320 GLY A 82