USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1286 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 60 HIS :FLIP no HE2:sc= 0.456 F(o=-3.9,f=-3) USER MOD Set 1.2: A 80 HIS : no HD1:sc= 0.0366 K(o=-3,f=-7.7) USER MOD Set 1.3: A 83 THR OG1 : rot 107:sc= 0.668 USER MOD Set 1.4: A 96 HIS : no HD1:sc= -4.15! C(o=-3!,f=-11!) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -156:sc= 0.468 (180deg=-2.23!) USER MOD Set 2.2: A 44 TYR OH : rot -45:sc= 0.35 USER MOD Single : A 5 THR OG1 : rot 39:sc= 0.127 USER MOD Single : A 10 THR OG1 : rot 59:sc= 1.16 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 13 GLN : amide:sc= -0.23 K(o=-0.23,f=-3.1!) USER MOD Single : A 15 ASN : amide:sc= -0.619 K(o=-0.62,f=-2.7!) USER MOD Single : A 24 SER OG : rot 84:sc= 0.00264 USER MOD Single : A 26 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-4.6!) USER MOD Single : A 28 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 46:sc= 0.437 USER MOD Single : A 65 SER OG : rot 31:sc= 0.178 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.432 F(o=-3!,f=-0.43) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -80:sc= 1.95 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.23) USER MOD Single : A 120 GLN : amide:sc= -2.32! C(o=-2.3!,f=-6.9!) USER MOD Single : A 121 SER OG : rot -172:sc= -0.515 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 32:sc= 0.28 USER MOD Single : A 128 MET CE :methyl -157:sc= 0 (180deg=-1.01) USER MOD Single : A 137 SER OG : rot -23:sc= 0.523 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= -0.838 K(o=-0.84,f=-4.1!) USER MOD Single : A 150 TYR OH : rot 66:sc= -0.255 USER MOD Single : A 151 SER OG : rot -139:sc= 0.679 USER MOD Single : A 154 CYS SG : rot -79:sc= -1.4 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 SER OG : rot 75:sc= 0.779 USER MOD Single : A 159 THR OG1 : rot -29:sc= 0.112 USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 CYS SG : rot 39:sc= 0.0793 USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= -3.29 X(o=-3.3,f=-3.6) USER MOD Single : A 173 THR OG1 : rot 114:sc= 0.32 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 -14.182 0.121 -14.703 1.00 55.03 N ATOM 60 CA THR A 5 -13.549 -1.202 -14.624 1.00 43.14 C ATOM 61 C THR A 5 -12.431 -1.380 -15.670 1.00 0.21 C ATOM 62 O THR A 5 -11.336 -1.850 -15.340 1.00 15.21 O ATOM 63 CB THR A 5 -14.636 -2.314 -14.780 1.00 64.13 C ATOM 64 OG1 THR A 5 -15.667 -2.120 -13.796 1.00 22.20 O ATOM 65 CG2 THR A 5 -14.060 -3.733 -14.637 1.00 14.15 C ATOM 0 HA THR A 5 -13.077 -1.289 -13.645 1.00 43.14 H new ATOM 0 HB THR A 5 -15.042 -2.226 -15.788 1.00 64.13 H new ATOM 0 HG1 THR A 5 -15.848 -1.162 -13.697 1.00 22.20 H new ATOM 0 HG21 THR A 5 -14.860 -4.464 -14.754 1.00 14.15 H new ATOM 0 HG22 THR A 5 -13.303 -3.897 -15.404 1.00 14.15 H new ATOM 0 HG23 THR A 5 -13.608 -3.845 -13.651 1.00 14.15 H new ATOM 73 N GLU A 6 -12.732 -1.019 -16.927 1.00 12.35 N ATOM 74 CA GLU A 6 -11.779 -1.148 -18.043 1.00 61.20 C ATOM 75 C GLU A 6 -10.595 -0.186 -17.862 1.00 62.43 C ATOM 76 O GLU A 6 -9.470 -0.528 -18.219 1.00 4.45 O ATOM 77 CB GLU A 6 -12.474 -0.922 -19.414 1.00 5.40 C ATOM 78 CG GLU A 6 -12.984 0.515 -19.675 1.00 71.20 C ATOM 79 CD GLU A 6 -13.740 0.703 -21.000 1.00 3.53 C ATOM 80 OE1 GLU A 6 -13.753 -0.215 -21.851 1.00 35.12 O ATOM 81 OE2 GLU A 6 -14.320 1.788 -21.208 1.00 62.43 O ATOM 0 H GLU A 6 -13.636 -0.632 -17.198 1.00 12.35 H new ATOM 0 HA GLU A 6 -11.395 -2.168 -18.035 1.00 61.20 H new ATOM 0 HB2 GLU A 6 -11.773 -1.189 -20.205 1.00 5.40 H new ATOM 0 HB3 GLU A 6 -13.318 -1.608 -19.491 1.00 5.40 H new ATOM 0 HG2 GLU A 6 -13.640 0.807 -18.855 1.00 71.20 H new ATOM 0 HG3 GLU A 6 -12.133 1.195 -19.660 1.00 71.20 H new ATOM 88 N ASP A 7 -10.864 1.020 -17.313 1.00 63.11 N ATOM 89 CA ASP A 7 -9.824 2.037 -17.060 1.00 4.43 C ATOM 90 C ASP A 7 -8.887 1.598 -15.929 1.00 64.05 C ATOM 91 O ASP A 7 -7.671 1.771 -16.014 1.00 2.54 O ATOM 92 CB ASP A 7 -10.471 3.392 -16.706 1.00 0.02 C ATOM 93 CG ASP A 7 -9.469 4.551 -16.777 1.00 70.20 C ATOM 94 OD1 ASP A 7 -9.249 5.089 -17.879 1.00 20.22 O ATOM 95 OD2 ASP A 7 -8.889 4.923 -15.739 1.00 21.03 O ATOM 0 H ASP A 7 -11.801 1.312 -17.036 1.00 63.11 H new ATOM 0 HA ASP A 7 -9.237 2.148 -17.972 1.00 4.43 H new ATOM 0 HB2 ASP A 7 -11.298 3.587 -17.389 1.00 0.02 H new ATOM 0 HB3 ASP A 7 -10.892 3.340 -15.702 1.00 0.02 H new ATOM 100 N TRP A 8 -9.498 1.111 -14.839 1.00 33.30 N ATOM 101 CA TRP A 8 -8.792 0.412 -13.749 1.00 43.55 C ATOM 102 C TRP A 8 -7.862 -0.670 -14.313 1.00 42.22 C ATOM 103 O TRP A 8 -6.733 -0.788 -13.867 1.00 20.33 O ATOM 104 CB TRP A 8 -9.807 -0.200 -12.753 1.00 2.21 C ATOM 105 CG TRP A 8 -9.204 -1.123 -11.705 1.00 25.24 C ATOM 106 CD1 TRP A 8 -8.468 -0.768 -10.606 1.00 11.13 C ATOM 107 CD2 TRP A 8 -9.290 -2.562 -11.673 1.00 21.12 C ATOM 108 NE1 TRP A 8 -8.108 -1.887 -9.900 1.00 31.31 N ATOM 109 CE2 TRP A 8 -8.601 -2.998 -10.527 1.00 2.13 C ATOM 110 CE3 TRP A 8 -9.896 -3.516 -12.495 1.00 31.25 C ATOM 111 CZ2 TRP A 8 -8.508 -4.342 -10.176 1.00 21.44 C ATOM 112 CZ3 TRP A 8 -9.790 -4.850 -12.153 1.00 22.13 C ATOM 113 CH2 TRP A 8 -9.105 -5.253 -11.002 1.00 12.24 C ATOM 0 H TRP A 8 -10.503 1.190 -14.686 1.00 33.30 H new ATOM 0 HA TRP A 8 -8.181 1.138 -13.213 1.00 43.55 H new ATOM 0 HB2 TRP A 8 -10.328 0.611 -12.244 1.00 2.21 H new ATOM 0 HB3 TRP A 8 -10.556 -0.756 -13.317 1.00 2.21 H new ATOM 0 HD1 TRP A 8 -8.209 0.245 -10.335 1.00 11.13 H new ATOM 0 HE1 TRP A 8 -7.558 -1.890 -9.041 1.00 31.31 H new ATOM 0 HE3 TRP A 8 -10.437 -3.216 -13.380 1.00 31.25 H new ATOM 0 HZ2 TRP A 8 -7.984 -4.653 -9.284 1.00 21.44 H new ATOM 0 HZ3 TRP A 8 -10.245 -5.597 -12.787 1.00 22.13 H new ATOM 0 HH2 TRP A 8 -9.047 -6.304 -10.761 1.00 12.24 H new ATOM 124 N GLU A 9 -8.356 -1.434 -15.306 1.00 2.32 N ATOM 125 CA GLU A 9 -7.573 -2.496 -15.959 1.00 23.51 C ATOM 126 C GLU A 9 -6.478 -1.895 -16.882 1.00 62.14 C ATOM 127 O GLU A 9 -5.429 -2.515 -17.082 1.00 14.01 O ATOM 128 CB GLU A 9 -8.495 -3.457 -16.756 1.00 44.51 C ATOM 129 CG GLU A 9 -7.785 -4.730 -17.266 1.00 44.23 C ATOM 130 CD GLU A 9 -8.668 -5.611 -18.159 1.00 71.11 C ATOM 131 OE1 GLU A 9 -9.496 -6.374 -17.632 1.00 34.34 O ATOM 132 OE2 GLU A 9 -8.534 -5.544 -19.398 1.00 31.33 O ATOM 0 H GLU A 9 -9.302 -1.332 -15.674 1.00 2.32 H new ATOM 0 HA GLU A 9 -7.078 -3.072 -15.177 1.00 23.51 H new ATOM 0 HB2 GLU A 9 -9.332 -3.750 -16.122 1.00 44.51 H new ATOM 0 HB3 GLU A 9 -8.912 -2.920 -17.608 1.00 44.51 H new ATOM 0 HG2 GLU A 9 -6.894 -4.440 -17.823 1.00 44.23 H new ATOM 0 HG3 GLU A 9 -7.449 -5.316 -16.410 1.00 44.23 H new ATOM 139 N THR A 10 -6.722 -0.683 -17.421 1.00 13.45 N ATOM 140 CA THR A 10 -5.767 0.004 -18.308 1.00 1.22 C ATOM 141 C THR A 10 -4.520 0.437 -17.521 1.00 35.32 C ATOM 142 O THR A 10 -3.407 0.118 -17.906 1.00 23.44 O ATOM 143 CB THR A 10 -6.418 1.251 -18.998 1.00 23.01 C ATOM 144 OG1 THR A 10 -7.597 0.854 -19.711 1.00 1.15 O ATOM 145 CG2 THR A 10 -5.453 1.959 -19.970 1.00 20.31 C ATOM 0 H THR A 10 -7.580 -0.158 -17.254 1.00 13.45 H new ATOM 0 HA THR A 10 -5.476 -0.702 -19.086 1.00 1.22 H new ATOM 0 HB THR A 10 -6.670 1.957 -18.207 1.00 23.01 H new ATOM 0 HG1 THR A 10 -8.233 0.443 -19.089 1.00 1.15 H new ATOM 0 HG21 THR A 10 -5.954 2.816 -20.421 1.00 20.31 H new ATOM 0 HG22 THR A 10 -4.572 2.299 -19.425 1.00 20.31 H new ATOM 0 HG23 THR A 10 -5.149 1.263 -20.752 1.00 20.31 H new ATOM 153 N GLN A 11 -4.723 1.199 -16.428 1.00 41.32 N ATOM 154 CA GLN A 11 -3.627 1.601 -15.506 1.00 62.02 C ATOM 155 C GLN A 11 -2.969 0.378 -14.814 1.00 54.34 C ATOM 156 O GLN A 11 -1.801 0.434 -14.438 1.00 65.40 O ATOM 157 CB GLN A 11 -4.168 2.582 -14.428 1.00 2.23 C ATOM 158 CG GLN A 11 -5.177 1.930 -13.451 1.00 52.22 C ATOM 159 CD GLN A 11 -5.797 2.867 -12.419 1.00 31.54 C ATOM 160 OE1 GLN A 11 -5.971 4.056 -12.659 1.00 55.31 O ATOM 161 NE2 GLN A 11 -6.160 2.319 -11.265 1.00 22.21 N ATOM 0 H GLN A 11 -5.640 1.553 -16.156 1.00 41.32 H new ATOM 0 HA GLN A 11 -2.863 2.095 -16.107 1.00 62.02 H new ATOM 0 HB2 GLN A 11 -3.329 2.982 -13.858 1.00 2.23 H new ATOM 0 HB3 GLN A 11 -4.648 3.426 -14.924 1.00 2.23 H new ATOM 0 HG2 GLN A 11 -5.980 1.479 -14.034 1.00 52.22 H new ATOM 0 HG3 GLN A 11 -4.673 1.120 -12.923 1.00 52.22 H new ATOM 0 HE21 GLN A 11 -6.000 1.325 -11.100 1.00 22.21 H new ATOM 0 HE22 GLN A 11 -6.599 2.892 -10.544 1.00 22.21 H new ATOM 170 N LEU A 12 -3.751 -0.715 -14.671 1.00 1.24 N ATOM 171 CA LEU A 12 -3.384 -1.918 -13.885 1.00 53.35 C ATOM 172 C LEU A 12 -2.111 -2.610 -14.408 1.00 41.24 C ATOM 173 O LEU A 12 -1.390 -3.260 -13.630 1.00 10.23 O ATOM 174 CB LEU A 12 -4.571 -2.913 -13.903 1.00 45.24 C ATOM 175 CG LEU A 12 -4.498 -4.144 -12.961 1.00 24.41 C ATOM 176 CD1 LEU A 12 -4.297 -3.716 -11.491 1.00 20.22 C ATOM 177 CD2 LEU A 12 -5.756 -5.036 -13.141 1.00 44.12 C ATOM 0 H LEU A 12 -4.671 -0.789 -15.105 1.00 1.24 H new ATOM 0 HA LEU A 12 -3.168 -1.594 -12.867 1.00 53.35 H new ATOM 0 HB2 LEU A 12 -5.477 -2.358 -13.659 1.00 45.24 H new ATOM 0 HB3 LEU A 12 -4.686 -3.279 -14.923 1.00 45.24 H new ATOM 0 HG LEU A 12 -3.627 -4.738 -13.235 1.00 24.41 H new ATOM 0 HD11 LEU A 12 -4.250 -4.602 -10.857 1.00 20.22 H new ATOM 0 HD12 LEU A 12 -3.367 -3.155 -11.399 1.00 20.22 H new ATOM 0 HD13 LEU A 12 -5.132 -3.089 -11.177 1.00 20.22 H new ATOM 0 HD21 LEU A 12 -5.691 -5.896 -12.474 1.00 44.12 H new ATOM 0 HD22 LEU A 12 -6.649 -4.458 -12.902 1.00 44.12 H new ATOM 0 HD23 LEU A 12 -5.813 -5.381 -14.173 1.00 44.12 H new ATOM 189 N GLN A 13 -1.851 -2.488 -15.733 1.00 50.15 N ATOM 190 CA GLN A 13 -0.620 -3.033 -16.332 1.00 1.40 C ATOM 191 C GLN A 13 0.607 -2.277 -15.787 1.00 12.13 C ATOM 192 O GLN A 13 1.578 -2.903 -15.418 1.00 62.11 O ATOM 193 CB GLN A 13 -0.666 -3.119 -17.908 1.00 75.22 C ATOM 194 CG GLN A 13 -1.190 -1.898 -18.698 1.00 33.00 C ATOM 195 CD GLN A 13 -0.310 -0.644 -18.653 1.00 3.31 C ATOM 196 OE1 GLN A 13 -0.529 0.258 -17.847 1.00 51.31 O ATOM 197 NE2 GLN A 13 0.721 -0.600 -19.484 1.00 32.44 N ATOM 0 H GLN A 13 -2.472 -2.022 -16.395 1.00 50.15 H new ATOM 0 HA GLN A 13 -0.532 -4.075 -16.025 1.00 1.40 H new ATOM 0 HB2 GLN A 13 0.344 -3.332 -18.258 1.00 75.22 H new ATOM 0 HB3 GLN A 13 -1.283 -3.977 -18.175 1.00 75.22 H new ATOM 0 HG2 GLN A 13 -1.318 -2.191 -19.740 1.00 33.00 H new ATOM 0 HG3 GLN A 13 -2.178 -1.639 -18.316 1.00 33.00 H new ATOM 0 HE21 GLN A 13 0.878 -1.363 -20.142 1.00 32.44 H new ATOM 0 HE22 GLN A 13 1.357 0.197 -19.465 1.00 32.44 H new ATOM 206 N ALA A 14 0.507 -0.943 -15.634 1.00 3.32 N ATOM 207 CA ALA A 14 1.603 -0.098 -15.094 1.00 1.25 C ATOM 208 C ALA A 14 1.830 -0.412 -13.605 1.00 40.21 C ATOM 209 O ALA A 14 2.976 -0.543 -13.150 1.00 54.43 O ATOM 210 CB ALA A 14 1.280 1.395 -15.298 1.00 21.15 C ATOM 0 H ALA A 14 -0.331 -0.416 -15.879 1.00 3.32 H new ATOM 0 HA ALA A 14 2.522 -0.323 -15.636 1.00 1.25 H new ATOM 0 HB1 ALA A 14 2.092 2.001 -14.897 1.00 21.15 H new ATOM 0 HB2 ALA A 14 1.165 1.600 -16.362 1.00 21.15 H new ATOM 0 HB3 ALA A 14 0.354 1.641 -14.779 1.00 21.15 H new ATOM 216 N ASN A 15 0.704 -0.550 -12.876 1.00 13.43 N ATOM 217 CA ASN A 15 0.680 -0.920 -11.441 1.00 31.43 C ATOM 218 C ASN A 15 1.442 -2.233 -11.164 1.00 53.02 C ATOM 219 O ASN A 15 1.978 -2.411 -10.068 1.00 41.51 O ATOM 220 CB ASN A 15 -0.790 -1.053 -10.932 1.00 2.20 C ATOM 221 CG ASN A 15 -1.588 0.263 -10.967 1.00 4.04 C ATOM 222 OD1 ASN A 15 -1.355 1.127 -11.804 1.00 75.43 O ATOM 223 ND2 ASN A 15 -2.546 0.424 -10.060 1.00 45.40 N ATOM 0 H ASN A 15 -0.226 -0.407 -13.269 1.00 13.43 H new ATOM 0 HA ASN A 15 1.184 -0.119 -10.901 1.00 31.43 H new ATOM 0 HB2 ASN A 15 -1.308 -1.796 -11.539 1.00 2.20 H new ATOM 0 HB3 ASN A 15 -0.777 -1.430 -9.909 1.00 2.20 H new ATOM 0 HD21 ASN A 15 -3.103 1.279 -10.052 1.00 45.40 H new ATOM 0 HD22 ASN A 15 -2.725 -0.307 -9.372 1.00 45.40 H new ATOM 230 N ARG A 16 1.467 -3.152 -12.154 1.00 33.23 N ATOM 231 CA ARG A 16 2.154 -4.454 -12.017 1.00 65.45 C ATOM 232 C ARG A 16 3.548 -4.446 -12.695 1.00 35.11 C ATOM 233 O ARG A 16 4.431 -5.172 -12.252 1.00 42.11 O ATOM 234 CB ARG A 16 1.265 -5.614 -12.565 1.00 14.34 C ATOM 235 CG ARG A 16 1.142 -5.676 -14.104 1.00 64.14 C ATOM 236 CD ARG A 16 0.294 -6.853 -14.620 1.00 13.50 C ATOM 237 NE ARG A 16 -1.149 -6.678 -14.360 1.00 52.31 N ATOM 238 CZ ARG A 16 -1.928 -7.527 -13.663 1.00 50.44 C ATOM 239 NH1 ARG A 16 -1.425 -8.628 -13.127 1.00 73.22 N ATOM 240 NH2 ARG A 16 -3.223 -7.290 -13.557 1.00 63.15 N ATOM 0 H ARG A 16 1.018 -3.015 -13.059 1.00 33.23 H new ATOM 0 HA ARG A 16 2.317 -4.626 -10.953 1.00 65.45 H new ATOM 0 HB2 ARG A 16 1.672 -6.561 -12.210 1.00 14.34 H new ATOM 0 HB3 ARG A 16 0.266 -5.517 -12.140 1.00 14.34 H new ATOM 0 HG2 ARG A 16 0.705 -4.743 -14.461 1.00 64.14 H new ATOM 0 HG3 ARG A 16 2.141 -5.745 -14.535 1.00 64.14 H new ATOM 0 HD2 ARG A 16 0.454 -6.967 -15.692 1.00 13.50 H new ATOM 0 HD3 ARG A 16 0.634 -7.774 -14.147 1.00 13.50 H new ATOM 0 HE ARG A 16 -1.594 -5.843 -14.741 1.00 52.31 H new ATOM 0 HH11 ARG A 16 -0.434 -8.843 -13.239 1.00 73.22 H new ATOM 0 HH12 ARG A 16 -2.028 -9.261 -12.602 1.00 73.22 H new ATOM 0 HH21 ARG A 16 -3.629 -6.467 -14.002 1.00 63.15 H new ATOM 0 HH22 ARG A 16 -3.817 -7.930 -13.030 1.00 63.15 H new ATOM 254 N ASP A 17 3.736 -3.622 -13.759 1.00 71.23 N ATOM 255 CA ASP A 17 5.001 -3.574 -14.546 1.00 13.21 C ATOM 256 C ASP A 17 6.209 -3.283 -13.644 1.00 45.55 C ATOM 257 O ASP A 17 6.958 -4.198 -13.295 1.00 32.43 O ATOM 258 CB ASP A 17 4.954 -2.514 -15.705 1.00 23.11 C ATOM 259 CG ASP A 17 4.143 -2.931 -16.942 1.00 71.15 C ATOM 260 OD1 ASP A 17 4.230 -4.101 -17.364 1.00 23.34 O ATOM 261 OD2 ASP A 17 3.460 -2.071 -17.538 1.00 35.02 O ATOM 0 H ASP A 17 3.022 -2.976 -14.095 1.00 71.23 H new ATOM 0 HA ASP A 17 5.110 -4.561 -14.994 1.00 13.21 H new ATOM 0 HB2 ASP A 17 4.535 -1.588 -15.312 1.00 23.11 H new ATOM 0 HB3 ASP A 17 5.975 -2.295 -16.017 1.00 23.11 H new ATOM 266 N GLU A 18 6.357 -2.005 -13.249 1.00 50.43 N ATOM 267 CA GLU A 18 7.520 -1.540 -12.467 1.00 54.34 C ATOM 268 C GLU A 18 7.614 -2.244 -11.102 1.00 42.03 C ATOM 269 O GLU A 18 8.711 -2.509 -10.627 1.00 71.15 O ATOM 270 CB GLU A 18 7.484 0.001 -12.279 1.00 43.24 C ATOM 271 CG GLU A 18 6.278 0.530 -11.470 1.00 42.41 C ATOM 272 CD GLU A 18 6.354 2.041 -11.204 1.00 15.50 C ATOM 273 OE1 GLU A 18 5.988 2.829 -12.099 1.00 32.14 O ATOM 274 OE2 GLU A 18 6.790 2.445 -10.106 1.00 31.12 O ATOM 0 H GLU A 18 5.681 -1.271 -13.460 1.00 50.43 H new ATOM 0 HA GLU A 18 8.412 -1.802 -13.036 1.00 54.34 H new ATOM 0 HB2 GLU A 18 8.402 0.313 -11.781 1.00 43.24 H new ATOM 0 HB3 GLU A 18 7.478 0.472 -13.262 1.00 43.24 H new ATOM 0 HG2 GLU A 18 5.358 0.307 -12.011 1.00 42.41 H new ATOM 0 HG3 GLU A 18 6.225 0.001 -10.519 1.00 42.41 H new ATOM 281 N LYS A 19 6.448 -2.579 -10.524 1.00 1.23 N ATOM 282 CA LYS A 19 6.336 -3.102 -9.148 1.00 55.11 C ATOM 283 C LYS A 19 6.897 -4.534 -9.019 1.00 74.13 C ATOM 284 O LYS A 19 7.698 -4.822 -8.121 1.00 34.20 O ATOM 285 CB LYS A 19 4.855 -3.069 -8.702 1.00 43.31 C ATOM 286 CG LYS A 19 4.629 -3.413 -7.213 1.00 11.32 C ATOM 287 CD LYS A 19 3.138 -3.384 -6.787 1.00 4.13 C ATOM 288 CE LYS A 19 2.331 -4.646 -7.163 1.00 64.41 C ATOM 289 NZ LYS A 19 2.193 -4.864 -8.624 1.00 32.11 N ATOM 0 H LYS A 19 5.550 -2.495 -11.000 1.00 1.23 H new ATOM 0 HA LYS A 19 6.935 -2.463 -8.500 1.00 55.11 H new ATOM 0 HB2 LYS A 19 4.451 -2.076 -8.898 1.00 43.31 H new ATOM 0 HB3 LYS A 19 4.288 -3.770 -9.314 1.00 43.31 H new ATOM 0 HG2 LYS A 19 5.036 -4.404 -7.012 1.00 11.32 H new ATOM 0 HG3 LYS A 19 5.188 -2.708 -6.597 1.00 11.32 H new ATOM 0 HD2 LYS A 19 3.086 -3.245 -5.707 1.00 4.13 H new ATOM 0 HD3 LYS A 19 2.661 -2.516 -7.243 1.00 4.13 H new ATOM 0 HE2 LYS A 19 2.813 -5.518 -6.720 1.00 64.41 H new ATOM 0 HE3 LYS A 19 1.337 -4.573 -6.722 1.00 64.41 H new ATOM 0 HZ1 LYS A 19 1.349 -5.443 -8.810 1.00 32.11 H new ATOM 0 HZ2 LYS A 19 2.096 -3.947 -9.104 1.00 32.11 H new ATOM 0 HZ3 LYS A 19 3.036 -5.356 -8.983 1.00 32.11 H new ATOM 303 N ASP A 20 6.456 -5.417 -9.917 1.00 63.25 N ATOM 304 CA ASP A 20 6.841 -6.840 -9.902 1.00 54.30 C ATOM 305 C ASP A 20 8.308 -7.013 -10.326 1.00 14.22 C ATOM 306 O ASP A 20 9.030 -7.849 -9.768 1.00 23.41 O ATOM 307 CB ASP A 20 5.880 -7.670 -10.803 1.00 42.25 C ATOM 308 CG ASP A 20 4.429 -7.761 -10.269 1.00 34.42 C ATOM 309 OD1 ASP A 20 3.886 -6.746 -9.784 1.00 72.12 O ATOM 310 OD2 ASP A 20 3.810 -8.844 -10.376 1.00 34.13 O ATOM 0 H ASP A 20 5.822 -5.171 -10.677 1.00 63.25 H new ATOM 0 HA ASP A 20 6.751 -7.217 -8.883 1.00 54.30 H new ATOM 0 HB2 ASP A 20 5.862 -7.228 -11.799 1.00 42.25 H new ATOM 0 HB3 ASP A 20 6.280 -8.678 -10.909 1.00 42.25 H new ATOM 315 N ARG A 21 8.763 -6.177 -11.276 1.00 53.33 N ATOM 316 CA ARG A 21 10.163 -6.211 -11.758 1.00 0.22 C ATOM 317 C ARG A 21 11.083 -5.422 -10.799 1.00 40.04 C ATOM 318 O ARG A 21 12.301 -5.466 -10.931 1.00 72.54 O ATOM 319 CB ARG A 21 10.288 -5.659 -13.204 1.00 74.22 C ATOM 320 CG ARG A 21 10.137 -4.128 -13.331 1.00 33.10 C ATOM 321 CD ARG A 21 10.277 -3.622 -14.771 1.00 72.45 C ATOM 322 NE ARG A 21 9.230 -4.177 -15.654 1.00 24.52 N ATOM 323 CZ ARG A 21 8.543 -3.501 -16.589 1.00 43.52 C ATOM 324 NH1 ARG A 21 8.758 -2.212 -16.805 1.00 52.22 N ATOM 325 NH2 ARG A 21 7.643 -4.143 -17.311 1.00 0.10 N ATOM 0 H ARG A 21 8.185 -5.468 -11.728 1.00 53.33 H new ATOM 0 HA ARG A 21 10.479 -7.254 -11.775 1.00 0.22 H new ATOM 0 HB2 ARG A 21 11.260 -5.948 -13.605 1.00 74.22 H new ATOM 0 HB3 ARG A 21 9.531 -6.137 -13.826 1.00 74.22 H new ATOM 0 HG2 ARG A 21 9.162 -3.833 -12.943 1.00 33.10 H new ATOM 0 HG3 ARG A 21 10.889 -3.643 -12.708 1.00 33.10 H new ATOM 0 HD2 ARG A 21 10.220 -2.534 -14.780 1.00 72.45 H new ATOM 0 HD3 ARG A 21 11.259 -3.894 -15.157 1.00 72.45 H new ATOM 0 HE ARG A 21 9.008 -5.166 -15.543 1.00 24.52 H new ATOM 0 HH11 ARG A 21 9.457 -1.713 -16.256 1.00 52.22 H new ATOM 0 HH12 ARG A 21 8.224 -1.719 -17.521 1.00 52.22 H new ATOM 0 HH21 ARG A 21 7.478 -5.137 -17.154 1.00 0.10 H new ATOM 0 HH22 ARG A 21 7.112 -3.645 -18.025 1.00 0.10 H new ATOM 339 N PHE A 22 10.487 -4.664 -9.861 1.00 31.34 N ATOM 340 CA PHE A 22 11.246 -3.992 -8.789 1.00 24.24 C ATOM 341 C PHE A 22 11.859 -5.041 -7.851 1.00 54.41 C ATOM 342 O PHE A 22 12.958 -4.860 -7.359 1.00 72.11 O ATOM 343 CB PHE A 22 10.330 -3.018 -8.002 1.00 55.33 C ATOM 344 CG PHE A 22 11.064 -2.049 -7.073 1.00 64.30 C ATOM 345 CD1 PHE A 22 11.573 -0.848 -7.564 1.00 51.15 C ATOM 346 CD2 PHE A 22 11.234 -2.333 -5.719 1.00 73.34 C ATOM 347 CE1 PHE A 22 12.225 0.039 -6.732 1.00 20.20 C ATOM 348 CE2 PHE A 22 11.889 -1.447 -4.887 1.00 30.14 C ATOM 349 CZ PHE A 22 12.385 -0.259 -5.393 1.00 50.22 C ATOM 0 H PHE A 22 9.481 -4.501 -9.823 1.00 31.34 H new ATOM 0 HA PHE A 22 12.051 -3.409 -9.236 1.00 24.24 H new ATOM 0 HB2 PHE A 22 9.742 -2.440 -8.715 1.00 55.33 H new ATOM 0 HB3 PHE A 22 9.627 -3.603 -7.410 1.00 55.33 H new ATOM 0 HD1 PHE A 22 11.455 -0.608 -8.610 1.00 51.15 H new ATOM 0 HD2 PHE A 22 10.849 -3.258 -5.316 1.00 73.34 H new ATOM 0 HE1 PHE A 22 12.610 0.967 -7.128 1.00 20.20 H new ATOM 0 HE2 PHE A 22 12.014 -1.682 -3.840 1.00 30.14 H new ATOM 0 HZ PHE A 22 12.897 0.434 -4.742 1.00 50.22 H new ATOM 359 N PHE A 23 11.121 -6.135 -7.618 1.00 23.34 N ATOM 360 CA PHE A 23 11.596 -7.264 -6.791 1.00 33.42 C ATOM 361 C PHE A 23 12.543 -8.182 -7.588 1.00 44.14 C ATOM 362 O PHE A 23 13.549 -8.649 -7.054 1.00 21.43 O ATOM 363 CB PHE A 23 10.388 -8.073 -6.228 1.00 53.22 C ATOM 364 CG PHE A 23 9.636 -7.392 -5.067 1.00 23.01 C ATOM 365 CD1 PHE A 23 9.203 -6.064 -5.152 1.00 42.11 C ATOM 366 CD2 PHE A 23 9.372 -8.086 -3.885 1.00 40.11 C ATOM 367 CE1 PHE A 23 8.534 -5.463 -4.099 1.00 51.34 C ATOM 368 CE2 PHE A 23 8.706 -7.483 -2.833 1.00 20.13 C ATOM 369 CZ PHE A 23 8.286 -6.175 -2.940 1.00 30.44 C ATOM 0 H PHE A 23 10.182 -6.267 -7.993 1.00 23.34 H new ATOM 0 HA PHE A 23 12.160 -6.854 -5.953 1.00 33.42 H new ATOM 0 HB2 PHE A 23 9.684 -8.258 -7.039 1.00 53.22 H new ATOM 0 HB3 PHE A 23 10.747 -9.045 -5.889 1.00 53.22 H new ATOM 0 HD1 PHE A 23 9.394 -5.499 -6.053 1.00 42.11 H new ATOM 0 HD2 PHE A 23 9.694 -9.113 -3.790 1.00 40.11 H new ATOM 0 HE1 PHE A 23 8.206 -4.438 -4.183 1.00 51.34 H new ATOM 0 HE2 PHE A 23 8.515 -8.038 -1.927 1.00 20.13 H new ATOM 0 HZ PHE A 23 7.763 -5.706 -2.119 1.00 30.44 H new ATOM 379 N SER A 24 12.223 -8.429 -8.866 1.00 34.45 N ATOM 380 CA SER A 24 12.970 -9.396 -9.700 1.00 32.32 C ATOM 381 C SER A 24 14.281 -8.805 -10.271 1.00 13.40 C ATOM 382 O SER A 24 15.320 -9.468 -10.260 1.00 43.02 O ATOM 383 CB SER A 24 12.068 -9.895 -10.849 1.00 45.44 C ATOM 384 OG SER A 24 10.907 -10.537 -10.342 1.00 1.45 O ATOM 0 H SER A 24 11.450 -7.973 -9.351 1.00 34.45 H new ATOM 0 HA SER A 24 13.253 -10.229 -9.057 1.00 32.32 H new ATOM 0 HB2 SER A 24 11.777 -9.055 -11.479 1.00 45.44 H new ATOM 0 HB3 SER A 24 12.625 -10.588 -11.479 1.00 45.44 H new ATOM 0 HG SER A 24 10.227 -9.864 -10.130 1.00 1.45 H new ATOM 390 N GLU A 25 14.229 -7.554 -10.756 1.00 43.21 N ATOM 391 CA GLU A 25 15.326 -6.952 -11.562 1.00 1.35 C ATOM 392 C GLU A 25 16.108 -5.882 -10.785 1.00 71.14 C ATOM 393 O GLU A 25 17.342 -5.892 -10.791 1.00 20.23 O ATOM 394 CB GLU A 25 14.744 -6.342 -12.869 1.00 2.44 C ATOM 395 CG GLU A 25 13.926 -7.334 -13.719 1.00 70.53 C ATOM 396 CD GLU A 25 14.733 -8.579 -14.135 1.00 71.13 C ATOM 397 OE1 GLU A 25 15.645 -8.445 -14.975 1.00 20.11 O ATOM 398 OE2 GLU A 25 14.467 -9.690 -13.619 1.00 15.23 O ATOM 0 H GLU A 25 13.437 -6.929 -10.607 1.00 43.21 H new ATOM 0 HA GLU A 25 16.028 -7.750 -11.803 1.00 1.35 H new ATOM 0 HB2 GLU A 25 14.110 -5.494 -12.610 1.00 2.44 H new ATOM 0 HB3 GLU A 25 15.565 -5.954 -13.473 1.00 2.44 H new ATOM 0 HG2 GLU A 25 13.048 -7.649 -13.155 1.00 70.53 H new ATOM 0 HG3 GLU A 25 13.565 -6.826 -14.613 1.00 70.53 H new ATOM 405 N HIS A 26 15.380 -4.971 -10.120 1.00 44.44 N ATOM 406 CA HIS A 26 15.987 -3.805 -9.435 1.00 35.14 C ATOM 407 C HIS A 26 16.622 -4.234 -8.095 1.00 2.44 C ATOM 408 O HIS A 26 17.840 -4.161 -7.911 1.00 23.54 O ATOM 409 CB HIS A 26 14.915 -2.697 -9.201 1.00 22.25 C ATOM 410 CG HIS A 26 15.422 -1.483 -8.446 1.00 10.00 C ATOM 411 ND1 HIS A 26 15.295 -1.386 -7.080 1.00 22.45 N ATOM 412 CD2 HIS A 26 16.065 -0.376 -8.902 1.00 44.01 C ATOM 413 CE1 HIS A 26 15.854 -0.241 -6.739 1.00 74.12 C ATOM 414 NE2 HIS A 26 16.333 0.407 -7.806 1.00 73.31 N ATOM 0 H HIS A 26 14.364 -5.015 -10.039 1.00 44.44 H new ATOM 0 HA HIS A 26 16.773 -3.399 -10.072 1.00 35.14 H new ATOM 0 HB2 HIS A 26 14.528 -2.373 -10.167 1.00 22.25 H new ATOM 0 HB3 HIS A 26 14.079 -3.128 -8.651 1.00 22.25 H new ATOM 0 HD2 HIS A 26 16.317 -0.155 -9.929 1.00 44.01 H new ATOM 0 HE1 HIS A 26 15.917 0.127 -5.726 1.00 74.12 H new ATOM 0 HE2 HIS A 26 16.807 1.310 -7.806 1.00 73.31 H new ATOM 422 N ARG A 27 15.770 -4.725 -7.196 1.00 23.14 N ATOM 423 CA ARG A 27 16.122 -5.056 -5.803 1.00 23.24 C ATOM 424 C ARG A 27 16.410 -6.549 -5.655 1.00 1.40 C ATOM 425 O ARG A 27 15.910 -7.361 -6.434 1.00 63.44 O ATOM 426 CB ARG A 27 14.955 -4.642 -4.833 1.00 52.45 C ATOM 427 CG ARG A 27 15.040 -3.204 -4.287 1.00 53.52 C ATOM 428 CD ARG A 27 16.274 -3.015 -3.389 1.00 51.12 C ATOM 429 NE ARG A 27 16.345 -1.671 -2.808 1.00 11.25 N ATOM 430 CZ ARG A 27 17.170 -1.302 -1.817 1.00 62.12 C ATOM 431 NH1 ARG A 27 18.011 -2.165 -1.257 1.00 62.40 N ATOM 432 NH2 ARG A 27 17.143 -0.053 -1.396 1.00 72.02 N ATOM 0 H ARG A 27 14.791 -4.910 -7.415 1.00 23.14 H new ATOM 0 HA ARG A 27 17.022 -4.500 -5.540 1.00 23.24 H new ATOM 0 HB2 ARG A 27 14.007 -4.759 -5.359 1.00 52.45 H new ATOM 0 HB3 ARG A 27 14.940 -5.334 -3.991 1.00 52.45 H new ATOM 0 HG2 ARG A 27 15.082 -2.500 -5.118 1.00 53.52 H new ATOM 0 HG3 ARG A 27 14.138 -2.975 -3.720 1.00 53.52 H new ATOM 0 HD2 ARG A 27 16.252 -3.753 -2.587 1.00 51.12 H new ATOM 0 HD3 ARG A 27 17.176 -3.204 -3.972 1.00 51.12 H new ATOM 0 HE ARG A 27 15.718 -0.961 -3.187 1.00 11.25 H new ATOM 0 HH11 ARG A 27 18.039 -3.132 -1.579 1.00 62.40 H new ATOM 0 HH12 ARG A 27 18.629 -1.860 -0.505 1.00 62.40 H new ATOM 0 HH21 ARG A 27 16.502 0.615 -1.823 1.00 72.02 H new ATOM 0 HH22 ARG A 27 17.763 0.245 -0.643 1.00 72.02 H new ATOM 446 N GLN A 28 17.256 -6.882 -4.662 1.00 3.13 N ATOM 447 CA GLN A 28 17.372 -8.248 -4.133 1.00 13.42 C ATOM 448 C GLN A 28 15.980 -8.685 -3.589 1.00 2.22 C ATOM 449 O GLN A 28 15.460 -8.097 -2.630 1.00 13.12 O ATOM 450 CB GLN A 28 18.503 -8.337 -3.043 1.00 61.31 C ATOM 451 CG GLN A 28 18.333 -7.476 -1.744 1.00 31.41 C ATOM 452 CD GLN A 28 18.469 -5.946 -1.919 1.00 13.24 C ATOM 453 OE1 GLN A 28 17.817 -5.168 -1.218 1.00 20.44 O ATOM 454 NE2 GLN A 28 19.338 -5.497 -2.817 1.00 32.30 N ATOM 0 H GLN A 28 17.875 -6.211 -4.207 1.00 3.13 H new ATOM 0 HA GLN A 28 17.667 -8.936 -4.925 1.00 13.42 H new ATOM 0 HB2 GLN A 28 18.599 -9.381 -2.743 1.00 61.31 H new ATOM 0 HB3 GLN A 28 19.445 -8.053 -3.513 1.00 61.31 H new ATOM 0 HG2 GLN A 28 17.352 -7.687 -1.319 1.00 31.41 H new ATOM 0 HG3 GLN A 28 19.074 -7.805 -1.015 1.00 31.41 H new ATOM 0 HE21 GLN A 28 19.868 -6.156 -3.388 1.00 32.30 H new ATOM 0 HE22 GLN A 28 19.475 -4.493 -2.936 1.00 32.30 H new ATOM 463 N SER A 29 15.339 -9.638 -4.291 1.00 13.14 N ATOM 464 CA SER A 29 13.988 -10.115 -3.947 1.00 42.40 C ATOM 465 C SER A 29 13.970 -10.767 -2.546 1.00 60.33 C ATOM 466 O SER A 29 14.757 -11.688 -2.292 1.00 1.11 O ATOM 467 CB SER A 29 13.476 -11.094 -5.038 1.00 20.20 C ATOM 468 OG SER A 29 14.482 -12.009 -5.417 1.00 72.43 O ATOM 0 H SER A 29 15.741 -10.097 -5.109 1.00 13.14 H new ATOM 0 HA SER A 29 13.313 -9.260 -3.912 1.00 42.40 H new ATOM 0 HB2 SER A 29 12.609 -11.638 -4.664 1.00 20.20 H new ATOM 0 HB3 SER A 29 13.147 -10.530 -5.911 1.00 20.20 H new ATOM 0 HG SER A 29 14.132 -12.614 -6.104 1.00 72.43 H new ATOM 474 N PRO A 30 13.071 -10.284 -1.612 1.00 33.12 N ATOM 475 CA PRO A 30 12.934 -10.860 -0.253 1.00 13.33 C ATOM 476 C PRO A 30 12.372 -12.288 -0.310 1.00 24.41 C ATOM 477 O PRO A 30 12.610 -13.081 0.599 1.00 30.54 O ATOM 478 CB PRO A 30 11.940 -9.903 0.446 1.00 24.41 C ATOM 479 CG PRO A 30 11.135 -9.328 -0.671 1.00 65.24 C ATOM 480 CD PRO A 30 12.115 -9.154 -1.810 1.00 23.34 C ATOM 0 HA PRO A 30 13.887 -10.941 0.269 1.00 13.33 H new ATOM 0 HB2 PRO A 30 11.309 -10.435 1.158 1.00 24.41 H new ATOM 0 HB3 PRO A 30 12.462 -9.124 1.002 1.00 24.41 H new ATOM 0 HG2 PRO A 30 10.318 -9.993 -0.951 1.00 65.24 H new ATOM 0 HG3 PRO A 30 10.688 -8.376 -0.386 1.00 65.24 H new ATOM 0 HD2 PRO A 30 11.620 -9.210 -2.779 1.00 23.34 H new ATOM 0 HD3 PRO A 30 12.618 -8.188 -1.765 1.00 23.34 H new ATOM 488 N ILE A 31 11.603 -12.565 -1.391 1.00 2.23 N ATOM 489 CA ILE A 31 11.023 -13.879 -1.682 1.00 13.21 C ATOM 490 C ILE A 31 12.155 -14.938 -1.706 1.00 53.54 C ATOM 491 O ILE A 31 12.966 -14.908 -2.627 1.00 13.32 O ATOM 492 CB ILE A 31 10.263 -13.871 -3.071 1.00 54.44 C ATOM 493 CG1 ILE A 31 9.268 -12.659 -3.175 1.00 43.21 C ATOM 494 CG2 ILE A 31 9.528 -15.212 -3.313 1.00 14.24 C ATOM 495 CD1 ILE A 31 8.097 -12.676 -2.193 1.00 32.21 C ATOM 0 H ILE A 31 11.370 -11.862 -2.092 1.00 2.23 H new ATOM 0 HA ILE A 31 10.299 -14.124 -0.904 1.00 13.21 H new ATOM 0 HB ILE A 31 11.013 -13.752 -3.853 1.00 54.44 H new ATOM 0 HG12 ILE A 31 9.830 -11.737 -3.025 1.00 43.21 H new ATOM 0 HG13 ILE A 31 8.868 -12.627 -4.188 1.00 43.21 H new ATOM 0 HG21 ILE A 31 9.015 -15.177 -4.274 1.00 14.24 H new ATOM 0 HG22 ILE A 31 10.251 -16.028 -3.317 1.00 14.24 H new ATOM 0 HG23 ILE A 31 8.800 -15.376 -2.519 1.00 14.24 H new ATOM 0 HD11 ILE A 31 7.475 -11.795 -2.353 1.00 32.21 H new ATOM 0 HD12 ILE A 31 7.501 -13.574 -2.353 1.00 32.21 H new ATOM 0 HD13 ILE A 31 8.478 -12.671 -1.172 1.00 32.21 H new ATOM 507 N PRO A 32 12.256 -15.844 -0.672 1.00 13.42 N ATOM 508 CA PRO A 32 13.386 -16.814 -0.534 1.00 64.11 C ATOM 509 C PRO A 32 13.526 -17.765 -1.751 1.00 42.15 C ATOM 510 O PRO A 32 12.569 -17.905 -2.516 1.00 14.54 O ATOM 511 CB PRO A 32 13.019 -17.602 0.761 1.00 2.43 C ATOM 512 CG PRO A 32 12.102 -16.695 1.508 1.00 64.53 C ATOM 513 CD PRO A 32 11.290 -15.991 0.452 1.00 52.51 C ATOM 0 HA PRO A 32 14.351 -16.310 -0.484 1.00 64.11 H new ATOM 0 HB2 PRO A 32 12.534 -18.549 0.524 1.00 2.43 H new ATOM 0 HB3 PRO A 32 13.908 -17.837 1.347 1.00 2.43 H new ATOM 0 HG2 PRO A 32 11.461 -17.257 2.187 1.00 64.53 H new ATOM 0 HG3 PRO A 32 12.662 -15.982 2.114 1.00 64.53 H new ATOM 0 HD2 PRO A 32 10.416 -16.574 0.160 1.00 52.51 H new ATOM 0 HD3 PRO A 32 10.926 -15.024 0.800 1.00 52.51 H new ATOM 521 N PRO A 33 14.720 -18.436 -1.943 1.00 13.51 N ATOM 522 CA PRO A 33 14.946 -19.404 -3.058 1.00 13.30 C ATOM 523 C PRO A 33 13.885 -20.534 -3.107 1.00 1.12 C ATOM 524 O PRO A 33 13.545 -21.028 -4.185 1.00 53.11 O ATOM 525 CB PRO A 33 16.373 -19.965 -2.771 1.00 62.13 C ATOM 526 CG PRO A 33 16.669 -19.591 -1.348 1.00 50.01 C ATOM 527 CD PRO A 33 15.951 -18.286 -1.114 1.00 25.40 C ATOM 0 HA PRO A 33 14.860 -18.926 -4.034 1.00 13.30 H new ATOM 0 HB2 PRO A 33 16.405 -21.046 -2.908 1.00 62.13 H new ATOM 0 HB3 PRO A 33 17.108 -19.535 -3.451 1.00 62.13 H new ATOM 0 HG2 PRO A 33 16.319 -20.360 -0.660 1.00 50.01 H new ATOM 0 HG3 PRO A 33 17.741 -19.483 -1.186 1.00 50.01 H new ATOM 0 HD2 PRO A 33 15.714 -18.137 -0.060 1.00 25.40 H new ATOM 0 HD3 PRO A 33 16.550 -17.432 -1.430 1.00 25.40 H new ATOM 535 N GLU A 34 13.360 -20.904 -1.925 1.00 31.04 N ATOM 536 CA GLU A 34 12.357 -21.980 -1.776 1.00 21.24 C ATOM 537 C GLU A 34 10.948 -21.502 -2.209 1.00 50.33 C ATOM 538 O GLU A 34 10.213 -22.257 -2.852 1.00 31.02 O ATOM 539 CB GLU A 34 12.364 -22.516 -0.318 1.00 3.41 C ATOM 540 CG GLU A 34 12.122 -21.458 0.772 1.00 33.01 C ATOM 541 CD GLU A 34 12.364 -21.994 2.185 1.00 63.21 C ATOM 542 OE1 GLU A 34 11.543 -22.797 2.676 1.00 24.45 O ATOM 543 OE2 GLU A 34 13.384 -21.639 2.804 1.00 21.44 O ATOM 0 H GLU A 34 13.619 -20.465 -1.042 1.00 31.04 H new ATOM 0 HA GLU A 34 12.626 -22.802 -2.440 1.00 21.24 H new ATOM 0 HB2 GLU A 34 11.599 -23.288 -0.228 1.00 3.41 H new ATOM 0 HB3 GLU A 34 13.325 -22.995 -0.129 1.00 3.41 H new ATOM 0 HG2 GLU A 34 12.777 -20.605 0.595 1.00 33.01 H new ATOM 0 HG3 GLU A 34 11.097 -21.094 0.697 1.00 33.01 H new ATOM 550 N GLU A 35 10.580 -20.255 -1.845 1.00 61.23 N ATOM 551 CA GLU A 35 9.310 -19.626 -2.284 1.00 31.54 C ATOM 552 C GLU A 35 9.318 -19.360 -3.800 1.00 52.31 C ATOM 553 O GLU A 35 8.409 -19.800 -4.511 1.00 64.42 O ATOM 554 CB GLU A 35 9.013 -18.310 -1.481 1.00 32.42 C ATOM 555 CG GLU A 35 8.219 -18.500 -0.166 1.00 25.24 C ATOM 556 CD GLU A 35 8.899 -19.456 0.827 1.00 50.11 C ATOM 557 OE1 GLU A 35 9.815 -19.023 1.542 1.00 31.23 O ATOM 558 OE2 GLU A 35 8.534 -20.641 0.881 1.00 63.10 O ATOM 0 H GLU A 35 11.148 -19.658 -1.244 1.00 61.23 H new ATOM 0 HA GLU A 35 8.505 -20.329 -2.071 1.00 31.54 H new ATOM 0 HB2 GLU A 35 9.961 -17.826 -1.247 1.00 32.42 H new ATOM 0 HB3 GLU A 35 8.458 -17.629 -2.126 1.00 32.42 H new ATOM 0 HG2 GLU A 35 8.083 -17.529 0.311 1.00 25.24 H new ATOM 0 HG3 GLU A 35 7.225 -18.881 -0.402 1.00 25.24 H new ATOM 565 N ARG A 36 10.368 -18.674 -4.302 1.00 41.21 N ATOM 566 CA ARG A 36 10.457 -18.258 -5.721 1.00 70.31 C ATOM 567 C ARG A 36 10.636 -19.466 -6.667 1.00 34.11 C ATOM 568 O ARG A 36 10.432 -19.341 -7.877 1.00 74.45 O ATOM 569 CB ARG A 36 11.601 -17.217 -5.933 1.00 72.25 C ATOM 570 CG ARG A 36 13.034 -17.795 -5.888 1.00 62.15 C ATOM 571 CD ARG A 36 14.134 -16.736 -6.127 1.00 22.31 C ATOM 572 NE ARG A 36 14.319 -15.839 -4.974 1.00 45.12 N ATOM 573 CZ ARG A 36 15.318 -14.944 -4.839 1.00 63.32 C ATOM 574 NH1 ARG A 36 16.236 -14.791 -5.786 1.00 51.23 N ATOM 575 NH2 ARG A 36 15.399 -14.212 -3.739 1.00 12.22 N ATOM 0 H ARG A 36 11.173 -18.394 -3.741 1.00 41.21 H new ATOM 0 HA ARG A 36 9.509 -17.782 -5.973 1.00 70.31 H new ATOM 0 HB2 ARG A 36 11.453 -16.730 -6.897 1.00 72.25 H new ATOM 0 HB3 ARG A 36 11.514 -16.445 -5.169 1.00 72.25 H new ATOM 0 HG2 ARG A 36 13.197 -18.265 -4.918 1.00 62.15 H new ATOM 0 HG3 ARG A 36 13.125 -18.578 -6.641 1.00 62.15 H new ATOM 0 HD2 ARG A 36 15.076 -17.239 -6.345 1.00 22.31 H new ATOM 0 HD3 ARG A 36 13.878 -16.144 -7.005 1.00 22.31 H new ATOM 0 HE ARG A 36 13.637 -15.900 -4.218 1.00 45.12 H new ATOM 0 HH11 ARG A 36 16.193 -15.356 -6.634 1.00 51.23 H new ATOM 0 HH12 ARG A 36 16.984 -14.108 -5.665 1.00 51.23 H new ATOM 0 HH21 ARG A 36 14.707 -14.326 -2.998 1.00 12.22 H new ATOM 0 HH22 ARG A 36 16.153 -13.534 -3.632 1.00 12.22 H new ATOM 589 N ASP A 37 11.038 -20.616 -6.091 1.00 23.42 N ATOM 590 CA ASP A 37 11.095 -21.920 -6.791 1.00 61.50 C ATOM 591 C ASP A 37 9.741 -22.225 -7.452 1.00 72.34 C ATOM 592 O ASP A 37 9.668 -22.506 -8.650 1.00 4.32 O ATOM 593 CB ASP A 37 11.468 -23.029 -5.763 1.00 54.53 C ATOM 594 CG ASP A 37 11.348 -24.474 -6.294 1.00 72.35 C ATOM 595 OD1 ASP A 37 12.314 -24.987 -6.883 1.00 35.54 O ATOM 596 OD2 ASP A 37 10.277 -25.106 -6.117 1.00 40.11 O ATOM 0 H ASP A 37 11.336 -20.669 -5.117 1.00 23.42 H new ATOM 0 HA ASP A 37 11.853 -21.887 -7.574 1.00 61.50 H new ATOM 0 HB2 ASP A 37 12.492 -22.864 -5.428 1.00 54.53 H new ATOM 0 HB3 ASP A 37 10.826 -22.924 -4.888 1.00 54.53 H new ATOM 601 N ASP A 38 8.672 -22.150 -6.650 1.00 23.34 N ATOM 602 CA ASP A 38 7.305 -22.420 -7.119 1.00 43.24 C ATOM 603 C ASP A 38 6.666 -21.164 -7.755 1.00 74.03 C ATOM 604 O ASP A 38 5.883 -21.275 -8.701 1.00 53.35 O ATOM 605 CB ASP A 38 6.443 -22.939 -5.947 1.00 52.33 C ATOM 606 CG ASP A 38 5.071 -23.461 -6.398 1.00 20.42 C ATOM 607 OD1 ASP A 38 4.998 -24.603 -6.897 1.00 42.53 O ATOM 608 OD2 ASP A 38 4.060 -22.733 -6.271 1.00 0.10 O ATOM 0 H ASP A 38 8.728 -21.902 -5.662 1.00 23.34 H new ATOM 0 HA ASP A 38 7.353 -23.186 -7.893 1.00 43.24 H new ATOM 0 HB2 ASP A 38 6.979 -23.738 -5.434 1.00 52.33 H new ATOM 0 HB3 ASP A 38 6.301 -22.136 -5.224 1.00 52.33 H new ATOM 613 N PHE A 39 7.005 -19.973 -7.229 1.00 0.15 N ATOM 614 CA PHE A 39 6.419 -18.698 -7.701 1.00 25.40 C ATOM 615 C PHE A 39 7.510 -17.847 -8.374 1.00 54.52 C ATOM 616 O PHE A 39 8.303 -17.187 -7.694 1.00 13.41 O ATOM 617 CB PHE A 39 5.801 -17.919 -6.497 1.00 34.14 C ATOM 618 CG PHE A 39 4.820 -18.745 -5.650 1.00 74.31 C ATOM 619 CD1 PHE A 39 3.496 -18.909 -6.046 1.00 23.52 C ATOM 620 CD2 PHE A 39 5.235 -19.375 -4.471 1.00 33.51 C ATOM 621 CE1 PHE A 39 2.616 -19.667 -5.296 1.00 22.22 C ATOM 622 CE2 PHE A 39 4.355 -20.136 -3.724 1.00 31.35 C ATOM 623 CZ PHE A 39 3.047 -20.282 -4.135 1.00 3.53 C ATOM 0 H PHE A 39 7.683 -19.863 -6.475 1.00 0.15 H new ATOM 0 HA PHE A 39 5.632 -18.910 -8.425 1.00 25.40 H new ATOM 0 HB2 PHE A 39 6.608 -17.564 -5.856 1.00 34.14 H new ATOM 0 HB3 PHE A 39 5.284 -17.038 -6.876 1.00 34.14 H new ATOM 0 HD1 PHE A 39 3.150 -18.437 -6.954 1.00 23.52 H new ATOM 0 HD2 PHE A 39 6.257 -19.265 -4.140 1.00 33.51 H new ATOM 0 HE1 PHE A 39 1.591 -19.779 -5.617 1.00 22.22 H new ATOM 0 HE2 PHE A 39 4.692 -20.617 -2.818 1.00 31.35 H new ATOM 0 HZ PHE A 39 2.360 -20.876 -3.551 1.00 3.53 H new ATOM 633 N ASP A 40 7.510 -17.815 -9.714 1.00 23.10 N ATOM 634 CA ASP A 40 8.468 -16.999 -10.481 1.00 72.14 C ATOM 635 C ASP A 40 7.832 -15.624 -10.755 1.00 25.34 C ATOM 636 O ASP A 40 7.199 -15.387 -11.781 1.00 53.11 O ATOM 637 CB ASP A 40 8.942 -17.740 -11.775 1.00 1.41 C ATOM 638 CG ASP A 40 7.808 -18.213 -12.706 1.00 3.05 C ATOM 639 OD1 ASP A 40 7.167 -19.236 -12.397 1.00 34.43 O ATOM 640 OD2 ASP A 40 7.556 -17.574 -13.753 1.00 22.13 O ATOM 0 H ASP A 40 6.857 -18.345 -10.292 1.00 23.10 H new ATOM 0 HA ASP A 40 9.377 -16.839 -9.902 1.00 72.14 H new ATOM 0 HB2 ASP A 40 9.599 -17.076 -12.336 1.00 1.41 H new ATOM 0 HB3 ASP A 40 9.537 -18.605 -11.483 1.00 1.41 H new ATOM 645 N GLY A 41 7.959 -14.746 -9.752 1.00 34.54 N ATOM 646 CA GLY A 41 7.370 -13.411 -9.779 1.00 21.24 C ATOM 647 C GLY A 41 7.060 -12.907 -8.375 1.00 11.40 C ATOM 648 O GLY A 41 7.160 -13.672 -7.402 1.00 41.33 O ATOM 0 H GLY A 41 8.477 -14.948 -8.897 1.00 34.54 H new ATOM 0 HA2 GLY A 41 8.055 -12.720 -10.271 1.00 21.24 H new ATOM 0 HA3 GLY A 41 6.455 -13.428 -10.371 1.00 21.24 H new ATOM 652 N LEU A 42 6.670 -11.623 -8.267 1.00 62.02 N ATOM 653 CA LEU A 42 6.234 -11.016 -6.988 1.00 74.14 C ATOM 654 C LEU A 42 4.951 -11.738 -6.510 1.00 10.42 C ATOM 655 O LEU A 42 3.927 -11.688 -7.195 1.00 20.31 O ATOM 656 CB LEU A 42 5.973 -9.481 -7.185 1.00 23.21 C ATOM 657 CG LEU A 42 6.162 -8.526 -5.941 1.00 44.34 C ATOM 658 CD1 LEU A 42 5.657 -7.099 -6.256 1.00 53.13 C ATOM 659 CD2 LEU A 42 5.529 -9.065 -4.635 1.00 34.50 C ATOM 0 H LEU A 42 6.647 -10.978 -9.057 1.00 62.02 H new ATOM 0 HA LEU A 42 7.012 -11.129 -6.233 1.00 74.14 H new ATOM 0 HB2 LEU A 42 6.634 -9.130 -7.978 1.00 23.21 H new ATOM 0 HB3 LEU A 42 4.951 -9.361 -7.545 1.00 23.21 H new ATOM 0 HG LEU A 42 7.235 -8.489 -5.756 1.00 44.34 H new ATOM 0 HD11 LEU A 42 5.799 -6.462 -5.383 1.00 53.13 H new ATOM 0 HD12 LEU A 42 6.218 -6.692 -7.097 1.00 53.13 H new ATOM 0 HD13 LEU A 42 4.598 -7.136 -6.510 1.00 53.13 H new ATOM 0 HD21 LEU A 42 5.701 -8.354 -3.827 1.00 34.50 H new ATOM 0 HD22 LEU A 42 4.457 -9.199 -4.779 1.00 34.50 H new ATOM 0 HD23 LEU A 42 5.983 -10.022 -4.379 1.00 34.50 H new ATOM 671 N SER A 43 5.041 -12.456 -5.377 1.00 13.53 N ATOM 672 CA SER A 43 3.873 -13.067 -4.722 1.00 20.44 C ATOM 673 C SER A 43 3.138 -12.023 -3.854 1.00 42.03 C ATOM 674 O SER A 43 3.710 -11.516 -2.889 1.00 40.23 O ATOM 675 CB SER A 43 4.333 -14.257 -3.851 1.00 31.12 C ATOM 676 OG SER A 43 5.106 -15.177 -4.607 1.00 43.24 O ATOM 0 H SER A 43 5.922 -12.628 -4.892 1.00 13.53 H new ATOM 0 HA SER A 43 3.183 -13.427 -5.486 1.00 20.44 H new ATOM 0 HB2 SER A 43 4.920 -13.890 -3.009 1.00 31.12 H new ATOM 0 HB3 SER A 43 3.463 -14.765 -3.435 1.00 31.12 H new ATOM 0 HG SER A 43 5.386 -15.920 -4.032 1.00 43.24 H new ATOM 682 N TYR A 44 1.867 -11.733 -4.204 1.00 0.25 N ATOM 683 CA TYR A 44 1.023 -10.754 -3.484 1.00 22.31 C ATOM 684 C TYR A 44 -0.469 -10.939 -3.864 1.00 11.14 C ATOM 685 O TYR A 44 -0.835 -11.934 -4.507 1.00 41.40 O ATOM 686 CB TYR A 44 1.515 -9.284 -3.758 1.00 52.35 C ATOM 687 CG TYR A 44 1.348 -8.788 -5.217 1.00 24.31 C ATOM 688 CD1 TYR A 44 2.203 -9.217 -6.228 1.00 2.32 C ATOM 689 CD2 TYR A 44 0.324 -7.906 -5.574 1.00 10.10 C ATOM 690 CE1 TYR A 44 2.050 -8.795 -7.529 1.00 11.34 C ATOM 691 CE2 TYR A 44 0.162 -7.483 -6.879 1.00 43.32 C ATOM 692 CZ TYR A 44 1.025 -7.932 -7.854 1.00 64.35 C ATOM 693 OH TYR A 44 0.875 -7.489 -9.155 1.00 72.13 O ATOM 0 H TYR A 44 1.396 -12.172 -4.995 1.00 0.25 H new ATOM 0 HA TYR A 44 1.117 -10.935 -2.413 1.00 22.31 H new ATOM 0 HB2 TYR A 44 0.971 -8.608 -3.098 1.00 52.35 H new ATOM 0 HB3 TYR A 44 2.569 -9.215 -3.487 1.00 52.35 H new ATOM 0 HD1 TYR A 44 3.006 -9.897 -5.986 1.00 2.32 H new ATOM 0 HD2 TYR A 44 -0.354 -7.548 -4.814 1.00 10.10 H new ATOM 0 HE1 TYR A 44 2.731 -9.139 -8.293 1.00 11.34 H new ATOM 0 HE2 TYR A 44 -0.638 -6.803 -7.134 1.00 43.32 H new ATOM 0 HH TYR A 44 1.748 -7.227 -9.514 1.00 72.13 H new ATOM 703 N PHE A 45 -1.312 -9.970 -3.445 1.00 11.12 N ATOM 704 CA PHE A 45 -2.764 -9.973 -3.714 1.00 54.24 C ATOM 705 C PHE A 45 -3.037 -9.724 -5.210 1.00 61.21 C ATOM 706 O PHE A 45 -2.570 -8.734 -5.775 1.00 60.31 O ATOM 707 CB PHE A 45 -3.471 -8.894 -2.849 1.00 55.44 C ATOM 708 CG PHE A 45 -3.473 -9.197 -1.345 1.00 52.10 C ATOM 709 CD1 PHE A 45 -2.330 -9.010 -0.566 1.00 15.24 C ATOM 710 CD2 PHE A 45 -4.620 -9.688 -0.717 1.00 42.41 C ATOM 711 CE1 PHE A 45 -2.338 -9.297 0.786 1.00 41.41 C ATOM 712 CE2 PHE A 45 -4.624 -9.978 0.631 1.00 42.42 C ATOM 713 CZ PHE A 45 -3.484 -9.784 1.381 1.00 14.42 C ATOM 0 H PHE A 45 -1.001 -9.160 -2.908 1.00 11.12 H new ATOM 0 HA PHE A 45 -3.164 -10.952 -3.450 1.00 54.24 H new ATOM 0 HB2 PHE A 45 -2.982 -7.934 -3.014 1.00 55.44 H new ATOM 0 HB3 PHE A 45 -4.501 -8.790 -3.189 1.00 55.44 H new ATOM 0 HD1 PHE A 45 -1.427 -8.636 -1.026 1.00 15.24 H new ATOM 0 HD2 PHE A 45 -5.518 -9.843 -1.297 1.00 42.41 H new ATOM 0 HE1 PHE A 45 -1.448 -9.140 1.377 1.00 41.41 H new ATOM 0 HE2 PHE A 45 -5.520 -10.357 1.099 1.00 42.42 H new ATOM 0 HZ PHE A 45 -3.488 -10.014 2.436 1.00 14.42 H new ATOM 723 N ASP A 46 -3.819 -10.610 -5.833 1.00 45.22 N ATOM 724 CA ASP A 46 -4.125 -10.530 -7.271 1.00 4.12 C ATOM 725 C ASP A 46 -5.411 -9.671 -7.469 1.00 53.42 C ATOM 726 O ASP A 46 -6.353 -9.826 -6.682 1.00 32.44 O ATOM 727 CB ASP A 46 -4.278 -11.965 -7.849 1.00 54.34 C ATOM 728 CG ASP A 46 -4.640 -12.001 -9.343 1.00 44.23 C ATOM 729 OD1 ASP A 46 -3.748 -11.784 -10.187 1.00 35.44 O ATOM 730 OD2 ASP A 46 -5.817 -12.226 -9.679 1.00 44.44 O ATOM 0 H ASP A 46 -4.258 -11.401 -5.361 1.00 45.22 H new ATOM 0 HA ASP A 46 -3.313 -10.046 -7.813 1.00 4.12 H new ATOM 0 HB2 ASP A 46 -3.345 -12.508 -7.698 1.00 54.34 H new ATOM 0 HB3 ASP A 46 -5.048 -12.492 -7.286 1.00 54.34 H new ATOM 735 N PRO A 47 -5.418 -8.713 -8.476 1.00 73.11 N ATOM 736 CA PRO A 47 -6.543 -7.784 -8.761 1.00 60.33 C ATOM 737 C PRO A 47 -7.958 -8.388 -8.590 1.00 65.51 C ATOM 738 O PRO A 47 -8.422 -9.191 -9.409 1.00 10.32 O ATOM 739 CB PRO A 47 -6.279 -7.390 -10.225 1.00 53.43 C ATOM 740 CG PRO A 47 -4.791 -7.384 -10.358 1.00 32.54 C ATOM 741 CD PRO A 47 -4.270 -8.411 -9.373 1.00 23.23 C ATOM 0 HA PRO A 47 -6.559 -6.956 -8.053 1.00 60.33 H new ATOM 0 HB2 PRO A 47 -6.735 -8.101 -10.914 1.00 53.43 H new ATOM 0 HB3 PRO A 47 -6.700 -6.411 -10.453 1.00 53.43 H new ATOM 0 HG2 PRO A 47 -4.491 -7.634 -11.376 1.00 32.54 H new ATOM 0 HG3 PRO A 47 -4.385 -6.396 -10.140 1.00 32.54 H new ATOM 0 HD2 PRO A 47 -3.925 -9.309 -9.886 1.00 23.23 H new ATOM 0 HD3 PRO A 47 -3.423 -8.021 -8.809 1.00 23.23 H new ATOM 749 N ASP A 48 -8.616 -7.980 -7.508 1.00 20.41 N ATOM 750 CA ASP A 48 -9.944 -8.470 -7.106 1.00 22.32 C ATOM 751 C ASP A 48 -10.910 -7.257 -7.026 1.00 21.31 C ATOM 752 O ASP A 48 -10.663 -6.333 -6.243 1.00 43.03 O ATOM 753 CB ASP A 48 -9.830 -9.199 -5.737 1.00 0.30 C ATOM 754 CG ASP A 48 -11.135 -9.878 -5.276 1.00 61.41 C ATOM 755 OD1 ASP A 48 -12.063 -9.168 -4.840 1.00 65.53 O ATOM 756 OD2 ASP A 48 -11.239 -11.125 -5.349 1.00 15.13 O ATOM 0 H ASP A 48 -8.237 -7.283 -6.867 1.00 20.41 H new ATOM 0 HA ASP A 48 -10.334 -9.182 -7.833 1.00 22.32 H new ATOM 0 HB2 ASP A 48 -9.045 -9.952 -5.803 1.00 0.30 H new ATOM 0 HB3 ASP A 48 -9.520 -8.480 -4.979 1.00 0.30 H new ATOM 761 N PRO A 49 -12.034 -7.251 -7.811 1.00 53.32 N ATOM 762 CA PRO A 49 -12.932 -6.063 -7.951 1.00 13.23 C ATOM 763 C PRO A 49 -13.566 -5.582 -6.612 1.00 72.33 C ATOM 764 O PRO A 49 -13.819 -4.382 -6.437 1.00 43.52 O ATOM 765 CB PRO A 49 -14.020 -6.570 -8.938 1.00 10.42 C ATOM 766 CG PRO A 49 -13.970 -8.065 -8.853 1.00 2.34 C ATOM 767 CD PRO A 49 -12.524 -8.404 -8.614 1.00 33.23 C ATOM 0 HA PRO A 49 -12.384 -5.186 -8.295 1.00 13.23 H new ATOM 0 HB2 PRO A 49 -15.005 -6.194 -8.663 1.00 10.42 H new ATOM 0 HB3 PRO A 49 -13.820 -6.227 -9.953 1.00 10.42 H new ATOM 0 HG2 PRO A 49 -14.599 -8.434 -8.043 1.00 2.34 H new ATOM 0 HG3 PRO A 49 -14.334 -8.523 -9.773 1.00 2.34 H new ATOM 0 HD2 PRO A 49 -12.415 -9.345 -8.076 1.00 33.23 H new ATOM 0 HD3 PRO A 49 -11.974 -8.506 -9.550 1.00 33.23 H new ATOM 775 N ASP A 50 -13.801 -6.528 -5.687 1.00 4.41 N ATOM 776 CA ASP A 50 -14.545 -6.290 -4.423 1.00 63.22 C ATOM 777 C ASP A 50 -13.758 -5.459 -3.383 1.00 61.31 C ATOM 778 O ASP A 50 -14.322 -5.090 -2.351 1.00 44.01 O ATOM 779 CB ASP A 50 -14.949 -7.654 -3.798 1.00 11.33 C ATOM 780 CG ASP A 50 -15.755 -8.552 -4.757 1.00 63.13 C ATOM 781 OD1 ASP A 50 -15.139 -9.260 -5.585 1.00 51.21 O ATOM 782 OD2 ASP A 50 -17.004 -8.556 -4.692 1.00 13.01 O ATOM 0 H ASP A 50 -13.480 -7.491 -5.790 1.00 4.41 H new ATOM 0 HA ASP A 50 -15.425 -5.702 -4.686 1.00 63.22 H new ATOM 0 HB2 ASP A 50 -14.049 -8.184 -3.487 1.00 11.33 H new ATOM 0 HB3 ASP A 50 -15.539 -7.473 -2.899 1.00 11.33 H new ATOM 787 N TYR A 51 -12.464 -5.180 -3.634 1.00 35.23 N ATOM 788 CA TYR A 51 -11.624 -4.369 -2.712 1.00 23.21 C ATOM 789 C TYR A 51 -11.137 -3.079 -3.370 1.00 44.33 C ATOM 790 O TYR A 51 -10.154 -2.469 -2.920 1.00 65.12 O ATOM 791 CB TYR A 51 -10.459 -5.218 -2.141 1.00 33.22 C ATOM 792 CG TYR A 51 -10.945 -6.169 -1.038 1.00 24.54 C ATOM 793 CD1 TYR A 51 -11.352 -5.654 0.200 1.00 15.51 C ATOM 794 CD2 TYR A 51 -11.046 -7.546 -1.233 1.00 63.12 C ATOM 795 CE1 TYR A 51 -11.826 -6.476 1.196 1.00 21.14 C ATOM 796 CE2 TYR A 51 -11.525 -8.368 -0.233 1.00 73.01 C ATOM 797 CZ TYR A 51 -11.911 -7.832 0.975 1.00 4.53 C ATOM 798 OH TYR A 51 -12.384 -8.662 1.967 1.00 24.25 O ATOM 0 H TYR A 51 -11.971 -5.502 -4.467 1.00 35.23 H new ATOM 0 HA TYR A 51 -12.247 -4.063 -1.871 1.00 23.21 H new ATOM 0 HB2 TYR A 51 -10.000 -5.795 -2.944 1.00 33.22 H new ATOM 0 HB3 TYR A 51 -9.689 -4.559 -1.741 1.00 33.22 H new ATOM 0 HD1 TYR A 51 -11.292 -4.590 0.376 1.00 15.51 H new ATOM 0 HD2 TYR A 51 -10.746 -7.974 -2.178 1.00 63.12 H new ATOM 0 HE1 TYR A 51 -12.130 -6.060 2.145 1.00 21.14 H new ATOM 0 HE2 TYR A 51 -11.597 -9.433 -0.398 1.00 73.01 H new ATOM 0 HH TYR A 51 -12.380 -9.589 1.648 1.00 24.25 H new ATOM 808 N ARG A 52 -11.844 -2.666 -4.424 1.00 72.41 N ATOM 809 CA ARG A 52 -11.733 -1.312 -4.973 1.00 63.22 C ATOM 810 C ARG A 52 -12.862 -0.466 -4.365 1.00 33.23 C ATOM 811 O ARG A 52 -14.036 -0.683 -4.681 1.00 71.40 O ATOM 812 CB ARG A 52 -11.809 -1.337 -6.526 1.00 5.51 C ATOM 813 CG ARG A 52 -11.676 0.061 -7.185 1.00 1.22 C ATOM 814 CD ARG A 52 -11.443 0.025 -8.709 1.00 33.12 C ATOM 815 NE ARG A 52 -12.614 -0.438 -9.485 1.00 64.21 N ATOM 816 CZ ARG A 52 -12.778 -1.678 -9.979 1.00 22.51 C ATOM 817 NH1 ARG A 52 -11.863 -2.619 -9.781 1.00 44.43 N ATOM 818 NH2 ARG A 52 -13.853 -1.955 -10.696 1.00 54.32 N ATOM 0 H ARG A 52 -12.509 -3.259 -4.921 1.00 72.41 H new ATOM 0 HA ARG A 52 -10.768 -0.875 -4.717 1.00 63.22 H new ATOM 0 HB2 ARG A 52 -11.020 -1.984 -6.908 1.00 5.51 H new ATOM 0 HB3 ARG A 52 -12.758 -1.780 -6.826 1.00 5.51 H new ATOM 0 HG2 ARG A 52 -12.581 0.633 -6.981 1.00 1.22 H new ATOM 0 HG3 ARG A 52 -10.849 0.594 -6.715 1.00 1.22 H new ATOM 0 HD2 ARG A 52 -11.167 1.024 -9.048 1.00 33.12 H new ATOM 0 HD3 ARG A 52 -10.597 -0.629 -8.922 1.00 33.12 H new ATOM 0 HE ARG A 52 -13.357 0.238 -9.660 1.00 64.21 H new ATOM 0 HH11 ARG A 52 -11.020 -2.407 -9.247 1.00 44.43 H new ATOM 0 HH12 ARG A 52 -12.003 -3.555 -10.163 1.00 44.43 H new ATOM 0 HH21 ARG A 52 -14.550 -1.231 -10.871 1.00 54.32 H new ATOM 0 HH22 ARG A 52 -13.986 -2.893 -11.075 1.00 54.32 H new ATOM 832 N VAL A 53 -12.514 0.438 -3.424 1.00 62.31 N ATOM 833 CA VAL A 53 -13.484 1.361 -2.785 1.00 4.04 C ATOM 834 C VAL A 53 -13.072 2.812 -3.066 1.00 51.04 C ATOM 835 O VAL A 53 -11.889 3.106 -3.224 1.00 51.21 O ATOM 836 CB VAL A 53 -13.617 1.118 -1.223 1.00 34.23 C ATOM 837 CG1 VAL A 53 -13.976 -0.357 -0.908 1.00 64.21 C ATOM 838 CG2 VAL A 53 -12.349 1.568 -0.441 1.00 14.11 C ATOM 0 H VAL A 53 -11.558 0.550 -3.086 1.00 62.31 H new ATOM 0 HA VAL A 53 -14.464 1.162 -3.218 1.00 4.04 H new ATOM 0 HB VAL A 53 -14.439 1.745 -0.879 1.00 34.23 H new ATOM 0 HG11 VAL A 53 -14.059 -0.489 0.171 1.00 64.21 H new ATOM 0 HG12 VAL A 53 -14.926 -0.609 -1.379 1.00 64.21 H new ATOM 0 HG13 VAL A 53 -13.195 -1.012 -1.294 1.00 64.21 H new ATOM 0 HG21 VAL A 53 -12.492 1.380 0.623 1.00 14.11 H new ATOM 0 HG22 VAL A 53 -11.485 1.007 -0.796 1.00 14.11 H new ATOM 0 HG23 VAL A 53 -12.181 2.633 -0.602 1.00 14.11 H new ATOM 848 N GLU A 54 -14.054 3.712 -3.164 1.00 62.23 N ATOM 849 CA GLU A 54 -13.799 5.150 -3.347 1.00 12.12 C ATOM 850 C GLU A 54 -13.708 5.841 -1.968 1.00 45.32 C ATOM 851 O GLU A 54 -14.423 5.474 -1.030 1.00 2.22 O ATOM 852 CB GLU A 54 -14.901 5.766 -4.248 1.00 42.44 C ATOM 853 CG GLU A 54 -16.339 5.692 -3.682 1.00 33.31 C ATOM 854 CD GLU A 54 -17.394 6.233 -4.659 1.00 11.12 C ATOM 855 OE1 GLU A 54 -17.529 7.465 -4.767 1.00 52.31 O ATOM 856 OE2 GLU A 54 -18.074 5.431 -5.337 1.00 52.41 O ATOM 0 H GLU A 54 -15.044 3.470 -3.120 1.00 62.23 H new ATOM 0 HA GLU A 54 -12.845 5.303 -3.851 1.00 12.12 H new ATOM 0 HB2 GLU A 54 -14.654 6.812 -4.431 1.00 42.44 H new ATOM 0 HB3 GLU A 54 -14.882 5.260 -5.213 1.00 42.44 H new ATOM 0 HG2 GLU A 54 -16.575 4.656 -3.437 1.00 33.31 H new ATOM 0 HG3 GLU A 54 -16.388 6.259 -2.752 1.00 33.31 H new ATOM 863 N ALA A 55 -12.813 6.836 -1.853 1.00 4.42 N ATOM 864 CA ALA A 55 -12.456 7.457 -0.561 1.00 54.24 C ATOM 865 C ALA A 55 -12.238 8.970 -0.696 1.00 34.31 C ATOM 866 O ALA A 55 -11.970 9.478 -1.789 1.00 45.22 O ATOM 867 CB ALA A 55 -11.195 6.788 0.006 1.00 30.03 C ATOM 0 H ALA A 55 -12.316 7.234 -2.650 1.00 4.42 H new ATOM 0 HA ALA A 55 -13.290 7.307 0.125 1.00 54.24 H new ATOM 0 HB1 ALA A 55 -10.936 7.249 0.959 1.00 30.03 H new ATOM 0 HB2 ALA A 55 -11.384 5.725 0.157 1.00 30.03 H new ATOM 0 HB3 ALA A 55 -10.370 6.914 -0.695 1.00 30.03 H new ATOM 873 N THR A 56 -12.370 9.678 0.435 1.00 55.25 N ATOM 874 CA THR A 56 -12.129 11.127 0.535 1.00 3.55 C ATOM 875 C THR A 56 -10.768 11.393 1.219 1.00 24.31 C ATOM 876 O THR A 56 -10.480 10.836 2.284 1.00 14.34 O ATOM 877 CB THR A 56 -13.280 11.814 1.346 1.00 41.30 C ATOM 878 OG1 THR A 56 -14.551 11.472 0.764 1.00 52.23 O ATOM 879 CG2 THR A 56 -13.145 13.350 1.387 1.00 11.05 C ATOM 0 H THR A 56 -12.651 9.255 1.320 1.00 55.25 H new ATOM 0 HA THR A 56 -12.109 11.548 -0.470 1.00 3.55 H new ATOM 0 HB THR A 56 -13.210 11.448 2.370 1.00 41.30 H new ATOM 0 HG1 THR A 56 -15.270 11.901 1.273 1.00 52.23 H new ATOM 0 HG21 THR A 56 -13.969 13.772 1.962 1.00 11.05 H new ATOM 0 HG22 THR A 56 -12.199 13.620 1.857 1.00 11.05 H new ATOM 0 HG23 THR A 56 -13.171 13.745 0.371 1.00 11.05 H new ATOM 887 N VAL A 57 -9.944 12.234 0.586 1.00 72.45 N ATOM 888 CA VAL A 57 -8.629 12.646 1.104 1.00 51.21 C ATOM 889 C VAL A 57 -8.799 13.715 2.209 1.00 13.15 C ATOM 890 O VAL A 57 -9.452 14.743 1.990 1.00 42.14 O ATOM 891 CB VAL A 57 -7.723 13.228 -0.053 1.00 75.02 C ATOM 892 CG1 VAL A 57 -6.279 13.505 0.429 1.00 31.21 C ATOM 893 CG2 VAL A 57 -7.736 12.298 -1.286 1.00 11.24 C ATOM 0 H VAL A 57 -10.172 12.656 -0.314 1.00 72.45 H new ATOM 0 HA VAL A 57 -8.143 11.764 1.522 1.00 51.21 H new ATOM 0 HB VAL A 57 -8.149 14.186 -0.350 1.00 75.02 H new ATOM 0 HG11 VAL A 57 -5.690 13.904 -0.397 1.00 31.21 H new ATOM 0 HG12 VAL A 57 -6.300 14.230 1.243 1.00 31.21 H new ATOM 0 HG13 VAL A 57 -5.829 12.577 0.781 1.00 31.21 H new ATOM 0 HG21 VAL A 57 -7.105 12.721 -2.068 1.00 11.24 H new ATOM 0 HG22 VAL A 57 -7.356 11.316 -1.005 1.00 11.24 H new ATOM 0 HG23 VAL A 57 -8.756 12.200 -1.657 1.00 11.24 H new ATOM 903 N THR A 58 -8.202 13.459 3.381 1.00 71.24 N ATOM 904 CA THR A 58 -8.184 14.392 4.521 1.00 43.22 C ATOM 905 C THR A 58 -6.718 14.758 4.832 1.00 61.14 C ATOM 906 O THR A 58 -6.011 14.010 5.512 1.00 3.31 O ATOM 907 CB THR A 58 -8.897 13.747 5.759 1.00 65.31 C ATOM 908 OG1 THR A 58 -10.266 13.448 5.411 1.00 71.32 O ATOM 909 CG2 THR A 58 -8.859 14.656 7.009 1.00 53.24 C ATOM 0 H THR A 58 -7.710 12.585 3.569 1.00 71.24 H new ATOM 0 HA THR A 58 -8.729 15.303 4.275 1.00 43.22 H new ATOM 0 HB THR A 58 -8.358 12.835 6.015 1.00 65.31 H new ATOM 0 HG1 THR A 58 -10.718 13.043 6.180 1.00 71.32 H new ATOM 0 HG21 THR A 58 -9.367 14.159 7.836 1.00 53.24 H new ATOM 0 HG22 THR A 58 -7.823 14.852 7.285 1.00 53.24 H new ATOM 0 HG23 THR A 58 -9.360 15.599 6.789 1.00 53.24 H new ATOM 917 N VAL A 59 -6.265 15.914 4.323 1.00 32.15 N ATOM 918 CA VAL A 59 -4.848 16.305 4.373 1.00 54.25 C ATOM 919 C VAL A 59 -4.559 17.091 5.652 1.00 10.12 C ATOM 920 O VAL A 59 -5.230 18.079 5.949 1.00 51.53 O ATOM 921 CB VAL A 59 -4.409 17.132 3.099 1.00 2.33 C ATOM 922 CG1 VAL A 59 -3.033 17.828 3.293 1.00 3.15 C ATOM 923 CG2 VAL A 59 -4.382 16.213 1.858 1.00 25.30 C ATOM 0 H VAL A 59 -6.867 16.600 3.868 1.00 32.15 H new ATOM 0 HA VAL A 59 -4.258 15.389 4.377 1.00 54.25 H new ATOM 0 HB VAL A 59 -5.145 17.922 2.949 1.00 2.33 H new ATOM 0 HG11 VAL A 59 -2.776 18.383 2.391 1.00 3.15 H new ATOM 0 HG12 VAL A 59 -3.088 18.514 4.138 1.00 3.15 H new ATOM 0 HG13 VAL A 59 -2.269 17.075 3.486 1.00 3.15 H new ATOM 0 HG21 VAL A 59 -4.079 16.790 0.984 1.00 25.30 H new ATOM 0 HG22 VAL A 59 -3.672 15.402 2.021 1.00 25.30 H new ATOM 0 HG23 VAL A 59 -5.376 15.798 1.691 1.00 25.30 H new ATOM 933 N HIS A 60 -3.557 16.618 6.397 1.00 35.32 N ATOM 934 CA HIS A 60 -3.072 17.264 7.606 1.00 63.23 C ATOM 935 C HIS A 60 -2.073 18.357 7.229 1.00 11.30 C ATOM 936 O HIS A 60 -0.923 18.077 6.877 1.00 21.11 O ATOM 937 CB HIS A 60 -2.469 16.211 8.566 1.00 34.50 C ATOM 938 CG HIS A 60 -3.533 15.281 9.087 1.00 2.40 C ATOM 939 ND1 HIS A 60 -4.367 15.403 10.148 1.00 33.04 N flip ATOM 940 CD2 HIS A 60 -3.906 14.119 8.441 1.00 25.12 C flip ATOM 941 CE1 HIS A 60 -5.222 14.336 10.111 1.00 61.43 C flip ATOM 942 NE2 HIS A 60 -4.926 13.579 9.078 1.00 52.23 N flip ATOM 0 H HIS A 60 -3.055 15.760 6.168 1.00 35.32 H new ATOM 0 HA HIS A 60 -3.896 17.739 8.137 1.00 63.23 H new ATOM 0 HB2 HIS A 60 -1.702 15.637 8.046 1.00 34.50 H new ATOM 0 HB3 HIS A 60 -1.980 16.713 9.401 1.00 34.50 H new ATOM 0 HD1 HIS A 60 -4.359 16.150 10.843 1.00 33.04 H new ATOM 0 HD2 HIS A 60 -3.437 13.717 7.555 1.00 25.12 H new ATOM 0 HE1 HIS A 60 -6.015 14.146 10.819 1.00 61.43 H new ATOM 951 N GLU A 61 -2.577 19.603 7.257 1.00 64.41 N ATOM 952 CA GLU A 61 -1.793 20.835 6.995 1.00 50.11 C ATOM 953 C GLU A 61 -0.667 21.038 8.031 1.00 15.03 C ATOM 954 O GLU A 61 0.227 21.871 7.835 1.00 62.22 O ATOM 955 CB GLU A 61 -2.735 22.059 6.972 1.00 41.50 C ATOM 956 CG GLU A 61 -3.573 22.253 8.252 1.00 42.43 C ATOM 957 CD GLU A 61 -4.558 23.423 8.134 1.00 60.23 C ATOM 958 OE1 GLU A 61 -4.125 24.589 8.272 1.00 72.34 O ATOM 959 OE2 GLU A 61 -5.761 23.185 7.890 1.00 23.40 O ATOM 0 H GLU A 61 -3.557 19.792 7.466 1.00 64.41 H new ATOM 0 HA GLU A 61 -1.315 20.726 6.021 1.00 50.11 H new ATOM 0 HB2 GLU A 61 -2.139 22.956 6.805 1.00 41.50 H new ATOM 0 HB3 GLU A 61 -3.411 21.964 6.123 1.00 41.50 H new ATOM 0 HG2 GLU A 61 -4.125 21.337 8.464 1.00 42.43 H new ATOM 0 HG3 GLU A 61 -2.906 22.427 9.097 1.00 42.43 H new ATOM 966 N THR A 62 -0.752 20.308 9.152 1.00 35.44 N ATOM 967 CA THR A 62 0.328 20.173 10.131 1.00 71.22 C ATOM 968 C THR A 62 0.875 18.718 10.060 1.00 32.15 C ATOM 969 O THR A 62 0.397 17.841 10.785 1.00 23.02 O ATOM 970 CB THR A 62 -0.200 20.536 11.570 1.00 33.33 C ATOM 971 OG1 THR A 62 -1.350 19.731 11.902 1.00 11.13 O ATOM 972 CG2 THR A 62 -0.588 22.025 11.673 1.00 51.24 C ATOM 0 H THR A 62 -1.591 19.786 9.406 1.00 35.44 H new ATOM 0 HA THR A 62 1.141 20.863 9.907 1.00 71.22 H new ATOM 0 HB THR A 62 0.611 20.335 12.270 1.00 33.33 H new ATOM 0 HG1 THR A 62 -1.170 18.795 11.675 1.00 11.13 H new ATOM 0 HG21 THR A 62 -0.948 22.238 12.680 1.00 51.24 H new ATOM 0 HG22 THR A 62 0.284 22.644 11.460 1.00 51.24 H new ATOM 0 HG23 THR A 62 -1.375 22.247 10.952 1.00 51.24 H new ATOM 980 N PRO A 63 1.834 18.408 9.116 1.00 4.03 N ATOM 981 CA PRO A 63 2.344 17.029 8.944 1.00 33.21 C ATOM 982 C PRO A 63 3.336 16.642 10.064 1.00 72.15 C ATOM 983 O PRO A 63 4.348 17.319 10.269 1.00 43.02 O ATOM 984 CB PRO A 63 3.018 17.081 7.548 1.00 33.52 C ATOM 985 CG PRO A 63 3.472 18.501 7.387 1.00 32.35 C ATOM 986 CD PRO A 63 2.481 19.355 8.157 1.00 24.20 C ATOM 0 HA PRO A 63 1.565 16.269 9.007 1.00 33.21 H new ATOM 0 HB2 PRO A 63 3.858 16.389 7.490 1.00 33.52 H new ATOM 0 HB3 PRO A 63 2.318 16.799 6.761 1.00 33.52 H new ATOM 0 HG2 PRO A 63 4.482 18.633 7.775 1.00 32.35 H new ATOM 0 HG3 PRO A 63 3.495 18.785 6.335 1.00 32.35 H new ATOM 0 HD2 PRO A 63 2.982 20.169 8.681 1.00 24.20 H new ATOM 0 HD3 PRO A 63 1.747 19.808 7.491 1.00 24.20 H new ATOM 994 N GLU A 64 3.036 15.549 10.788 1.00 75.34 N ATOM 995 CA GLU A 64 3.863 15.071 11.917 1.00 55.45 C ATOM 996 C GLU A 64 4.748 13.892 11.484 1.00 55.52 C ATOM 997 O GLU A 64 4.493 13.261 10.458 1.00 74.40 O ATOM 998 CB GLU A 64 2.951 14.715 13.120 1.00 50.44 C ATOM 999 CG GLU A 64 1.884 13.627 12.865 1.00 34.40 C ATOM 1000 CD GLU A 64 0.859 13.543 14.013 1.00 71.11 C ATOM 1001 OE1 GLU A 64 1.189 12.991 15.086 1.00 10.34 O ATOM 1002 OE2 GLU A 64 -0.266 14.059 13.872 1.00 11.40 O ATOM 0 H GLU A 64 2.215 14.971 10.609 1.00 75.34 H new ATOM 0 HA GLU A 64 4.537 15.866 12.235 1.00 55.45 H new ATOM 0 HB2 GLU A 64 3.584 14.388 13.945 1.00 50.44 H new ATOM 0 HB3 GLU A 64 2.444 15.623 13.447 1.00 50.44 H new ATOM 0 HG2 GLU A 64 1.365 13.840 11.931 1.00 34.40 H new ATOM 0 HG3 GLU A 64 2.373 12.661 12.744 1.00 34.40 H new ATOM 1009 N SER A 65 5.781 13.595 12.281 1.00 63.13 N ATOM 1010 CA SER A 65 6.868 12.681 11.886 1.00 40.40 C ATOM 1011 C SER A 65 6.608 11.236 12.377 1.00 30.43 C ATOM 1012 O SER A 65 6.608 10.969 13.581 1.00 72.32 O ATOM 1013 CB SER A 65 8.194 13.235 12.441 1.00 31.42 C ATOM 1014 OG SER A 65 8.132 13.451 13.842 1.00 14.14 O ATOM 0 H SER A 65 5.890 13.980 13.219 1.00 63.13 H new ATOM 0 HA SER A 65 6.919 12.628 10.799 1.00 40.40 H new ATOM 0 HB2 SER A 65 9.001 12.538 12.217 1.00 31.42 H new ATOM 0 HB3 SER A 65 8.434 14.172 11.939 1.00 31.42 H new ATOM 0 HG SER A 65 7.527 12.796 14.248 1.00 14.14 H new ATOM 1020 N VAL A 66 6.368 10.318 11.429 1.00 22.24 N ATOM 1021 CA VAL A 66 6.126 8.893 11.707 1.00 45.13 C ATOM 1022 C VAL A 66 7.335 8.076 11.218 1.00 13.14 C ATOM 1023 O VAL A 66 7.692 8.140 10.033 1.00 41.25 O ATOM 1024 CB VAL A 66 4.805 8.403 10.997 1.00 21.33 C ATOM 1025 CG1 VAL A 66 4.465 6.930 11.358 1.00 60.13 C ATOM 1026 CG2 VAL A 66 3.631 9.373 11.314 1.00 22.00 C ATOM 0 H VAL A 66 6.336 10.546 10.435 1.00 22.24 H new ATOM 0 HA VAL A 66 6.000 8.751 12.780 1.00 45.13 H new ATOM 0 HB VAL A 66 4.971 8.420 9.920 1.00 21.33 H new ATOM 0 HG11 VAL A 66 3.549 6.633 10.848 1.00 60.13 H new ATOM 0 HG12 VAL A 66 5.282 6.281 11.044 1.00 60.13 H new ATOM 0 HG13 VAL A 66 4.326 6.842 12.435 1.00 60.13 H new ATOM 0 HG21 VAL A 66 2.726 9.023 10.818 1.00 22.00 H new ATOM 0 HG22 VAL A 66 3.466 9.404 12.391 1.00 22.00 H new ATOM 0 HG23 VAL A 66 3.878 10.372 10.956 1.00 22.00 H new ATOM 1036 N ASP A 67 7.962 7.329 12.138 1.00 44.51 N ATOM 1037 CA ASP A 67 9.156 6.523 11.839 1.00 41.53 C ATOM 1038 C ASP A 67 8.749 5.212 11.160 1.00 72.43 C ATOM 1039 O ASP A 67 8.160 4.322 11.793 1.00 53.15 O ATOM 1040 CB ASP A 67 9.964 6.230 13.129 1.00 4.04 C ATOM 1041 CG ASP A 67 10.528 7.504 13.772 1.00 61.05 C ATOM 1042 OD1 ASP A 67 11.525 8.049 13.251 1.00 53.24 O ATOM 1043 OD2 ASP A 67 9.972 7.973 14.784 1.00 74.23 O ATOM 0 H ASP A 67 7.657 7.266 13.109 1.00 44.51 H new ATOM 0 HA ASP A 67 9.792 7.092 11.161 1.00 41.53 H new ATOM 0 HB2 ASP A 67 9.323 5.718 13.847 1.00 4.04 H new ATOM 0 HB3 ASP A 67 10.784 5.552 12.894 1.00 4.04 H new ATOM 1048 N LEU A 68 9.034 5.130 9.858 1.00 24.24 N ATOM 1049 CA LEU A 68 8.883 3.910 9.053 1.00 75.31 C ATOM 1050 C LEU A 68 10.297 3.473 8.642 1.00 52.01 C ATOM 1051 O LEU A 68 11.284 4.067 9.092 1.00 62.03 O ATOM 1052 CB LEU A 68 7.962 4.174 7.818 1.00 40.43 C ATOM 1053 CG LEU A 68 6.533 4.738 8.138 1.00 4.35 C ATOM 1054 CD1 LEU A 68 5.711 4.964 6.847 1.00 22.22 C ATOM 1055 CD2 LEU A 68 5.766 3.838 9.152 1.00 34.33 C ATOM 0 H LEU A 68 9.383 5.924 9.321 1.00 24.24 H new ATOM 0 HA LEU A 68 8.400 3.115 9.620 1.00 75.31 H new ATOM 0 HB2 LEU A 68 8.468 4.875 7.155 1.00 40.43 H new ATOM 0 HB3 LEU A 68 7.848 3.240 7.268 1.00 40.43 H new ATOM 0 HG LEU A 68 6.672 5.709 8.614 1.00 4.35 H new ATOM 0 HD11 LEU A 68 4.727 5.355 7.106 1.00 22.22 H new ATOM 0 HD12 LEU A 68 6.228 5.678 6.207 1.00 22.22 H new ATOM 0 HD13 LEU A 68 5.598 4.018 6.318 1.00 22.22 H new ATOM 0 HD21 LEU A 68 4.782 4.265 9.345 1.00 34.33 H new ATOM 0 HD22 LEU A 68 5.652 2.837 8.736 1.00 34.33 H new ATOM 0 HD23 LEU A 68 6.327 3.782 10.085 1.00 34.33 H new ATOM 1067 N GLU A 69 10.413 2.420 7.840 1.00 65.03 N ATOM 1068 CA GLU A 69 11.720 1.955 7.332 1.00 62.35 C ATOM 1069 C GLU A 69 11.797 2.110 5.816 1.00 0.45 C ATOM 1070 O GLU A 69 10.805 2.450 5.151 1.00 34.44 O ATOM 1071 CB GLU A 69 11.973 0.483 7.764 1.00 64.02 C ATOM 1072 CG GLU A 69 11.121 -0.603 7.049 1.00 62.52 C ATOM 1073 CD GLU A 69 11.814 -1.301 5.851 1.00 75.43 C ATOM 1074 OE1 GLU A 69 12.856 -1.972 6.080 1.00 22.22 O ATOM 1075 OE2 GLU A 69 11.332 -1.179 4.698 1.00 63.33 O ATOM 0 H GLU A 69 9.620 1.863 7.521 1.00 65.03 H new ATOM 0 HA GLU A 69 12.504 2.575 7.766 1.00 62.35 H new ATOM 0 HB2 GLU A 69 13.026 0.255 7.599 1.00 64.02 H new ATOM 0 HB3 GLU A 69 11.794 0.406 8.837 1.00 64.02 H new ATOM 0 HG2 GLU A 69 10.842 -1.362 7.779 1.00 62.52 H new ATOM 0 HG3 GLU A 69 10.197 -0.144 6.697 1.00 62.52 H new ATOM 1082 N THR A 70 13.007 1.892 5.297 1.00 10.22 N ATOM 1083 CA THR A 70 13.272 1.790 3.859 1.00 2.30 C ATOM 1084 C THR A 70 14.062 0.488 3.614 1.00 63.32 C ATOM 1085 O THR A 70 14.767 0.017 4.528 1.00 72.42 O ATOM 1086 CB THR A 70 14.046 3.042 3.340 1.00 40.13 C ATOM 1087 OG1 THR A 70 13.998 3.092 1.914 1.00 14.23 O ATOM 1088 CG2 THR A 70 15.519 3.079 3.797 1.00 11.32 C ATOM 0 H THR A 70 13.843 1.780 5.871 1.00 10.22 H new ATOM 0 HA THR A 70 12.334 1.759 3.304 1.00 2.30 H new ATOM 0 HB THR A 70 13.549 3.910 3.772 1.00 40.13 H new ATOM 0 HG1 THR A 70 14.485 3.882 1.598 1.00 14.23 H new ATOM 0 HG21 THR A 70 16.000 3.974 3.402 1.00 11.32 H new ATOM 0 HG22 THR A 70 15.562 3.094 4.886 1.00 11.32 H new ATOM 0 HG23 THR A 70 16.037 2.195 3.426 1.00 11.32 H new ATOM 1096 N SER A 71 13.973 -0.074 2.389 1.00 13.20 N ATOM 1097 CA SER A 71 14.448 -1.449 2.093 1.00 30.11 C ATOM 1098 C SER A 71 15.975 -1.626 2.315 1.00 24.44 C ATOM 1099 O SER A 71 16.460 -2.758 2.416 1.00 23.33 O ATOM 1100 CB SER A 71 14.007 -1.873 0.664 1.00 70.23 C ATOM 1101 OG SER A 71 14.413 -0.940 -0.319 1.00 71.13 O ATOM 0 H SER A 71 13.574 0.405 1.582 1.00 13.20 H new ATOM 0 HA SER A 71 13.976 -2.120 2.811 1.00 30.11 H new ATOM 0 HB2 SER A 71 14.428 -2.851 0.431 1.00 70.23 H new ATOM 0 HB3 SER A 71 12.922 -1.979 0.637 1.00 70.23 H new ATOM 0 HG SER A 71 14.117 -1.246 -1.202 1.00 71.13 H new ATOM 1107 N ASP A 72 16.737 -0.508 2.375 1.00 64.43 N ATOM 1108 CA ASP A 72 18.127 -0.505 2.914 1.00 73.21 C ATOM 1109 C ASP A 72 18.194 -0.689 4.460 1.00 72.45 C ATOM 1110 O ASP A 72 19.082 -0.112 5.074 1.00 31.45 O ATOM 1111 CB ASP A 72 18.847 0.824 2.528 1.00 21.50 C ATOM 1112 CG ASP A 72 18.987 1.038 1.024 1.00 72.42 C ATOM 1113 OD1 ASP A 72 19.616 0.188 0.358 1.00 52.13 O ATOM 1114 OD2 ASP A 72 18.465 2.037 0.491 1.00 51.55 O ATOM 0 H ASP A 72 16.416 0.407 2.057 1.00 64.43 H new ATOM 0 HA ASP A 72 18.628 -1.363 2.465 1.00 73.21 H new ATOM 0 HB2 ASP A 72 18.295 1.662 2.954 1.00 21.50 H new ATOM 0 HB3 ASP A 72 19.839 0.833 2.980 1.00 21.50 H new ATOM 1119 N ASP A 73 17.274 -1.499 5.076 1.00 34.22 N ATOM 1120 CA ASP A 73 17.254 -1.881 6.533 1.00 43.01 C ATOM 1121 C ASP A 73 17.374 -0.674 7.506 1.00 72.44 C ATOM 1122 O ASP A 73 17.636 -0.843 8.704 1.00 22.02 O ATOM 1123 CB ASP A 73 18.309 -3.001 6.860 1.00 34.24 C ATOM 1124 CG ASP A 73 19.796 -2.562 6.788 1.00 53.32 C ATOM 1125 OD1 ASP A 73 20.338 -2.033 7.785 1.00 52.44 O ATOM 1126 OD2 ASP A 73 20.432 -2.740 5.736 1.00 13.00 O ATOM 0 H ASP A 73 16.502 -1.918 4.558 1.00 34.22 H new ATOM 0 HA ASP A 73 16.261 -2.296 6.707 1.00 43.01 H new ATOM 0 HB2 ASP A 73 18.109 -3.382 7.861 1.00 34.24 H new ATOM 0 HB3 ASP A 73 18.159 -3.830 6.168 1.00 34.24 H new ATOM 1131 N ARG A 74 17.069 0.521 6.993 1.00 55.02 N ATOM 1132 CA ARG A 74 17.303 1.798 7.688 1.00 35.34 C ATOM 1133 C ARG A 74 15.981 2.286 8.307 1.00 3.50 C ATOM 1134 O ARG A 74 14.910 1.781 7.962 1.00 62.45 O ATOM 1135 CB ARG A 74 17.859 2.825 6.649 1.00 32.22 C ATOM 1136 CG ARG A 74 18.478 4.128 7.216 1.00 12.43 C ATOM 1137 CD ARG A 74 18.869 5.121 6.100 1.00 24.01 C ATOM 1138 NE ARG A 74 19.738 4.494 5.076 1.00 64.21 N ATOM 1139 CZ ARG A 74 19.591 4.613 3.741 1.00 63.33 C ATOM 1140 NH1 ARG A 74 18.608 5.337 3.223 1.00 65.53 N ATOM 1141 NH2 ARG A 74 20.426 3.983 2.932 1.00 62.24 N ATOM 0 H ARG A 74 16.647 0.635 6.071 1.00 55.02 H new ATOM 0 HA ARG A 74 18.029 1.681 8.493 1.00 35.34 H new ATOM 0 HB2 ARG A 74 18.617 2.323 6.047 1.00 32.22 H new ATOM 0 HB3 ARG A 74 17.047 3.100 5.975 1.00 32.22 H new ATOM 0 HG2 ARG A 74 17.765 4.604 7.890 1.00 12.43 H new ATOM 0 HG3 ARG A 74 19.360 3.882 7.807 1.00 12.43 H new ATOM 0 HD2 ARG A 74 17.967 5.504 5.624 1.00 24.01 H new ATOM 0 HD3 ARG A 74 19.385 5.975 6.539 1.00 24.01 H new ATOM 0 HE ARG A 74 20.514 3.923 5.410 1.00 64.21 H new ATOM 0 HH11 ARG A 74 17.948 5.815 3.837 1.00 65.53 H new ATOM 0 HH12 ARG A 74 18.512 5.416 2.211 1.00 65.53 H new ATOM 0 HH21 ARG A 74 21.176 3.411 3.319 1.00 62.24 H new ATOM 0 HH22 ARG A 74 20.320 4.069 1.921 1.00 62.24 H new ATOM 1155 N THR A 75 16.063 3.300 9.183 1.00 64.23 N ATOM 1156 CA THR A 75 14.880 3.949 9.770 1.00 75.25 C ATOM 1157 C THR A 75 14.827 5.372 9.219 1.00 31.13 C ATOM 1158 O THR A 75 15.797 6.133 9.337 1.00 4.01 O ATOM 1159 CB THR A 75 14.894 3.971 11.338 1.00 42.14 C ATOM 1160 OG1 THR A 75 15.125 2.645 11.833 1.00 44.41 O ATOM 1161 CG2 THR A 75 13.553 4.490 11.914 1.00 1.34 C ATOM 0 H THR A 75 16.948 3.692 9.503 1.00 64.23 H new ATOM 0 HA THR A 75 13.995 3.375 9.497 1.00 75.25 H new ATOM 0 HB THR A 75 15.691 4.645 11.654 1.00 42.14 H new ATOM 0 HG1 THR A 75 15.136 2.659 12.813 1.00 44.41 H new ATOM 0 HG21 THR A 75 13.601 4.491 13.003 1.00 1.34 H new ATOM 0 HG22 THR A 75 13.372 5.504 11.558 1.00 1.34 H new ATOM 0 HG23 THR A 75 12.741 3.841 11.587 1.00 1.34 H new ATOM 1169 N VAL A 76 13.693 5.714 8.609 1.00 34.33 N ATOM 1170 CA VAL A 76 13.514 6.949 7.853 1.00 41.50 C ATOM 1171 C VAL A 76 12.194 7.628 8.259 1.00 3.33 C ATOM 1172 O VAL A 76 11.142 6.976 8.385 1.00 3.42 O ATOM 1173 CB VAL A 76 13.568 6.693 6.293 1.00 54.02 C ATOM 1174 CG1 VAL A 76 15.008 6.355 5.825 1.00 32.11 C ATOM 1175 CG2 VAL A 76 12.575 5.589 5.866 1.00 62.14 C ATOM 0 H VAL A 76 12.858 5.128 8.628 1.00 34.33 H new ATOM 0 HA VAL A 76 14.340 7.618 8.094 1.00 41.50 H new ATOM 0 HB VAL A 76 13.266 7.619 5.803 1.00 54.02 H new ATOM 0 HG11 VAL A 76 15.010 6.185 4.748 1.00 32.11 H new ATOM 0 HG12 VAL A 76 15.672 7.186 6.062 1.00 32.11 H new ATOM 0 HG13 VAL A 76 15.355 5.456 6.335 1.00 32.11 H new ATOM 0 HG21 VAL A 76 12.639 5.439 4.788 1.00 62.14 H new ATOM 0 HG22 VAL A 76 12.823 4.659 6.377 1.00 62.14 H new ATOM 0 HG23 VAL A 76 11.561 5.889 6.131 1.00 62.14 H new ATOM 1185 N ARG A 77 12.290 8.935 8.502 1.00 41.02 N ATOM 1186 CA ARG A 77 11.166 9.783 8.898 1.00 10.40 C ATOM 1187 C ARG A 77 10.261 10.050 7.686 1.00 61.43 C ATOM 1188 O ARG A 77 10.720 10.517 6.643 1.00 3.23 O ATOM 1189 CB ARG A 77 11.725 11.101 9.526 1.00 33.02 C ATOM 1190 CG ARG A 77 10.684 12.171 9.974 1.00 53.32 C ATOM 1191 CD ARG A 77 10.328 13.190 8.866 1.00 31.50 C ATOM 1192 NE ARG A 77 11.511 13.977 8.450 1.00 44.41 N ATOM 1193 CZ ARG A 77 12.102 13.937 7.235 1.00 32.53 C ATOM 1194 NH1 ARG A 77 11.646 13.155 6.275 1.00 42.51 N ATOM 1195 NH2 ARG A 77 13.163 14.690 7.003 1.00 72.25 N ATOM 0 H ARG A 77 13.170 9.445 8.427 1.00 41.02 H new ATOM 0 HA ARG A 77 10.553 9.284 9.649 1.00 10.40 H new ATOM 0 HB2 ARG A 77 12.329 10.833 10.393 1.00 33.02 H new ATOM 0 HB3 ARG A 77 12.395 11.563 8.801 1.00 33.02 H new ATOM 0 HG2 ARG A 77 9.774 11.667 10.298 1.00 53.32 H new ATOM 0 HG3 ARG A 77 11.076 12.708 10.838 1.00 53.32 H new ATOM 0 HD2 ARG A 77 9.919 12.663 8.004 1.00 31.50 H new ATOM 0 HD3 ARG A 77 9.550 13.863 9.226 1.00 31.50 H new ATOM 0 HE ARG A 77 11.917 14.606 9.143 1.00 44.41 H new ATOM 0 HH11 ARG A 77 10.831 12.564 6.442 1.00 42.51 H new ATOM 0 HH12 ARG A 77 12.108 13.141 5.366 1.00 42.51 H new ATOM 0 HH21 ARG A 77 13.530 15.295 7.738 1.00 72.25 H new ATOM 0 HH22 ARG A 77 13.615 14.666 6.089 1.00 72.25 H new ATOM 1209 N TYR A 78 8.986 9.704 7.836 1.00 40.42 N ATOM 1210 CA TYR A 78 7.909 10.109 6.923 1.00 71.42 C ATOM 1211 C TYR A 78 7.105 11.234 7.584 1.00 13.31 C ATOM 1212 O TYR A 78 7.068 11.343 8.807 1.00 4.32 O ATOM 1213 CB TYR A 78 6.982 8.907 6.593 1.00 74.25 C ATOM 1214 CG TYR A 78 7.537 7.933 5.529 1.00 40.21 C ATOM 1215 CD1 TYR A 78 8.730 7.239 5.729 1.00 34.32 C ATOM 1216 CD2 TYR A 78 6.856 7.704 4.324 1.00 23.04 C ATOM 1217 CE1 TYR A 78 9.213 6.361 4.777 1.00 64.11 C ATOM 1218 CE2 TYR A 78 7.339 6.825 3.377 1.00 34.24 C ATOM 1219 CZ TYR A 78 8.516 6.156 3.606 1.00 73.31 C ATOM 1220 OH TYR A 78 9.000 5.276 2.658 1.00 55.43 O ATOM 0 H TYR A 78 8.661 9.123 8.609 1.00 40.42 H new ATOM 0 HA TYR A 78 8.342 10.461 5.986 1.00 71.42 H new ATOM 0 HB2 TYR A 78 6.792 8.350 7.511 1.00 74.25 H new ATOM 0 HB3 TYR A 78 6.022 9.291 6.248 1.00 74.25 H new ATOM 0 HD1 TYR A 78 9.286 7.390 6.643 1.00 34.32 H new ATOM 0 HD2 TYR A 78 5.931 8.229 4.133 1.00 23.04 H new ATOM 0 HE1 TYR A 78 10.139 5.834 4.951 1.00 64.11 H new ATOM 0 HE2 TYR A 78 6.793 6.664 2.459 1.00 34.24 H new ATOM 0 HH TYR A 78 8.387 5.249 1.894 1.00 55.43 H new ATOM 1230 N LEU A 79 6.485 12.074 6.761 1.00 34.02 N ATOM 1231 CA LEU A 79 5.554 13.115 7.211 1.00 1.15 C ATOM 1232 C LEU A 79 4.129 12.677 6.882 1.00 44.32 C ATOM 1233 O LEU A 79 3.856 12.231 5.758 1.00 11.33 O ATOM 1234 CB LEU A 79 5.893 14.471 6.541 1.00 54.50 C ATOM 1235 CG LEU A 79 7.244 15.110 6.988 1.00 42.44 C ATOM 1236 CD1 LEU A 79 7.577 16.368 6.160 1.00 15.25 C ATOM 1237 CD2 LEU A 79 7.242 15.417 8.511 1.00 21.22 C ATOM 0 H LEU A 79 6.614 12.054 5.749 1.00 34.02 H new ATOM 0 HA LEU A 79 5.645 13.252 8.289 1.00 1.15 H new ATOM 0 HB2 LEU A 79 5.916 14.329 5.461 1.00 54.50 H new ATOM 0 HB3 LEU A 79 5.088 15.175 6.753 1.00 54.50 H new ATOM 0 HG LEU A 79 8.031 14.381 6.798 1.00 42.44 H new ATOM 0 HD11 LEU A 79 8.525 16.786 6.499 1.00 15.25 H new ATOM 0 HD12 LEU A 79 7.655 16.100 5.106 1.00 15.25 H new ATOM 0 HD13 LEU A 79 6.787 17.108 6.289 1.00 15.25 H new ATOM 0 HD21 LEU A 79 8.196 15.862 8.794 1.00 21.22 H new ATOM 0 HD22 LEU A 79 6.435 16.113 8.741 1.00 21.22 H new ATOM 0 HD23 LEU A 79 7.093 14.492 9.068 1.00 21.22 H new ATOM 1249 N HIS A 80 3.234 12.773 7.878 1.00 43.41 N ATOM 1250 CA HIS A 80 1.832 12.413 7.713 1.00 23.34 C ATOM 1251 C HIS A 80 1.124 13.552 6.980 1.00 1.43 C ATOM 1252 O HIS A 80 0.748 14.566 7.579 1.00 23.40 O ATOM 1253 CB HIS A 80 1.192 12.135 9.096 1.00 31.10 C ATOM 1254 CG HIS A 80 -0.226 11.638 9.036 1.00 75.21 C ATOM 1255 ND1 HIS A 80 -1.143 11.940 10.014 1.00 13.21 N ATOM 1256 CD2 HIS A 80 -0.819 10.848 8.108 1.00 61.44 C ATOM 1257 CE1 HIS A 80 -2.254 11.332 9.660 1.00 71.41 C ATOM 1258 NE2 HIS A 80 -2.102 10.661 8.516 1.00 73.32 N ATOM 0 H HIS A 80 3.469 13.102 8.814 1.00 43.41 H new ATOM 0 HA HIS A 80 1.736 11.502 7.123 1.00 23.34 H new ATOM 0 HB2 HIS A 80 1.800 11.399 9.623 1.00 31.10 H new ATOM 0 HB3 HIS A 80 1.218 13.051 9.686 1.00 31.10 H new ATOM 0 HD2 HIS A 80 -0.361 10.445 7.217 1.00 61.44 H new ATOM 0 HE1 HIS A 80 -3.174 11.371 10.224 1.00 71.41 H new ATOM 0 HE2 HIS A 80 -2.815 10.111 8.038 1.00 73.32 H new ATOM 1266 N VAL A 81 0.961 13.361 5.668 1.00 55.14 N ATOM 1267 CA VAL A 81 0.413 14.386 4.778 1.00 55.13 C ATOM 1268 C VAL A 81 -1.105 14.287 4.696 1.00 32.42 C ATOM 1269 O VAL A 81 -1.776 15.302 4.630 1.00 74.23 O ATOM 1270 CB VAL A 81 1.033 14.296 3.335 1.00 41.42 C ATOM 1271 CG1 VAL A 81 2.566 14.517 3.373 1.00 1.33 C ATOM 1272 CG2 VAL A 81 0.663 12.957 2.641 1.00 13.04 C ATOM 0 H VAL A 81 1.205 12.492 5.194 1.00 55.14 H new ATOM 0 HA VAL A 81 0.681 15.353 5.205 1.00 55.13 H new ATOM 0 HB VAL A 81 0.601 15.098 2.736 1.00 41.42 H new ATOM 0 HG11 VAL A 81 2.969 14.449 2.362 1.00 1.33 H new ATOM 0 HG12 VAL A 81 2.781 15.503 3.784 1.00 1.33 H new ATOM 0 HG13 VAL A 81 3.028 13.754 3.999 1.00 1.33 H new ATOM 0 HG21 VAL A 81 1.107 12.928 1.646 1.00 13.04 H new ATOM 0 HG22 VAL A 81 1.042 12.124 3.232 1.00 13.04 H new ATOM 0 HG23 VAL A 81 -0.421 12.878 2.557 1.00 13.04 H new ATOM 1282 N ALA A 82 -1.638 13.054 4.723 1.00 32.23 N ATOM 1283 CA ALA A 82 -3.067 12.809 4.477 1.00 45.04 C ATOM 1284 C ALA A 82 -3.545 11.552 5.199 1.00 22.11 C ATOM 1285 O ALA A 82 -2.751 10.758 5.680 1.00 72.33 O ATOM 1286 CB ALA A 82 -3.343 12.693 2.960 1.00 12.53 C ATOM 0 H ALA A 82 -1.098 12.210 4.913 1.00 32.23 H new ATOM 0 HA ALA A 82 -3.624 13.658 4.872 1.00 45.04 H new ATOM 0 HB1 ALA A 82 -4.405 12.512 2.796 1.00 12.53 H new ATOM 0 HB2 ALA A 82 -3.053 13.620 2.465 1.00 12.53 H new ATOM 0 HB3 ALA A 82 -2.766 11.865 2.547 1.00 12.53 H new ATOM 1292 N THR A 83 -4.870 11.417 5.278 1.00 50.01 N ATOM 1293 CA THR A 83 -5.550 10.213 5.729 1.00 10.32 C ATOM 1294 C THR A 83 -6.765 10.012 4.817 1.00 61.32 C ATOM 1295 O THR A 83 -7.689 10.832 4.805 1.00 42.21 O ATOM 1296 CB THR A 83 -6.003 10.295 7.222 1.00 24.11 C ATOM 1297 OG1 THR A 83 -4.873 10.611 8.044 1.00 50.50 O ATOM 1298 CG2 THR A 83 -6.622 8.970 7.708 1.00 15.23 C ATOM 0 H THR A 83 -5.513 12.166 5.022 1.00 50.01 H new ATOM 0 HA THR A 83 -4.859 9.372 5.672 1.00 10.32 H new ATOM 0 HB THR A 83 -6.764 11.072 7.297 1.00 24.11 H new ATOM 0 HG1 THR A 83 -4.942 11.539 8.353 1.00 50.50 H new ATOM 0 HG21 THR A 83 -6.923 9.070 8.751 1.00 15.23 H new ATOM 0 HG22 THR A 83 -7.494 8.731 7.099 1.00 15.23 H new ATOM 0 HG23 THR A 83 -5.887 8.170 7.618 1.00 15.23 H new ATOM 1306 N LEU A 84 -6.707 8.950 4.017 1.00 1.22 N ATOM 1307 CA LEU A 84 -7.760 8.592 3.074 1.00 51.42 C ATOM 1308 C LEU A 84 -8.890 7.896 3.863 1.00 12.02 C ATOM 1309 O LEU A 84 -8.763 6.734 4.253 1.00 14.23 O ATOM 1310 CB LEU A 84 -7.163 7.667 1.966 1.00 13.15 C ATOM 1311 CG LEU A 84 -5.782 8.123 1.364 1.00 43.34 C ATOM 1312 CD1 LEU A 84 -5.309 7.169 0.249 1.00 41.24 C ATOM 1313 CD2 LEU A 84 -5.808 9.597 0.878 1.00 71.44 C ATOM 0 H LEU A 84 -5.916 8.306 4.006 1.00 1.22 H new ATOM 0 HA LEU A 84 -8.171 9.472 2.579 1.00 51.42 H new ATOM 0 HB2 LEU A 84 -7.045 6.666 2.380 1.00 13.15 H new ATOM 0 HB3 LEU A 84 -7.885 7.592 1.153 1.00 13.15 H new ATOM 0 HG LEU A 84 -5.054 8.072 2.174 1.00 43.34 H new ATOM 0 HD11 LEU A 84 -4.353 7.514 -0.144 1.00 41.24 H new ATOM 0 HD12 LEU A 84 -5.193 6.164 0.655 1.00 41.24 H new ATOM 0 HD13 LEU A 84 -6.046 7.153 -0.554 1.00 41.24 H new ATOM 0 HD21 LEU A 84 -4.832 9.863 0.471 1.00 71.44 H new ATOM 0 HD22 LEU A 84 -6.567 9.712 0.104 1.00 71.44 H new ATOM 0 HD23 LEU A 84 -6.043 10.253 1.717 1.00 71.44 H new ATOM 1325 N SER A 85 -9.952 8.667 4.153 1.00 4.42 N ATOM 1326 CA SER A 85 -11.107 8.217 4.947 1.00 0.41 C ATOM 1327 C SER A 85 -12.172 7.614 4.012 1.00 4.50 C ATOM 1328 O SER A 85 -12.453 8.175 2.956 1.00 24.24 O ATOM 1329 CB SER A 85 -11.672 9.422 5.740 1.00 34.42 C ATOM 1330 OG SER A 85 -12.720 9.036 6.620 1.00 31.24 O ATOM 0 H SER A 85 -10.033 9.634 3.838 1.00 4.42 H new ATOM 0 HA SER A 85 -10.804 7.445 5.655 1.00 0.41 H new ATOM 0 HB2 SER A 85 -10.870 9.887 6.313 1.00 34.42 H new ATOM 0 HB3 SER A 85 -12.042 10.173 5.043 1.00 34.42 H new ATOM 0 HG SER A 85 -13.048 9.823 7.103 1.00 31.24 H new ATOM 1336 N PHE A 86 -12.741 6.464 4.415 1.00 22.14 N ATOM 1337 CA PHE A 86 -13.706 5.688 3.609 1.00 13.43 C ATOM 1338 C PHE A 86 -14.546 4.778 4.518 1.00 54.43 C ATOM 1339 O PHE A 86 -14.517 4.907 5.744 1.00 62.50 O ATOM 1340 CB PHE A 86 -12.965 4.849 2.514 1.00 24.34 C ATOM 1341 CG PHE A 86 -11.866 3.911 3.039 1.00 24.12 C ATOM 1342 CD1 PHE A 86 -10.559 4.362 3.186 1.00 74.02 C ATOM 1343 CD2 PHE A 86 -12.143 2.588 3.392 1.00 60.42 C ATOM 1344 CE1 PHE A 86 -9.572 3.535 3.668 1.00 64.12 C ATOM 1345 CE2 PHE A 86 -11.152 1.760 3.873 1.00 22.44 C ATOM 1346 CZ PHE A 86 -9.866 2.233 4.014 1.00 21.32 C ATOM 0 H PHE A 86 -12.542 6.040 5.321 1.00 22.14 H new ATOM 0 HA PHE A 86 -14.375 6.384 3.103 1.00 13.43 H new ATOM 0 HB2 PHE A 86 -13.702 4.253 1.975 1.00 24.34 H new ATOM 0 HB3 PHE A 86 -12.521 5.535 1.793 1.00 24.34 H new ATOM 0 HD1 PHE A 86 -10.315 5.379 2.917 1.00 74.02 H new ATOM 0 HD2 PHE A 86 -13.149 2.209 3.286 1.00 60.42 H new ATOM 0 HE1 PHE A 86 -8.564 3.906 3.776 1.00 64.12 H new ATOM 0 HE2 PHE A 86 -11.384 0.739 4.140 1.00 22.44 H new ATOM 0 HZ PHE A 86 -9.090 1.586 4.395 1.00 21.32 H new ATOM 1356 N ASP A 87 -15.331 3.891 3.894 1.00 74.35 N ATOM 1357 CA ASP A 87 -16.032 2.794 4.582 1.00 34.33 C ATOM 1358 C ASP A 87 -15.582 1.451 3.975 1.00 11.44 C ATOM 1359 O ASP A 87 -15.313 1.374 2.768 1.00 11.30 O ATOM 1360 CB ASP A 87 -17.572 2.978 4.487 1.00 3.31 C ATOM 1361 CG ASP A 87 -18.154 2.782 3.070 1.00 70.42 C ATOM 1362 OD1 ASP A 87 -17.926 3.639 2.196 1.00 3.01 O ATOM 1363 OD2 ASP A 87 -18.832 1.760 2.823 1.00 35.54 O ATOM 0 H ASP A 87 -15.500 3.913 2.888 1.00 74.35 H new ATOM 0 HA ASP A 87 -15.776 2.803 5.641 1.00 34.33 H new ATOM 0 HB2 ASP A 87 -18.052 2.272 5.164 1.00 3.31 H new ATOM 0 HB3 ASP A 87 -17.828 3.978 4.836 1.00 3.31 H new ATOM 1368 N LEU A 88 -15.471 0.411 4.815 1.00 52.52 N ATOM 1369 CA LEU A 88 -15.085 -0.945 4.383 1.00 34.01 C ATOM 1370 C LEU A 88 -15.719 -1.976 5.324 1.00 3.53 C ATOM 1371 O LEU A 88 -15.804 -1.735 6.538 1.00 12.33 O ATOM 1372 CB LEU A 88 -13.539 -1.122 4.354 1.00 4.11 C ATOM 1373 CG LEU A 88 -13.028 -2.493 3.795 1.00 33.33 C ATOM 1374 CD1 LEU A 88 -13.391 -2.665 2.298 1.00 63.55 C ATOM 1375 CD2 LEU A 88 -11.515 -2.669 4.032 1.00 11.10 C ATOM 0 H LEU A 88 -15.647 0.485 5.817 1.00 52.52 H new ATOM 0 HA LEU A 88 -15.449 -1.098 3.367 1.00 34.01 H new ATOM 0 HB2 LEU A 88 -13.110 -0.321 3.751 1.00 4.11 H new ATOM 0 HB3 LEU A 88 -13.157 -0.998 5.367 1.00 4.11 H new ATOM 0 HG LEU A 88 -13.539 -3.282 4.347 1.00 33.33 H new ATOM 0 HD11 LEU A 88 -13.022 -3.627 1.942 1.00 63.55 H new ATOM 0 HD12 LEU A 88 -14.474 -2.626 2.179 1.00 63.55 H new ATOM 0 HD13 LEU A 88 -12.933 -1.864 1.718 1.00 63.55 H new ATOM 0 HD21 LEU A 88 -11.194 -3.631 3.632 1.00 11.10 H new ATOM 0 HD22 LEU A 88 -10.972 -1.868 3.530 1.00 11.10 H new ATOM 0 HD23 LEU A 88 -11.308 -2.633 5.102 1.00 11.10 H new ATOM 1387 N ASP A 89 -16.152 -3.105 4.731 1.00 70.42 N ATOM 1388 CA ASP A 89 -16.810 -4.237 5.411 1.00 14.04 C ATOM 1389 C ASP A 89 -18.233 -3.860 5.868 1.00 12.42 C ATOM 1390 O ASP A 89 -19.212 -4.269 5.250 1.00 65.04 O ATOM 1391 CB ASP A 89 -15.952 -4.801 6.583 1.00 51.10 C ATOM 1392 CG ASP A 89 -16.543 -6.083 7.193 1.00 20.21 C ATOM 1393 OD1 ASP A 89 -16.430 -7.155 6.557 1.00 23.02 O ATOM 1394 OD2 ASP A 89 -17.117 -6.029 8.296 1.00 20.42 O ATOM 0 H ASP A 89 -16.049 -3.259 3.728 1.00 70.42 H new ATOM 0 HA ASP A 89 -16.901 -5.043 4.682 1.00 14.04 H new ATOM 0 HB2 ASP A 89 -14.944 -5.007 6.223 1.00 51.10 H new ATOM 0 HB3 ASP A 89 -15.864 -4.042 7.360 1.00 51.10 H new ATOM 1399 N GLY A 90 -18.317 -3.059 6.937 1.00 32.24 N ATOM 1400 CA GLY A 90 -19.589 -2.602 7.504 1.00 65.24 C ATOM 1401 C GLY A 90 -19.416 -1.416 8.454 1.00 65.01 C ATOM 1402 O GLY A 90 -20.356 -1.049 9.170 1.00 75.04 O ATOM 0 H GLY A 90 -17.499 -2.708 7.435 1.00 32.24 H new ATOM 0 HA2 GLY A 90 -20.263 -2.320 6.695 1.00 65.24 H new ATOM 0 HA3 GLY A 90 -20.061 -3.426 8.039 1.00 65.24 H new ATOM 1406 N GLU A 91 -18.210 -0.803 8.443 1.00 64.14 N ATOM 1407 CA GLU A 91 -17.849 0.311 9.337 1.00 22.01 C ATOM 1408 C GLU A 91 -16.985 1.348 8.600 1.00 70.43 C ATOM 1409 O GLU A 91 -16.463 1.079 7.516 1.00 12.15 O ATOM 1410 CB GLU A 91 -17.086 -0.221 10.585 1.00 13.33 C ATOM 1411 CG GLU A 91 -15.752 -0.936 10.266 1.00 1.34 C ATOM 1412 CD GLU A 91 -14.984 -1.389 11.520 1.00 14.21 C ATOM 1413 OE1 GLU A 91 -14.221 -0.577 12.080 1.00 75.13 O ATOM 1414 OE2 GLU A 91 -15.152 -2.542 11.959 1.00 50.04 O ATOM 0 H GLU A 91 -17.458 -1.072 7.808 1.00 64.14 H new ATOM 0 HA GLU A 91 -18.770 0.795 9.662 1.00 22.01 H new ATOM 0 HB2 GLU A 91 -16.884 0.615 11.255 1.00 13.33 H new ATOM 0 HB3 GLU A 91 -17.734 -0.912 11.124 1.00 13.33 H new ATOM 0 HG2 GLU A 91 -15.955 -1.805 9.640 1.00 1.34 H new ATOM 0 HG3 GLU A 91 -15.119 -0.265 9.685 1.00 1.34 H new ATOM 1421 N SER A 92 -16.853 2.538 9.212 1.00 11.23 N ATOM 1422 CA SER A 92 -15.950 3.600 8.742 1.00 74.14 C ATOM 1423 C SER A 92 -14.492 3.200 9.029 1.00 2.34 C ATOM 1424 O SER A 92 -14.159 2.866 10.167 1.00 30.21 O ATOM 1425 CB SER A 92 -16.306 4.935 9.442 1.00 23.20 C ATOM 1426 OG SER A 92 -15.445 5.989 9.047 1.00 73.12 O ATOM 0 H SER A 92 -17.374 2.790 10.052 1.00 11.23 H new ATOM 0 HA SER A 92 -16.066 3.735 7.667 1.00 74.14 H new ATOM 0 HB2 SER A 92 -17.337 5.203 9.209 1.00 23.20 H new ATOM 0 HB3 SER A 92 -16.247 4.805 10.523 1.00 23.20 H new ATOM 0 HG SER A 92 -15.704 6.813 9.509 1.00 73.12 H new ATOM 1432 N ARG A 93 -13.650 3.200 7.982 1.00 64.34 N ATOM 1433 CA ARG A 93 -12.224 2.831 8.055 1.00 24.35 C ATOM 1434 C ARG A 93 -11.371 3.918 7.375 1.00 42.45 C ATOM 1435 O ARG A 93 -11.777 4.479 6.357 1.00 2.33 O ATOM 1436 CB ARG A 93 -11.980 1.458 7.370 1.00 23.52 C ATOM 1437 CG ARG A 93 -12.538 0.205 8.099 1.00 11.11 C ATOM 1438 CD ARG A 93 -11.816 -0.092 9.436 1.00 75.50 C ATOM 1439 NE ARG A 93 -12.246 0.819 10.510 1.00 22.43 N ATOM 1440 CZ ARG A 93 -11.445 1.553 11.314 1.00 74.13 C ATOM 1441 NH1 ARG A 93 -10.119 1.526 11.207 1.00 14.32 N ATOM 1442 NH2 ARG A 93 -12.002 2.347 12.217 1.00 32.31 N ATOM 0 H ARG A 93 -13.946 3.462 7.042 1.00 64.34 H new ATOM 0 HA ARG A 93 -11.936 2.750 9.103 1.00 24.35 H new ATOM 0 HB2 ARG A 93 -12.417 1.493 6.372 1.00 23.52 H new ATOM 0 HB3 ARG A 93 -10.905 1.327 7.243 1.00 23.52 H new ATOM 0 HG2 ARG A 93 -13.601 0.347 8.291 1.00 11.11 H new ATOM 0 HG3 ARG A 93 -12.446 -0.661 7.443 1.00 11.11 H new ATOM 0 HD2 ARG A 93 -12.014 -1.122 9.734 1.00 75.50 H new ATOM 0 HD3 ARG A 93 -10.739 -0.002 9.294 1.00 75.50 H new ATOM 0 HE ARG A 93 -13.251 0.905 10.663 1.00 22.43 H new ATOM 0 HH11 ARG A 93 -9.676 0.938 10.501 1.00 14.32 H new ATOM 0 HH12 ARG A 93 -9.545 2.093 11.831 1.00 14.32 H new ATOM 0 HH21 ARG A 93 -13.018 2.396 12.296 1.00 32.31 H new ATOM 0 HH22 ARG A 93 -11.415 2.909 12.833 1.00 32.31 H new ATOM 1456 N ASP A 94 -10.180 4.186 7.930 1.00 24.31 N ATOM 1457 CA ASP A 94 -9.283 5.247 7.439 1.00 74.15 C ATOM 1458 C ASP A 94 -7.846 4.723 7.327 1.00 74.43 C ATOM 1459 O ASP A 94 -7.397 3.939 8.165 1.00 2.52 O ATOM 1460 CB ASP A 94 -9.354 6.482 8.375 1.00 53.33 C ATOM 1461 CG ASP A 94 -8.846 6.209 9.809 1.00 2.24 C ATOM 1462 OD1 ASP A 94 -9.570 5.564 10.598 1.00 30.44 O ATOM 1463 OD2 ASP A 94 -7.724 6.639 10.152 1.00 24.55 O ATOM 0 H ASP A 94 -9.810 3.675 8.731 1.00 24.31 H new ATOM 0 HA ASP A 94 -9.608 5.553 6.445 1.00 74.15 H new ATOM 0 HB2 ASP A 94 -8.767 7.290 7.939 1.00 53.33 H new ATOM 0 HB3 ASP A 94 -10.386 6.829 8.425 1.00 53.33 H new ATOM 1468 N LEU A 95 -7.140 5.148 6.260 1.00 60.21 N ATOM 1469 CA LEU A 95 -5.731 4.773 6.007 1.00 64.21 C ATOM 1470 C LEU A 95 -4.881 6.026 5.905 1.00 12.21 C ATOM 1471 O LEU A 95 -5.244 6.969 5.217 1.00 65.44 O ATOM 1472 CB LEU A 95 -5.567 3.933 4.713 1.00 74.03 C ATOM 1473 CG LEU A 95 -6.260 2.541 4.714 1.00 73.33 C ATOM 1474 CD1 LEU A 95 -5.870 1.720 3.464 1.00 63.41 C ATOM 1475 CD2 LEU A 95 -5.983 1.774 6.025 1.00 15.32 C ATOM 0 H LEU A 95 -7.531 5.763 5.546 1.00 60.21 H new ATOM 0 HA LEU A 95 -5.403 4.157 6.844 1.00 64.21 H new ATOM 0 HB2 LEU A 95 -5.958 4.511 3.876 1.00 74.03 H new ATOM 0 HB3 LEU A 95 -4.502 3.787 4.530 1.00 74.03 H new ATOM 0 HG LEU A 95 -7.337 2.704 4.665 1.00 73.33 H new ATOM 0 HD11 LEU A 95 -6.370 0.752 3.494 1.00 63.41 H new ATOM 0 HD12 LEU A 95 -6.174 2.258 2.566 1.00 63.41 H new ATOM 0 HD13 LEU A 95 -4.790 1.570 3.449 1.00 63.41 H new ATOM 0 HD21 LEU A 95 -6.482 0.805 5.992 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -4.909 1.625 6.140 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -6.362 2.349 6.870 1.00 15.32 H new ATOM 1487 N HIS A 96 -3.730 6.009 6.567 1.00 72.11 N ATOM 1488 CA HIS A 96 -2.860 7.176 6.689 1.00 2.34 C ATOM 1489 C HIS A 96 -1.793 7.143 5.589 1.00 23.40 C ATOM 1490 O HIS A 96 -1.037 6.173 5.464 1.00 43.14 O ATOM 1491 CB HIS A 96 -2.232 7.200 8.095 1.00 53.33 C ATOM 1492 CG HIS A 96 -3.257 7.262 9.211 1.00 44.02 C ATOM 1493 ND1 HIS A 96 -3.416 8.380 9.990 1.00 40.13 N ATOM 1494 CD2 HIS A 96 -4.158 6.324 9.614 1.00 20.13 C ATOM 1495 CE1 HIS A 96 -4.396 8.104 10.826 1.00 55.31 C ATOM 1496 NE2 HIS A 96 -4.876 6.873 10.635 1.00 52.15 N ATOM 0 H HIS A 96 -3.370 5.179 7.038 1.00 72.11 H new ATOM 0 HA HIS A 96 -3.438 8.091 6.562 1.00 2.34 H new ATOM 0 HB2 HIS A 96 -1.617 6.310 8.225 1.00 53.33 H new ATOM 0 HB3 HIS A 96 -1.568 8.061 8.174 1.00 53.33 H new ATOM 0 HD2 HIS A 96 -4.281 5.333 9.203 1.00 20.13 H new ATOM 0 HE1 HIS A 96 -4.766 8.790 11.574 1.00 55.31 H new ATOM 0 HE2 HIS A 96 -5.634 6.429 11.153 1.00 52.15 H new ATOM 1504 N ALA A 97 -1.749 8.226 4.809 1.00 42.10 N ATOM 1505 CA ALA A 97 -0.858 8.377 3.665 1.00 15.34 C ATOM 1506 C ALA A 97 0.316 9.253 4.075 1.00 62.21 C ATOM 1507 O ALA A 97 0.123 10.377 4.568 1.00 52.23 O ATOM 1508 CB ALA A 97 -1.619 9.007 2.487 1.00 21.50 C ATOM 0 H ALA A 97 -2.347 9.038 4.962 1.00 42.10 H new ATOM 0 HA ALA A 97 -0.489 7.402 3.347 1.00 15.34 H new ATOM 0 HB1 ALA A 97 -0.946 9.117 1.636 1.00 21.50 H new ATOM 0 HB2 ALA A 97 -2.455 8.365 2.209 1.00 21.50 H new ATOM 0 HB3 ALA A 97 -1.996 9.987 2.780 1.00 21.50 H new ATOM 1514 N PHE A 98 1.529 8.722 3.899 1.00 3.24 N ATOM 1515 CA PHE A 98 2.766 9.420 4.264 1.00 23.43 C ATOM 1516 C PHE A 98 3.669 9.560 3.047 1.00 65.30 C ATOM 1517 O PHE A 98 3.550 8.814 2.072 1.00 23.15 O ATOM 1518 CB PHE A 98 3.554 8.670 5.369 1.00 45.24 C ATOM 1519 CG PHE A 98 2.739 8.066 6.504 1.00 11.44 C ATOM 1520 CD1 PHE A 98 2.351 8.831 7.591 1.00 60.05 C ATOM 1521 CD2 PHE A 98 2.370 6.721 6.483 1.00 50.42 C ATOM 1522 CE1 PHE A 98 1.617 8.281 8.619 1.00 63.24 C ATOM 1523 CE2 PHE A 98 1.641 6.175 7.516 1.00 4.55 C ATOM 1524 CZ PHE A 98 1.264 6.955 8.582 1.00 33.24 C ATOM 0 H PHE A 98 1.682 7.796 3.499 1.00 3.24 H new ATOM 0 HA PHE A 98 2.475 10.399 4.643 1.00 23.43 H new ATOM 0 HB2 PHE A 98 4.123 7.870 4.896 1.00 45.24 H new ATOM 0 HB3 PHE A 98 4.276 9.363 5.801 1.00 45.24 H new ATOM 0 HD1 PHE A 98 2.628 9.874 7.634 1.00 60.05 H new ATOM 0 HD2 PHE A 98 2.659 6.101 5.647 1.00 50.42 H new ATOM 0 HE1 PHE A 98 1.319 8.895 9.456 1.00 63.24 H new ATOM 0 HE2 PHE A 98 1.365 5.131 7.488 1.00 4.55 H new ATOM 0 HZ PHE A 98 0.691 6.525 9.390 1.00 33.24 H new ATOM 1534 N ARG A 99 4.589 10.527 3.152 1.00 21.11 N ATOM 1535 CA ARG A 99 5.569 10.875 2.109 1.00 45.30 C ATOM 1536 C ARG A 99 6.848 11.274 2.841 1.00 23.52 C ATOM 1537 O ARG A 99 6.744 12.005 3.829 1.00 43.24 O ATOM 1538 CB ARG A 99 5.037 12.057 1.242 1.00 72.33 C ATOM 1539 CG ARG A 99 3.653 11.792 0.615 1.00 55.55 C ATOM 1540 CD ARG A 99 2.997 13.017 -0.020 1.00 42.23 C ATOM 1541 NE ARG A 99 3.410 13.254 -1.409 1.00 65.41 N ATOM 1542 CZ ARG A 99 2.742 14.022 -2.283 1.00 51.54 C ATOM 1543 NH1 ARG A 99 1.619 14.649 -1.926 1.00 73.41 N ATOM 1544 NH2 ARG A 99 3.202 14.156 -3.515 1.00 24.01 N ATOM 0 H ARG A 99 4.677 11.106 3.987 1.00 21.11 H new ATOM 0 HA ARG A 99 5.749 10.038 1.434 1.00 45.30 H new ATOM 0 HB2 ARG A 99 4.980 12.953 1.860 1.00 72.33 H new ATOM 0 HB3 ARG A 99 5.753 12.263 0.446 1.00 72.33 H new ATOM 0 HG2 ARG A 99 3.755 11.016 -0.144 1.00 55.55 H new ATOM 0 HG3 ARG A 99 2.989 11.399 1.385 1.00 55.55 H new ATOM 0 HD2 ARG A 99 1.914 12.896 0.012 1.00 42.23 H new ATOM 0 HD3 ARG A 99 3.237 13.897 0.576 1.00 42.23 H new ATOM 0 HE ARG A 99 4.266 12.803 -1.732 1.00 65.41 H new ATOM 0 HH11 ARG A 99 1.258 14.548 -0.978 1.00 73.41 H new ATOM 0 HH12 ARG A 99 1.122 15.230 -2.602 1.00 73.41 H new ATOM 0 HH21 ARG A 99 4.058 13.677 -3.795 1.00 24.01 H new ATOM 0 HH22 ARG A 99 2.701 14.738 -4.186 1.00 24.01 H new ATOM 1558 N GLN A 100 8.021 10.787 2.372 1.00 34.35 N ATOM 1559 CA GLN A 100 9.317 10.928 3.091 1.00 31.12 C ATOM 1560 C GLN A 100 9.574 12.355 3.643 1.00 63.22 C ATOM 1561 O GLN A 100 9.396 12.590 4.849 1.00 13.32 O ATOM 1562 CB GLN A 100 10.488 10.472 2.157 1.00 54.41 C ATOM 1563 CG GLN A 100 10.740 8.945 2.093 1.00 24.34 C ATOM 1564 CD GLN A 100 11.663 8.391 3.202 1.00 30.10 C ATOM 1565 OE1 GLN A 100 11.668 8.993 4.393 1.00 73.03 O flip ATOM 1566 NE2 GLN A 100 12.365 7.408 2.989 1.00 23.14 N flip ATOM 0 H GLN A 100 8.099 10.286 1.487 1.00 34.35 H new ATOM 0 HA GLN A 100 9.265 10.282 3.967 1.00 31.12 H new ATOM 0 HB2 GLN A 100 10.284 10.831 1.148 1.00 54.41 H new ATOM 0 HB3 GLN A 100 11.404 10.959 2.490 1.00 54.41 H new ATOM 0 HG2 GLN A 100 9.781 8.430 2.148 1.00 24.34 H new ATOM 0 HG3 GLN A 100 11.176 8.704 1.124 1.00 24.34 H new ATOM 0 HE21 GLN A 100 12.350 6.959 2.073 1.00 23.14 H new ATOM 0 HE22 GLN A 100 12.964 7.039 3.728 1.00 23.14 H new ATOM 1575 N ALA A 101 9.959 13.304 2.770 1.00 72.54 N ATOM 1576 CA ALA A 101 10.138 14.717 3.162 1.00 34.21 C ATOM 1577 C ALA A 101 9.183 15.632 2.373 1.00 64.31 C ATOM 1578 O ALA A 101 8.173 16.102 2.894 1.00 21.11 O ATOM 1579 CB ALA A 101 11.614 15.134 2.979 1.00 33.11 C ATOM 0 H ALA A 101 10.153 13.119 1.786 1.00 72.54 H new ATOM 0 HA ALA A 101 9.886 14.826 4.217 1.00 34.21 H new ATOM 0 HB1 ALA A 101 11.736 16.177 3.270 1.00 33.11 H new ATOM 0 HB2 ALA A 101 12.250 14.506 3.603 1.00 33.11 H new ATOM 0 HB3 ALA A 101 11.899 15.014 1.934 1.00 33.11 H new ATOM 1585 N ALA A 102 9.516 15.853 1.089 1.00 15.52 N ATOM 1586 CA ALA A 102 8.824 16.802 0.198 1.00 62.24 C ATOM 1587 C ALA A 102 8.464 16.136 -1.139 1.00 64.40 C ATOM 1588 O ALA A 102 8.646 16.754 -2.199 1.00 15.13 O ATOM 1589 CB ALA A 102 9.713 18.054 0.004 1.00 70.55 C ATOM 0 H ALA A 102 10.288 15.368 0.633 1.00 15.52 H new ATOM 0 HA ALA A 102 7.884 17.114 0.652 1.00 62.24 H new ATOM 0 HB1 ALA A 102 9.208 18.761 -0.654 1.00 70.55 H new ATOM 0 HB2 ALA A 102 9.895 18.524 0.970 1.00 70.55 H new ATOM 0 HB3 ALA A 102 10.664 17.760 -0.441 1.00 70.55 H new ATOM 1595 N ASP A 103 7.980 14.866 -1.077 1.00 45.14 N ATOM 1596 CA ASP A 103 7.680 14.017 -2.267 1.00 42.31 C ATOM 1597 C ASP A 103 6.901 14.774 -3.365 1.00 71.52 C ATOM 1598 O ASP A 103 5.810 15.300 -3.128 1.00 23.11 O ATOM 1599 CB ASP A 103 6.892 12.748 -1.836 1.00 60.44 C ATOM 1600 CG ASP A 103 6.399 11.878 -3.026 1.00 34.51 C ATOM 1601 OD1 ASP A 103 7.141 10.994 -3.483 1.00 11.42 O ATOM 1602 OD2 ASP A 103 5.266 12.096 -3.515 1.00 11.10 O ATOM 0 H ASP A 103 7.785 14.397 -0.193 1.00 45.14 H new ATOM 0 HA ASP A 103 8.639 13.730 -2.698 1.00 42.31 H new ATOM 0 HB2 ASP A 103 7.527 12.139 -1.192 1.00 60.44 H new ATOM 0 HB3 ASP A 103 6.032 13.052 -1.240 1.00 60.44 H new ATOM 1607 N GLU A 104 7.508 14.821 -4.549 1.00 31.15 N ATOM 1608 CA GLU A 104 6.939 15.408 -5.772 1.00 52.12 C ATOM 1609 C GLU A 104 6.415 14.301 -6.724 1.00 72.11 C ATOM 1610 O GLU A 104 5.751 14.596 -7.725 1.00 21.40 O ATOM 1611 CB GLU A 104 8.058 16.235 -6.455 1.00 64.12 C ATOM 1612 CG GLU A 104 8.691 17.308 -5.542 1.00 14.23 C ATOM 1613 CD GLU A 104 9.930 17.970 -6.162 1.00 23.51 C ATOM 1614 OE1 GLU A 104 9.773 18.845 -7.038 1.00 34.45 O ATOM 1615 OE2 GLU A 104 11.066 17.621 -5.777 1.00 53.24 O ATOM 0 H GLU A 104 8.443 14.439 -4.694 1.00 31.15 H new ATOM 0 HA GLU A 104 6.090 16.046 -5.526 1.00 52.12 H new ATOM 0 HB2 GLU A 104 8.840 15.557 -6.797 1.00 64.12 H new ATOM 0 HB3 GLU A 104 7.648 16.721 -7.340 1.00 64.12 H new ATOM 0 HG2 GLU A 104 7.948 18.075 -5.323 1.00 14.23 H new ATOM 0 HG3 GLU A 104 8.967 16.851 -4.592 1.00 14.23 H new ATOM 1622 N SER A 105 6.719 13.021 -6.390 1.00 53.41 N ATOM 1623 CA SER A 105 6.421 11.846 -7.250 1.00 23.05 C ATOM 1624 C SER A 105 4.994 11.278 -7.062 1.00 10.25 C ATOM 1625 O SER A 105 4.727 10.154 -7.508 1.00 21.24 O ATOM 1626 CB SER A 105 7.473 10.742 -6.972 1.00 14.41 C ATOM 1627 OG SER A 105 8.788 11.201 -7.246 1.00 12.40 O ATOM 0 H SER A 105 7.179 12.774 -5.514 1.00 53.41 H new ATOM 0 HA SER A 105 6.472 12.186 -8.285 1.00 23.05 H new ATOM 0 HB2 SER A 105 7.405 10.426 -5.931 1.00 14.41 H new ATOM 0 HB3 SER A 105 7.256 9.867 -7.585 1.00 14.41 H new ATOM 0 HG SER A 105 9.430 10.484 -7.060 1.00 12.40 H new ATOM 1633 N ARG A 106 4.090 12.055 -6.403 1.00 22.50 N ATOM 1634 CA ARG A 106 2.648 11.691 -6.190 1.00 62.43 C ATOM 1635 C ARG A 106 2.496 10.430 -5.296 1.00 25.21 C ATOM 1636 O ARG A 106 1.397 9.905 -5.136 1.00 1.24 O ATOM 1637 CB ARG A 106 1.902 11.478 -7.554 1.00 71.45 C ATOM 1638 CG ARG A 106 2.066 12.604 -8.614 1.00 34.25 C ATOM 1639 CD ARG A 106 1.378 13.941 -8.264 1.00 25.44 C ATOM 1640 NE ARG A 106 2.063 14.696 -7.184 1.00 22.34 N ATOM 1641 CZ ARG A 106 2.768 15.832 -7.348 1.00 11.24 C ATOM 1642 NH1 ARG A 106 2.904 16.390 -8.541 1.00 62.43 N ATOM 1643 NH2 ARG A 106 3.313 16.421 -6.293 1.00 14.40 N ATOM 0 H ARG A 106 4.337 12.959 -6.000 1.00 22.50 H new ATOM 0 HA ARG A 106 2.187 12.532 -5.671 1.00 62.43 H new ATOM 0 HB2 ARG A 106 2.251 10.543 -7.992 1.00 71.45 H new ATOM 0 HB3 ARG A 106 0.839 11.356 -7.347 1.00 71.45 H new ATOM 0 HG2 ARG A 106 3.130 12.789 -8.763 1.00 34.25 H new ATOM 0 HG3 ARG A 106 1.669 12.247 -9.564 1.00 34.25 H new ATOM 0 HD2 ARG A 106 1.333 14.562 -9.158 1.00 25.44 H new ATOM 0 HD3 ARG A 106 0.350 13.743 -7.962 1.00 25.44 H new ATOM 0 HE ARG A 106 1.994 14.322 -6.237 1.00 22.34 H new ATOM 0 HH11 ARG A 106 2.471 15.959 -9.358 1.00 62.43 H new ATOM 0 HH12 ARG A 106 3.442 17.250 -8.643 1.00 62.43 H new ATOM 0 HH21 ARG A 106 3.197 16.014 -5.365 1.00 14.40 H new ATOM 0 HH22 ARG A 106 3.848 17.281 -6.409 1.00 14.40 H new ATOM 1657 N THR A 107 3.597 9.997 -4.677 1.00 21.50 N ATOM 1658 CA THR A 107 3.692 8.706 -4.003 1.00 23.10 C ATOM 1659 C THR A 107 3.105 8.795 -2.578 1.00 54.55 C ATOM 1660 O THR A 107 3.749 9.304 -1.650 1.00 0.23 O ATOM 1661 CB THR A 107 5.182 8.241 -3.993 1.00 3.42 C ATOM 1662 OG1 THR A 107 5.688 8.260 -5.345 1.00 32.22 O ATOM 1663 CG2 THR A 107 5.366 6.834 -3.402 1.00 72.24 C ATOM 0 H THR A 107 4.457 10.543 -4.631 1.00 21.50 H new ATOM 0 HA THR A 107 3.105 7.963 -4.542 1.00 23.10 H new ATOM 0 HB THR A 107 5.735 8.931 -3.356 1.00 3.42 H new ATOM 0 HG1 THR A 107 6.624 7.971 -5.348 1.00 32.22 H new ATOM 0 HG21 THR A 107 6.422 6.566 -3.422 1.00 72.24 H new ATOM 0 HG22 THR A 107 5.008 6.822 -2.373 1.00 72.24 H new ATOM 0 HG23 THR A 107 4.798 6.114 -3.992 1.00 72.24 H new ATOM 1671 N LEU A 108 1.839 8.365 -2.456 1.00 60.22 N ATOM 1672 CA LEU A 108 1.116 8.274 -1.183 1.00 51.40 C ATOM 1673 C LEU A 108 1.254 6.847 -0.637 1.00 3.35 C ATOM 1674 O LEU A 108 0.665 5.913 -1.184 1.00 12.24 O ATOM 1675 CB LEU A 108 -0.381 8.631 -1.398 1.00 32.15 C ATOM 1676 CG LEU A 108 -0.667 10.053 -1.971 1.00 33.42 C ATOM 1677 CD1 LEU A 108 -2.181 10.271 -2.180 1.00 22.15 C ATOM 1678 CD2 LEU A 108 -0.047 11.157 -1.074 1.00 24.14 C ATOM 0 H LEU A 108 1.281 8.066 -3.256 1.00 60.22 H new ATOM 0 HA LEU A 108 1.536 8.979 -0.465 1.00 51.40 H new ATOM 0 HB2 LEU A 108 -0.817 7.894 -2.073 1.00 32.15 H new ATOM 0 HB3 LEU A 108 -0.898 8.534 -0.443 1.00 32.15 H new ATOM 0 HG LEU A 108 -0.188 10.124 -2.947 1.00 33.42 H new ATOM 0 HD11 LEU A 108 -2.353 11.270 -2.580 1.00 22.15 H new ATOM 0 HD12 LEU A 108 -2.562 9.529 -2.881 1.00 22.15 H new ATOM 0 HD13 LEU A 108 -2.698 10.168 -1.226 1.00 22.15 H new ATOM 0 HD21 LEU A 108 -0.264 12.136 -1.500 1.00 24.14 H new ATOM 0 HD22 LEU A 108 -0.473 11.094 -0.073 1.00 24.14 H new ATOM 0 HD23 LEU A 108 1.032 11.017 -1.018 1.00 24.14 H new ATOM 1690 N PHE A 109 2.028 6.691 0.438 1.00 32.21 N ATOM 1691 CA PHE A 109 2.314 5.380 1.036 1.00 3.35 C ATOM 1692 C PHE A 109 1.304 5.116 2.169 1.00 25.33 C ATOM 1693 O PHE A 109 1.352 5.792 3.205 1.00 40.32 O ATOM 1694 CB PHE A 109 3.775 5.373 1.560 1.00 44.11 C ATOM 1695 CG PHE A 109 4.231 4.039 2.160 1.00 2.20 C ATOM 1696 CD1 PHE A 109 4.496 2.945 1.340 1.00 55.21 C ATOM 1697 CD2 PHE A 109 4.393 3.880 3.538 1.00 42.02 C ATOM 1698 CE1 PHE A 109 4.907 1.741 1.873 1.00 42.03 C ATOM 1699 CE2 PHE A 109 4.804 2.672 4.072 1.00 34.42 C ATOM 1700 CZ PHE A 109 5.061 1.602 3.240 1.00 74.01 C ATOM 0 H PHE A 109 2.476 7.469 0.921 1.00 32.21 H new ATOM 0 HA PHE A 109 2.213 4.585 0.297 1.00 3.35 H new ATOM 0 HB2 PHE A 109 4.443 5.634 0.739 1.00 44.11 H new ATOM 0 HB3 PHE A 109 3.880 6.151 2.316 1.00 44.11 H new ATOM 0 HD1 PHE A 109 4.378 3.041 0.271 1.00 55.21 H new ATOM 0 HD2 PHE A 109 4.194 4.713 4.197 1.00 42.02 H new ATOM 0 HE1 PHE A 109 5.109 0.904 1.221 1.00 42.03 H new ATOM 0 HE2 PHE A 109 4.924 2.566 5.140 1.00 34.42 H new ATOM 0 HZ PHE A 109 5.382 0.658 3.655 1.00 74.01 H new ATOM 1710 N VAL A 110 0.369 4.157 1.958 1.00 11.34 N ATOM 1711 CA VAL A 110 -0.666 3.814 2.960 1.00 74.12 C ATOM 1712 C VAL A 110 -0.436 2.391 3.522 1.00 41.32 C ATOM 1713 O VAL A 110 -0.736 1.384 2.867 1.00 1.02 O ATOM 1714 CB VAL A 110 -2.154 3.973 2.411 1.00 5.33 C ATOM 1715 CG1 VAL A 110 -2.507 5.458 2.150 1.00 55.45 C ATOM 1716 CG2 VAL A 110 -2.423 3.116 1.144 1.00 71.55 C ATOM 0 H VAL A 110 0.312 3.607 1.101 1.00 11.34 H new ATOM 0 HA VAL A 110 -0.560 4.537 3.769 1.00 74.12 H new ATOM 0 HB VAL A 110 -2.808 3.595 3.197 1.00 5.33 H new ATOM 0 HG11 VAL A 110 -3.529 5.529 1.777 1.00 55.45 H new ATOM 0 HG12 VAL A 110 -2.420 6.021 3.079 1.00 55.45 H new ATOM 0 HG13 VAL A 110 -1.821 5.871 1.410 1.00 55.45 H new ATOM 0 HG21 VAL A 110 -3.452 3.265 0.816 1.00 71.55 H new ATOM 0 HG22 VAL A 110 -1.741 3.418 0.349 1.00 71.55 H new ATOM 0 HG23 VAL A 110 -2.265 2.063 1.377 1.00 71.55 H new ATOM 1726 N PRO A 111 0.152 2.264 4.750 1.00 61.42 N ATOM 1727 CA PRO A 111 0.104 0.998 5.491 1.00 34.12 C ATOM 1728 C PRO A 111 -1.359 0.690 5.869 1.00 25.31 C ATOM 1729 O PRO A 111 -2.129 1.616 6.169 1.00 11.24 O ATOM 1730 CB PRO A 111 1.008 1.252 6.741 1.00 34.04 C ATOM 1731 CG PRO A 111 1.789 2.491 6.417 1.00 21.13 C ATOM 1732 CD PRO A 111 0.906 3.302 5.497 1.00 32.43 C ATOM 0 HA PRO A 111 0.457 0.135 4.927 1.00 34.12 H new ATOM 0 HB2 PRO A 111 0.407 1.389 7.640 1.00 34.04 H new ATOM 0 HB3 PRO A 111 1.670 0.406 6.926 1.00 34.04 H new ATOM 0 HG2 PRO A 111 2.030 3.050 7.321 1.00 21.13 H new ATOM 0 HG3 PRO A 111 2.734 2.243 5.934 1.00 21.13 H new ATOM 0 HD2 PRO A 111 0.240 3.960 6.055 1.00 32.43 H new ATOM 0 HD3 PRO A 111 1.492 3.933 4.829 1.00 32.43 H new ATOM 1740 N PHE A 112 -1.750 -0.581 5.809 1.00 72.24 N ATOM 1741 CA PHE A 112 -3.038 -1.041 6.345 1.00 15.30 C ATOM 1742 C PHE A 112 -2.835 -2.426 6.930 1.00 65.53 C ATOM 1743 O PHE A 112 -2.292 -3.286 6.256 1.00 11.24 O ATOM 1744 CB PHE A 112 -4.171 -1.035 5.265 1.00 2.01 C ATOM 1745 CG PHE A 112 -4.178 -2.165 4.222 1.00 20.15 C ATOM 1746 CD1 PHE A 112 -3.426 -2.077 3.059 1.00 32.55 C ATOM 1747 CD2 PHE A 112 -4.959 -3.311 4.414 1.00 62.31 C ATOM 1748 CE1 PHE A 112 -3.457 -3.089 2.127 1.00 1.30 C ATOM 1749 CE2 PHE A 112 -4.986 -4.321 3.481 1.00 12.30 C ATOM 1750 CZ PHE A 112 -4.235 -4.210 2.336 1.00 20.11 C ATOM 0 H PHE A 112 -1.188 -1.322 5.390 1.00 72.24 H new ATOM 0 HA PHE A 112 -3.370 -0.351 7.120 1.00 15.30 H new ATOM 0 HB2 PHE A 112 -5.129 -1.054 5.785 1.00 2.01 H new ATOM 0 HB3 PHE A 112 -4.118 -0.087 4.730 1.00 2.01 H new ATOM 0 HD1 PHE A 112 -2.811 -1.207 2.884 1.00 32.55 H new ATOM 0 HD2 PHE A 112 -5.552 -3.404 5.312 1.00 62.31 H new ATOM 0 HE1 PHE A 112 -2.868 -3.006 1.225 1.00 1.30 H new ATOM 0 HE2 PHE A 112 -5.595 -5.197 3.648 1.00 12.30 H new ATOM 0 HZ PHE A 112 -4.253 -5.000 1.599 1.00 20.11 H new ATOM 1760 N ARG A 113 -3.227 -2.647 8.183 1.00 55.21 N ATOM 1761 CA ARG A 113 -3.161 -3.980 8.789 1.00 53.43 C ATOM 1762 C ARG A 113 -4.580 -4.509 8.967 1.00 42.12 C ATOM 1763 O ARG A 113 -5.404 -3.861 9.610 1.00 11.30 O ATOM 1764 CB ARG A 113 -2.409 -3.950 10.135 1.00 74.13 C ATOM 1765 CG ARG A 113 -2.231 -5.356 10.738 1.00 3.54 C ATOM 1766 CD ARG A 113 -1.442 -5.364 12.045 1.00 55.30 C ATOM 1767 NE ARG A 113 -1.201 -6.745 12.510 1.00 12.30 N ATOM 1768 CZ ARG A 113 -0.165 -7.136 13.258 1.00 4.25 C ATOM 1769 NH1 ARG A 113 0.754 -6.261 13.639 1.00 45.45 N ATOM 1770 NH2 ARG A 113 -0.040 -8.409 13.605 1.00 33.35 N ATOM 0 H ARG A 113 -3.594 -1.922 8.800 1.00 55.21 H new ATOM 0 HA ARG A 113 -2.603 -4.645 8.130 1.00 53.43 H new ATOM 0 HB2 ARG A 113 -1.430 -3.492 9.991 1.00 74.13 H new ATOM 0 HB3 ARG A 113 -2.954 -3.322 10.839 1.00 74.13 H new ATOM 0 HG2 ARG A 113 -3.213 -5.794 10.914 1.00 3.54 H new ATOM 0 HG3 ARG A 113 -1.723 -5.992 10.013 1.00 3.54 H new ATOM 0 HD2 ARG A 113 -0.490 -4.853 11.902 1.00 55.30 H new ATOM 0 HD3 ARG A 113 -1.989 -4.810 12.808 1.00 55.30 H new ATOM 0 HE ARG A 113 -1.879 -7.457 12.239 1.00 12.30 H new ATOM 0 HH11 ARG A 113 0.673 -5.283 13.361 1.00 45.45 H new ATOM 0 HH12 ARG A 113 1.542 -6.566 14.210 1.00 45.45 H new ATOM 0 HH21 ARG A 113 -0.735 -9.091 13.301 1.00 33.35 H new ATOM 0 HH22 ARG A 113 0.751 -8.707 14.176 1.00 33.35 H new ATOM 1784 N ASP A 114 -4.869 -5.689 8.397 1.00 53.33 N ATOM 1785 CA ASP A 114 -6.215 -6.277 8.409 1.00 22.15 C ATOM 1786 C ASP A 114 -6.165 -7.634 9.147 1.00 60.44 C ATOM 1787 O ASP A 114 -5.111 -8.026 9.670 1.00 71.15 O ATOM 1788 CB ASP A 114 -6.746 -6.403 6.958 1.00 41.31 C ATOM 1789 CG ASP A 114 -6.088 -7.539 6.174 1.00 35.34 C ATOM 1790 OD1 ASP A 114 -4.898 -7.423 5.804 1.00 43.12 O ATOM 1791 OD2 ASP A 114 -6.764 -8.557 5.949 1.00 53.43 O ATOM 0 H ASP A 114 -4.176 -6.261 7.915 1.00 53.33 H new ATOM 0 HA ASP A 114 -6.912 -5.634 8.946 1.00 22.15 H new ATOM 0 HB2 ASP A 114 -7.824 -6.565 6.985 1.00 41.31 H new ATOM 0 HB3 ASP A 114 -6.578 -5.463 6.433 1.00 41.31 H new ATOM 1796 N LYS A 115 -7.289 -8.369 9.157 1.00 30.45 N ATOM 1797 CA LYS A 115 -7.457 -9.565 10.011 1.00 1.13 C ATOM 1798 C LYS A 115 -6.978 -10.865 9.355 1.00 23.04 C ATOM 1799 O LYS A 115 -6.903 -11.875 10.047 1.00 33.30 O ATOM 1800 CB LYS A 115 -8.929 -9.707 10.469 1.00 34.51 C ATOM 1801 CG LYS A 115 -9.506 -8.454 11.162 1.00 51.23 C ATOM 1802 CD LYS A 115 -8.658 -7.935 12.341 1.00 22.12 C ATOM 1803 CE LYS A 115 -8.568 -8.939 13.493 1.00 41.34 C ATOM 1804 NZ LYS A 115 -7.647 -8.485 14.566 1.00 12.13 N ATOM 0 H LYS A 115 -8.103 -8.157 8.580 1.00 30.45 H new ATOM 0 HA LYS A 115 -6.816 -9.405 10.878 1.00 1.13 H new ATOM 0 HB2 LYS A 115 -9.545 -9.943 9.602 1.00 34.51 H new ATOM 0 HB3 LYS A 115 -9.004 -10.552 11.153 1.00 34.51 H new ATOM 0 HG2 LYS A 115 -9.606 -7.658 10.424 1.00 51.23 H new ATOM 0 HG3 LYS A 115 -10.509 -8.682 11.523 1.00 51.23 H new ATOM 0 HD2 LYS A 115 -7.653 -7.704 11.986 1.00 22.12 H new ATOM 0 HD3 LYS A 115 -9.088 -7.003 12.709 1.00 22.12 H new ATOM 0 HE2 LYS A 115 -9.561 -9.097 13.913 1.00 41.34 H new ATOM 0 HE3 LYS A 115 -8.228 -9.901 13.108 1.00 41.34 H new ATOM 0 HZ1 LYS A 115 -7.619 -9.197 15.324 1.00 12.13 H new ATOM 0 HZ2 LYS A 115 -6.692 -8.359 14.174 1.00 12.13 H new ATOM 0 HZ3 LYS A 115 -7.984 -7.581 14.953 1.00 12.13 H new ATOM 1818 N THR A 116 -6.669 -10.860 8.039 1.00 25.24 N ATOM 1819 CA THR A 116 -5.999 -12.020 7.405 1.00 41.32 C ATOM 1820 C THR A 116 -4.603 -12.204 8.026 1.00 4.32 C ATOM 1821 O THR A 116 -4.157 -13.338 8.253 1.00 74.41 O ATOM 1822 CB THR A 116 -5.865 -11.904 5.851 1.00 5.33 C ATOM 1823 OG1 THR A 116 -5.064 -10.773 5.506 1.00 14.13 O ATOM 1824 CG2 THR A 116 -7.230 -11.813 5.159 1.00 14.25 C ATOM 0 H THR A 116 -6.867 -10.085 7.406 1.00 25.24 H new ATOM 0 HA THR A 116 -6.634 -12.885 7.595 1.00 41.32 H new ATOM 0 HB THR A 116 -5.379 -12.814 5.499 1.00 5.33 H new ATOM 0 HG1 THR A 116 -5.608 -9.960 5.555 1.00 14.13 H new ATOM 0 HG21 THR A 116 -7.087 -11.734 4.081 1.00 14.25 H new ATOM 0 HG22 THR A 116 -7.812 -12.707 5.383 1.00 14.25 H new ATOM 0 HG23 THR A 116 -7.763 -10.933 5.520 1.00 14.25 H new ATOM 1832 N THR A 117 -3.968 -11.059 8.365 1.00 21.12 N ATOM 1833 CA THR A 117 -2.623 -11.015 8.943 1.00 44.22 C ATOM 1834 C THR A 117 -2.636 -11.717 10.322 1.00 11.00 C ATOM 1835 O THR A 117 -3.454 -11.379 11.186 1.00 43.04 O ATOM 1836 CB THR A 117 -2.123 -9.530 9.075 1.00 72.45 C ATOM 1837 OG1 THR A 117 -2.167 -8.888 7.791 1.00 72.31 O ATOM 1838 CG2 THR A 117 -0.692 -9.431 9.637 1.00 23.21 C ATOM 0 H THR A 117 -4.386 -10.137 8.241 1.00 21.12 H new ATOM 0 HA THR A 117 -1.931 -11.539 8.283 1.00 44.22 H new ATOM 0 HB THR A 117 -2.790 -9.032 9.779 1.00 72.45 H new ATOM 0 HG1 THR A 117 -1.856 -7.962 7.877 1.00 72.31 H new ATOM 0 HG21 THR A 117 -0.400 -8.383 9.706 1.00 23.21 H new ATOM 0 HG22 THR A 117 -0.658 -9.883 10.628 1.00 23.21 H new ATOM 0 HG23 THR A 117 -0.004 -9.957 8.975 1.00 23.21 H new ATOM 1846 N GLY A 118 -1.735 -12.690 10.492 1.00 52.03 N ATOM 1847 CA GLY A 118 -1.658 -13.511 11.705 1.00 61.10 C ATOM 1848 C GLY A 118 -2.848 -14.425 11.970 1.00 12.12 C ATOM 1849 O GLY A 118 -3.031 -14.871 13.105 1.00 2.41 O ATOM 0 H GLY A 118 -1.036 -12.931 9.790 1.00 52.03 H new ATOM 0 HA2 GLY A 118 -0.759 -14.125 11.648 1.00 61.10 H new ATOM 0 HA3 GLY A 118 -1.537 -12.848 12.562 1.00 61.10 H new ATOM 1853 N GLN A 119 -3.656 -14.716 10.941 1.00 64.51 N ATOM 1854 CA GLN A 119 -4.757 -15.696 11.032 1.00 60.12 C ATOM 1855 C GLN A 119 -4.630 -16.684 9.864 1.00 23.24 C ATOM 1856 O GLN A 119 -4.010 -17.742 10.014 1.00 13.02 O ATOM 1857 CB GLN A 119 -6.147 -14.992 11.060 1.00 63.01 C ATOM 1858 CG GLN A 119 -6.395 -14.062 12.273 1.00 22.33 C ATOM 1859 CD GLN A 119 -6.344 -14.761 13.638 1.00 65.31 C ATOM 1860 OE1 GLN A 119 -6.643 -15.949 13.766 1.00 4.24 O ATOM 1861 NE2 GLN A 119 -5.984 -14.020 14.676 1.00 3.31 N ATOM 0 H GLN A 119 -3.568 -14.282 10.022 1.00 64.51 H new ATOM 0 HA GLN A 119 -4.683 -16.246 11.970 1.00 60.12 H new ATOM 0 HB2 GLN A 119 -6.258 -14.408 10.147 1.00 63.01 H new ATOM 0 HB3 GLN A 119 -6.923 -15.757 11.045 1.00 63.01 H new ATOM 0 HG2 GLN A 119 -5.652 -13.265 12.260 1.00 22.33 H new ATOM 0 HG3 GLN A 119 -7.371 -13.590 12.158 1.00 22.33 H new ATOM 0 HE21 GLN A 119 -5.741 -13.038 14.542 1.00 3.31 H new ATOM 0 HE22 GLN A 119 -5.950 -14.431 15.609 1.00 3.31 H new ATOM 1870 N GLN A 120 -5.150 -16.305 8.677 1.00 14.03 N ATOM 1871 CA GLN A 120 -5.048 -17.137 7.451 1.00 22.42 C ATOM 1872 C GLN A 120 -3.897 -16.646 6.555 1.00 51.05 C ATOM 1873 O GLN A 120 -3.779 -17.070 5.412 1.00 34.23 O ATOM 1874 CB GLN A 120 -6.401 -17.185 6.657 1.00 23.23 C ATOM 1875 CG GLN A 120 -6.954 -15.839 6.106 1.00 70.14 C ATOM 1876 CD GLN A 120 -7.886 -15.089 7.072 1.00 3.51 C ATOM 1877 OE1 GLN A 120 -7.729 -15.149 8.284 1.00 0.43 O ATOM 1878 NE2 GLN A 120 -8.875 -14.387 6.543 1.00 63.15 N ATOM 0 H GLN A 120 -5.647 -15.425 8.538 1.00 14.03 H new ATOM 0 HA GLN A 120 -4.828 -18.157 7.767 1.00 22.42 H new ATOM 0 HB2 GLN A 120 -6.274 -17.867 5.816 1.00 23.23 H new ATOM 0 HB3 GLN A 120 -7.159 -17.620 7.309 1.00 23.23 H new ATOM 0 HG2 GLN A 120 -6.114 -15.191 5.855 1.00 70.14 H new ATOM 0 HG3 GLN A 120 -7.493 -16.035 5.179 1.00 70.14 H new ATOM 0 HE21 GLN A 120 -8.989 -14.350 5.530 1.00 63.15 H new ATOM 0 HE22 GLN A 120 -9.523 -13.883 7.148 1.00 63.15 H new ATOM 1887 N SER A 121 -3.013 -15.814 7.129 1.00 5.31 N ATOM 1888 CA SER A 121 -1.865 -15.210 6.430 1.00 40.14 C ATOM 1889 C SER A 121 -0.714 -15.033 7.417 1.00 5.45 C ATOM 1890 O SER A 121 -0.908 -15.178 8.635 1.00 24.13 O ATOM 1891 CB SER A 121 -2.230 -13.835 5.810 1.00 31.31 C ATOM 1892 OG SER A 121 -3.385 -13.908 4.989 1.00 3.12 O ATOM 0 H SER A 121 -3.076 -15.537 8.109 1.00 5.31 H new ATOM 0 HA SER A 121 -1.572 -15.876 5.618 1.00 40.14 H new ATOM 0 HB2 SER A 121 -2.398 -13.112 6.608 1.00 31.31 H new ATOM 0 HB3 SER A 121 -1.389 -13.469 5.220 1.00 31.31 H new ATOM 0 HG SER A 121 -3.507 -13.056 4.520 1.00 3.12 H new ATOM 1898 N TYR A 122 0.478 -14.723 6.871 1.00 21.14 N ATOM 1899 CA TYR A 122 1.670 -14.339 7.659 1.00 55.43 C ATOM 1900 C TYR A 122 1.347 -13.208 8.664 1.00 11.41 C ATOM 1901 O TYR A 122 0.552 -12.301 8.371 1.00 33.43 O ATOM 1902 CB TYR A 122 2.844 -13.931 6.702 1.00 20.31 C ATOM 1903 CG TYR A 122 2.464 -12.919 5.589 1.00 0.31 C ATOM 1904 CD1 TYR A 122 2.264 -11.565 5.874 1.00 1.12 C ATOM 1905 CD2 TYR A 122 2.276 -13.328 4.262 1.00 1.41 C ATOM 1906 CE1 TYR A 122 1.898 -10.674 4.894 1.00 11.44 C ATOM 1907 CE2 TYR A 122 1.905 -12.433 3.278 1.00 32.11 C ATOM 1908 CZ TYR A 122 1.716 -11.108 3.598 1.00 42.02 C ATOM 1909 OH TYR A 122 1.337 -10.206 2.626 1.00 61.04 O ATOM 0 H TYR A 122 0.644 -14.731 5.865 1.00 21.14 H new ATOM 0 HA TYR A 122 1.985 -15.204 8.242 1.00 55.43 H new ATOM 0 HB2 TYR A 122 3.648 -13.504 7.301 1.00 20.31 H new ATOM 0 HB3 TYR A 122 3.240 -14.832 6.233 1.00 20.31 H new ATOM 0 HD1 TYR A 122 2.400 -11.212 6.886 1.00 1.12 H new ATOM 0 HD2 TYR A 122 2.425 -14.366 4.003 1.00 1.41 H new ATOM 0 HE1 TYR A 122 1.753 -9.632 5.139 1.00 11.44 H new ATOM 0 HE2 TYR A 122 1.764 -12.771 2.262 1.00 32.11 H new ATOM 0 HH TYR A 122 1.252 -10.668 1.766 1.00 61.04 H new ATOM 1919 N ASP A 123 1.981 -13.278 9.843 1.00 33.13 N ATOM 1920 CA ASP A 123 1.771 -12.319 10.949 1.00 13.35 C ATOM 1921 C ASP A 123 2.758 -11.128 10.847 1.00 65.31 C ATOM 1922 O ASP A 123 2.988 -10.388 11.811 1.00 64.44 O ATOM 1923 CB ASP A 123 1.881 -13.083 12.302 1.00 51.23 C ATOM 1924 CG ASP A 123 1.509 -12.231 13.527 1.00 71.21 C ATOM 1925 OD1 ASP A 123 0.405 -11.649 13.542 1.00 55.52 O ATOM 1926 OD2 ASP A 123 2.322 -12.120 14.467 1.00 53.42 O ATOM 0 H ASP A 123 2.661 -14.006 10.063 1.00 33.13 H new ATOM 0 HA ASP A 123 0.774 -11.884 10.885 1.00 13.35 H new ATOM 0 HB2 ASP A 123 1.232 -13.958 12.269 1.00 51.23 H new ATOM 0 HB3 ASP A 123 2.901 -13.448 12.421 1.00 51.23 H new ATOM 1931 N GLY A 124 3.309 -10.924 9.638 1.00 12.32 N ATOM 1932 CA GLY A 124 4.221 -9.830 9.370 1.00 10.13 C ATOM 1933 C GLY A 124 3.509 -8.502 9.180 1.00 24.23 C ATOM 1934 O GLY A 124 2.576 -8.165 9.922 1.00 40.33 O ATOM 0 H GLY A 124 3.127 -11.519 8.830 1.00 12.32 H new ATOM 0 HA2 GLY A 124 4.929 -9.743 10.195 1.00 10.13 H new ATOM 0 HA3 GLY A 124 4.801 -10.057 8.475 1.00 10.13 H new ATOM 1938 N GLY A 125 3.954 -7.750 8.180 1.00 1.23 N ATOM 1939 CA GLY A 125 3.363 -6.461 7.856 1.00 55.05 C ATOM 1940 C GLY A 125 2.285 -6.589 6.796 1.00 34.31 C ATOM 1941 O GLY A 125 2.104 -7.660 6.199 1.00 52.14 O ATOM 0 H GLY A 125 4.731 -8.016 7.575 1.00 1.23 H new ATOM 0 HA2 GLY A 125 2.937 -6.019 8.757 1.00 55.05 H new ATOM 0 HA3 GLY A 125 4.140 -5.782 7.505 1.00 55.05 H new ATOM 1945 N ARG A 126 1.542 -5.506 6.586 1.00 62.51 N ATOM 1946 CA ARG A 126 0.596 -5.385 5.472 1.00 60.33 C ATOM 1947 C ARG A 126 0.526 -3.907 5.063 1.00 51.31 C ATOM 1948 O ARG A 126 0.462 -3.022 5.936 1.00 53.13 O ATOM 1949 CB ARG A 126 -0.800 -5.929 5.891 1.00 11.01 C ATOM 1950 CG ARG A 126 -1.821 -6.055 4.735 1.00 43.31 C ATOM 1951 CD ARG A 126 -1.348 -7.023 3.638 1.00 11.43 C ATOM 1952 NE ARG A 126 -0.932 -8.319 4.213 1.00 13.14 N ATOM 1953 CZ ARG A 126 -1.779 -9.307 4.592 1.00 50.03 C ATOM 1954 NH1 ARG A 126 -3.083 -9.155 4.475 1.00 71.43 N ATOM 1955 NH2 ARG A 126 -1.323 -10.419 5.139 1.00 11.21 N ATOM 0 H ARG A 126 1.577 -4.681 7.185 1.00 62.51 H new ATOM 0 HA ARG A 126 0.929 -5.978 4.620 1.00 60.33 H new ATOM 0 HB2 ARG A 126 -0.670 -6.909 6.350 1.00 11.01 H new ATOM 0 HB3 ARG A 126 -1.216 -5.272 6.655 1.00 11.01 H new ATOM 0 HG2 ARG A 126 -2.776 -6.400 5.133 1.00 43.31 H new ATOM 0 HG3 ARG A 126 -1.994 -5.072 4.298 1.00 43.31 H new ATOM 0 HD2 ARG A 126 -2.151 -7.182 2.919 1.00 11.43 H new ATOM 0 HD3 ARG A 126 -0.515 -6.580 3.093 1.00 11.43 H new ATOM 0 HE ARG A 126 0.068 -8.482 4.334 1.00 13.14 H new ATOM 0 HH11 ARG A 126 -3.463 -8.288 4.096 1.00 71.43 H new ATOM 0 HH12 ARG A 126 -3.712 -9.905 4.763 1.00 71.43 H new ATOM 0 HH21 ARG A 126 -0.321 -10.543 5.282 1.00 11.21 H new ATOM 0 HH22 ARG A 126 -1.973 -11.153 5.419 1.00 11.21 H new ATOM 1969 N TYR A 127 0.576 -3.633 3.744 1.00 41.31 N ATOM 1970 CA TYR A 127 0.613 -2.253 3.237 1.00 64.10 C ATOM 1971 C TYR A 127 0.212 -2.170 1.761 1.00 1.30 C ATOM 1972 O TYR A 127 0.069 -3.190 1.072 1.00 44.11 O ATOM 1973 CB TYR A 127 2.026 -1.642 3.467 1.00 73.41 C ATOM 1974 CG TYR A 127 3.165 -2.258 2.627 1.00 45.23 C ATOM 1975 CD1 TYR A 127 3.629 -3.551 2.881 1.00 22.34 C ATOM 1976 CD2 TYR A 127 3.782 -1.545 1.592 1.00 23.13 C ATOM 1977 CE1 TYR A 127 4.651 -4.094 2.142 1.00 2.34 C ATOM 1978 CE2 TYR A 127 4.812 -2.095 0.856 1.00 31.22 C ATOM 1979 CZ TYR A 127 5.242 -3.370 1.135 1.00 23.45 C ATOM 1980 OH TYR A 127 6.271 -3.924 0.405 1.00 50.30 O ATOM 0 H TYR A 127 0.592 -4.348 3.016 1.00 41.31 H new ATOM 0 HA TYR A 127 -0.121 -1.671 3.794 1.00 64.10 H new ATOM 0 HB2 TYR A 127 1.979 -0.574 3.254 1.00 73.41 H new ATOM 0 HB3 TYR A 127 2.280 -1.746 4.522 1.00 73.41 H new ATOM 0 HD1 TYR A 127 3.177 -4.133 3.671 1.00 22.34 H new ATOM 0 HD2 TYR A 127 3.445 -0.544 1.365 1.00 23.13 H new ATOM 0 HE1 TYR A 127 4.992 -5.097 2.354 1.00 2.34 H new ATOM 0 HE2 TYR A 127 5.278 -1.526 0.065 1.00 31.22 H new ATOM 0 HH TYR A 127 6.142 -4.893 0.341 1.00 50.30 H new ATOM 1990 N MET A 128 0.068 -0.925 1.299 1.00 61.02 N ATOM 1991 CA MET A 128 -0.389 -0.585 -0.054 1.00 3.01 C ATOM 1992 C MET A 128 0.170 0.819 -0.381 1.00 45.11 C ATOM 1993 O MET A 128 0.723 1.491 0.506 1.00 31.23 O ATOM 1994 CB MET A 128 -1.962 -0.637 -0.103 1.00 33.32 C ATOM 1995 CG MET A 128 -2.579 -1.051 -1.458 1.00 21.24 C ATOM 1996 SD MET A 128 -2.643 0.287 -2.669 1.00 42.23 S ATOM 1997 CE MET A 128 -3.987 1.278 -2.013 1.00 1.02 C ATOM 0 H MET A 128 0.271 -0.104 1.869 1.00 61.02 H new ATOM 0 HA MET A 128 -0.030 -1.293 -0.801 1.00 3.01 H new ATOM 0 HB2 MET A 128 -2.308 -1.334 0.660 1.00 33.32 H new ATOM 0 HB3 MET A 128 -2.348 0.347 0.165 1.00 33.32 H new ATOM 0 HG2 MET A 128 -2.001 -1.877 -1.873 1.00 21.24 H new ATOM 0 HG3 MET A 128 -3.589 -1.423 -1.288 1.00 21.24 H new ATOM 0 HE1 MET A 128 -4.418 1.881 -2.812 1.00 1.02 H new ATOM 0 HE2 MET A 128 -4.753 0.623 -1.598 1.00 1.02 H new ATOM 0 HE3 MET A 128 -3.607 1.933 -1.229 1.00 1.02 H new ATOM 2007 N GLU A 129 0.068 1.250 -1.640 1.00 71.11 N ATOM 2008 CA GLU A 129 0.564 2.573 -2.068 1.00 13.43 C ATOM 2009 C GLU A 129 -0.154 3.021 -3.353 1.00 43.31 C ATOM 2010 O GLU A 129 -0.485 2.194 -4.210 1.00 14.23 O ATOM 2011 CB GLU A 129 2.100 2.496 -2.274 1.00 44.52 C ATOM 2012 CG GLU A 129 2.799 3.785 -2.730 1.00 51.32 C ATOM 2013 CD GLU A 129 4.307 3.573 -2.917 1.00 44.52 C ATOM 2014 OE1 GLU A 129 5.061 3.733 -1.930 1.00 34.12 O ATOM 2015 OE2 GLU A 129 4.738 3.215 -4.035 1.00 71.53 O ATOM 0 H GLU A 129 -0.355 0.703 -2.390 1.00 71.11 H new ATOM 0 HA GLU A 129 0.352 3.316 -1.299 1.00 13.43 H new ATOM 0 HB2 GLU A 129 2.554 2.176 -1.336 1.00 44.52 H new ATOM 0 HB3 GLU A 129 2.306 1.718 -3.009 1.00 44.52 H new ATOM 0 HG2 GLU A 129 2.360 4.126 -3.668 1.00 51.32 H new ATOM 0 HG3 GLU A 129 2.630 4.571 -1.994 1.00 51.32 H new ATOM 2022 N LEU A 130 -0.394 4.345 -3.469 1.00 75.12 N ATOM 2023 CA LEU A 130 -1.122 4.957 -4.596 1.00 54.41 C ATOM 2024 C LEU A 130 -0.248 6.043 -5.232 1.00 35.31 C ATOM 2025 O LEU A 130 0.582 6.663 -4.553 1.00 3.32 O ATOM 2026 CB LEU A 130 -2.485 5.602 -4.151 1.00 62.53 C ATOM 2027 CG LEU A 130 -3.288 4.856 -3.034 1.00 30.33 C ATOM 2028 CD1 LEU A 130 -2.769 5.219 -1.628 1.00 34.55 C ATOM 2029 CD2 LEU A 130 -4.805 5.103 -3.150 1.00 64.14 C ATOM 0 H LEU A 130 -0.083 5.024 -2.774 1.00 75.12 H new ATOM 0 HA LEU A 130 -1.344 4.163 -5.309 1.00 54.41 H new ATOM 0 HB2 LEU A 130 -2.284 6.616 -3.805 1.00 62.53 H new ATOM 0 HB3 LEU A 130 -3.124 5.686 -5.030 1.00 62.53 H new ATOM 0 HG LEU A 130 -3.123 3.789 -3.184 1.00 30.33 H new ATOM 0 HD11 LEU A 130 -3.349 4.683 -0.877 1.00 34.55 H new ATOM 0 HD12 LEU A 130 -1.719 4.938 -1.544 1.00 34.55 H new ATOM 0 HD13 LEU A 130 -2.872 6.292 -1.468 1.00 34.55 H new ATOM 0 HD21 LEU A 130 -5.323 4.566 -2.355 1.00 64.14 H new ATOM 0 HD22 LEU A 130 -5.008 6.170 -3.059 1.00 64.14 H new ATOM 0 HD23 LEU A 130 -5.159 4.747 -4.118 1.00 64.14 H new ATOM 2041 N GLU A 131 -0.463 6.276 -6.530 1.00 0.13 N ATOM 2042 CA GLU A 131 0.123 7.401 -7.269 1.00 72.13 C ATOM 2043 C GLU A 131 -1.000 8.052 -8.098 1.00 5.10 C ATOM 2044 O GLU A 131 -1.296 7.579 -9.207 1.00 45.33 O ATOM 2045 CB GLU A 131 1.301 6.923 -8.170 1.00 53.44 C ATOM 2046 CG GLU A 131 2.586 6.522 -7.398 1.00 23.42 C ATOM 2047 CD GLU A 131 3.686 5.908 -8.286 1.00 33.45 C ATOM 2048 OE1 GLU A 131 3.886 6.392 -9.424 1.00 20.03 O ATOM 2049 OE2 GLU A 131 4.367 4.958 -7.850 1.00 0.34 O ATOM 0 H GLU A 131 -1.057 5.680 -7.106 1.00 0.13 H new ATOM 0 HA GLU A 131 0.542 8.133 -6.579 1.00 72.13 H new ATOM 0 HB2 GLU A 131 0.966 6.069 -8.760 1.00 53.44 H new ATOM 0 HB3 GLU A 131 1.549 7.718 -8.873 1.00 53.44 H new ATOM 0 HG2 GLU A 131 2.987 7.404 -6.898 1.00 23.42 H new ATOM 0 HG3 GLU A 131 2.321 5.807 -6.619 1.00 23.42 H new ATOM 2056 N PRO A 132 -1.713 9.092 -7.536 1.00 25.31 N ATOM 2057 CA PRO A 132 -2.782 9.831 -8.258 1.00 14.35 C ATOM 2058 C PRO A 132 -2.239 10.573 -9.494 1.00 0.23 C ATOM 2059 O PRO A 132 -1.029 10.816 -9.600 1.00 60.32 O ATOM 2060 CB PRO A 132 -3.316 10.826 -7.190 1.00 72.44 C ATOM 2061 CG PRO A 132 -2.186 10.980 -6.224 1.00 41.03 C ATOM 2062 CD PRO A 132 -1.553 9.615 -6.151 1.00 30.44 C ATOM 0 HA PRO A 132 -3.554 9.169 -8.651 1.00 14.35 H new ATOM 0 HB2 PRO A 132 -3.588 11.782 -7.638 1.00 72.44 H new ATOM 0 HB3 PRO A 132 -4.209 10.439 -6.698 1.00 72.44 H new ATOM 0 HG2 PRO A 132 -1.472 11.729 -6.567 1.00 41.03 H new ATOM 0 HG3 PRO A 132 -2.543 11.303 -5.246 1.00 41.03 H new ATOM 0 HD2 PRO A 132 -0.504 9.673 -5.861 1.00 30.44 H new ATOM 0 HD3 PRO A 132 -2.051 8.978 -5.420 1.00 30.44 H new ATOM 2070 N ASP A 133 -3.164 10.959 -10.389 1.00 42.42 N ATOM 2071 CA ASP A 133 -2.844 11.621 -11.668 1.00 50.33 C ATOM 2072 C ASP A 133 -2.132 12.947 -11.404 1.00 21.21 C ATOM 2073 O ASP A 133 -1.075 13.236 -11.967 1.00 11.21 O ATOM 2074 CB ASP A 133 -4.156 11.849 -12.461 1.00 65.32 C ATOM 2075 CG ASP A 133 -3.990 12.725 -13.719 1.00 71.33 C ATOM 2076 OD1 ASP A 133 -3.402 12.250 -14.706 1.00 45.52 O ATOM 2077 OD2 ASP A 133 -4.446 13.889 -13.717 1.00 4.33 O ATOM 0 H ASP A 133 -4.164 10.820 -10.245 1.00 42.42 H new ATOM 0 HA ASP A 133 -2.178 10.990 -12.257 1.00 50.33 H new ATOM 0 HB2 ASP A 133 -4.561 10.881 -12.757 1.00 65.32 H new ATOM 0 HB3 ASP A 133 -4.889 12.314 -11.802 1.00 65.32 H new ATOM 2082 N ARG A 134 -2.740 13.734 -10.528 1.00 70.54 N ATOM 2083 CA ARG A 134 -2.189 14.996 -10.036 1.00 51.41 C ATOM 2084 C ARG A 134 -2.016 14.887 -8.510 1.00 42.24 C ATOM 2085 O ARG A 134 -2.150 13.794 -7.951 1.00 41.01 O ATOM 2086 CB ARG A 134 -3.128 16.161 -10.477 1.00 65.22 C ATOM 2087 CG ARG A 134 -4.653 15.901 -10.304 1.00 42.01 C ATOM 2088 CD ARG A 134 -5.112 15.927 -8.843 1.00 32.21 C ATOM 2089 NE ARG A 134 -6.560 15.738 -8.688 1.00 75.40 N ATOM 2090 CZ ARG A 134 -7.284 16.261 -7.694 1.00 3.10 C ATOM 2091 NH1 ARG A 134 -6.705 17.010 -6.761 1.00 53.34 N ATOM 2092 NH2 ARG A 134 -8.580 16.018 -7.631 1.00 1.24 N ATOM 0 H ARG A 134 -3.651 13.511 -10.128 1.00 70.54 H new ATOM 0 HA ARG A 134 -1.207 15.208 -10.458 1.00 51.41 H new ATOM 0 HB2 ARG A 134 -2.863 17.052 -9.908 1.00 65.22 H new ATOM 0 HB3 ARG A 134 -2.933 16.383 -11.526 1.00 65.22 H new ATOM 0 HG2 ARG A 134 -5.208 16.653 -10.865 1.00 42.01 H new ATOM 0 HG3 ARG A 134 -4.900 14.932 -10.738 1.00 42.01 H new ATOM 0 HD2 ARG A 134 -4.589 15.146 -8.291 1.00 32.21 H new ATOM 0 HD3 ARG A 134 -4.827 16.879 -8.396 1.00 32.21 H new ATOM 0 HE ARG A 134 -7.044 15.171 -9.384 1.00 75.40 H new ATOM 0 HH11 ARG A 134 -5.702 17.189 -6.801 1.00 53.34 H new ATOM 0 HH12 ARG A 134 -7.264 17.406 -6.005 1.00 53.34 H new ATOM 0 HH21 ARG A 134 -9.024 15.433 -8.339 1.00 1.24 H new ATOM 0 HH22 ARG A 134 -9.137 16.415 -6.874 1.00 1.24 H new ATOM 2106 N ASP A 135 -1.718 16.002 -7.824 1.00 54.23 N ATOM 2107 CA ASP A 135 -1.518 15.984 -6.357 1.00 64.43 C ATOM 2108 C ASP A 135 -2.840 16.285 -5.632 1.00 20.32 C ATOM 2109 O ASP A 135 -3.678 17.030 -6.142 1.00 64.21 O ATOM 2110 CB ASP A 135 -0.420 16.987 -5.936 1.00 44.20 C ATOM 2111 CG ASP A 135 0.196 16.624 -4.578 1.00 63.44 C ATOM 2112 OD1 ASP A 135 1.008 15.679 -4.536 1.00 24.21 O ATOM 2113 OD2 ASP A 135 -0.130 17.251 -3.553 1.00 41.14 O ATOM 0 H ASP A 135 -1.610 16.921 -8.252 1.00 54.23 H new ATOM 0 HA ASP A 135 -1.187 14.986 -6.070 1.00 64.43 H new ATOM 0 HB2 ASP A 135 0.362 17.009 -6.695 1.00 44.20 H new ATOM 0 HB3 ASP A 135 -0.844 17.990 -5.886 1.00 44.20 H new ATOM 2118 N LEU A 136 -3.010 15.706 -4.436 1.00 61.21 N ATOM 2119 CA LEU A 136 -4.272 15.771 -3.676 1.00 12.30 C ATOM 2120 C LEU A 136 -4.145 16.726 -2.469 1.00 71.23 C ATOM 2121 O LEU A 136 -3.065 16.860 -1.871 1.00 21.42 O ATOM 2122 CB LEU A 136 -4.671 14.340 -3.215 1.00 20.21 C ATOM 2123 CG LEU A 136 -4.862 13.287 -4.363 1.00 31.45 C ATOM 2124 CD1 LEU A 136 -5.109 11.872 -3.796 1.00 32.21 C ATOM 2125 CD2 LEU A 136 -5.988 13.699 -5.354 1.00 65.35 C ATOM 0 H LEU A 136 -2.276 15.177 -3.964 1.00 61.21 H new ATOM 0 HA LEU A 136 -5.055 16.168 -4.322 1.00 12.30 H new ATOM 0 HB2 LEU A 136 -3.906 13.971 -2.532 1.00 20.21 H new ATOM 0 HB3 LEU A 136 -5.600 14.406 -2.648 1.00 20.21 H new ATOM 0 HG LEU A 136 -3.930 13.263 -4.928 1.00 31.45 H new ATOM 0 HD11 LEU A 136 -5.237 11.168 -4.618 1.00 32.21 H new ATOM 0 HD12 LEU A 136 -4.256 11.569 -3.189 1.00 32.21 H new ATOM 0 HD13 LEU A 136 -6.009 11.879 -3.181 1.00 32.21 H new ATOM 0 HD21 LEU A 136 -6.084 12.941 -6.131 1.00 65.35 H new ATOM 0 HD22 LEU A 136 -6.932 13.789 -4.816 1.00 65.35 H new ATOM 0 HD23 LEU A 136 -5.738 14.657 -5.811 1.00 65.35 H new ATOM 2137 N SER A 137 -5.274 17.381 -2.139 1.00 34.43 N ATOM 2138 CA SER A 137 -5.424 18.264 -0.962 1.00 31.44 C ATOM 2139 C SER A 137 -6.730 17.894 -0.220 1.00 21.02 C ATOM 2140 O SER A 137 -7.496 17.040 -0.693 1.00 4.03 O ATOM 2141 CB SER A 137 -5.403 19.756 -1.390 1.00 22.34 C ATOM 2142 OG SER A 137 -6.443 20.051 -2.298 1.00 34.35 O ATOM 0 H SER A 137 -6.127 17.311 -2.694 1.00 34.43 H new ATOM 0 HA SER A 137 -4.585 18.120 -0.281 1.00 31.44 H new ATOM 0 HB2 SER A 137 -5.499 20.389 -0.508 1.00 22.34 H new ATOM 0 HB3 SER A 137 -4.442 19.990 -1.848 1.00 22.34 H new ATOM 0 HG SER A 137 -6.730 19.228 -2.745 1.00 34.35 H new ATOM 2148 N ASP A 138 -6.967 18.510 0.952 1.00 23.21 N ATOM 2149 CA ASP A 138 -8.116 18.162 1.819 1.00 21.34 C ATOM 2150 C ASP A 138 -9.457 18.485 1.108 1.00 33.11 C ATOM 2151 O ASP A 138 -9.717 19.631 0.722 1.00 74.11 O ATOM 2152 CB ASP A 138 -7.994 18.876 3.200 1.00 15.11 C ATOM 2153 CG ASP A 138 -8.166 20.400 3.132 1.00 71.24 C ATOM 2154 OD1 ASP A 138 -7.245 21.084 2.651 1.00 43.42 O ATOM 2155 OD2 ASP A 138 -9.229 20.917 3.536 1.00 34.12 O ATOM 0 H ASP A 138 -6.378 19.254 1.325 1.00 23.21 H new ATOM 0 HA ASP A 138 -8.104 17.088 2.007 1.00 21.34 H new ATOM 0 HB2 ASP A 138 -8.743 18.466 3.877 1.00 15.11 H new ATOM 0 HB3 ASP A 138 -7.018 18.650 3.630 1.00 15.11 H new ATOM 2160 N GLY A 139 -10.257 17.437 0.862 1.00 74.22 N ATOM 2161 CA GLY A 139 -11.562 17.575 0.202 1.00 44.35 C ATOM 2162 C GLY A 139 -11.581 16.969 -1.199 1.00 71.03 C ATOM 2163 O GLY A 139 -12.640 16.900 -1.828 1.00 55.34 O ATOM 0 H GLY A 139 -10.019 16.477 1.113 1.00 74.22 H new ATOM 0 HA2 GLY A 139 -12.326 17.093 0.812 1.00 44.35 H new ATOM 0 HA3 GLY A 139 -11.823 18.631 0.140 1.00 44.35 H new ATOM 2167 N ASP A 140 -10.396 16.568 -1.710 1.00 11.01 N ATOM 2168 CA ASP A 140 -10.289 15.773 -2.956 1.00 41.40 C ATOM 2169 C ASP A 140 -10.643 14.317 -2.677 1.00 43.24 C ATOM 2170 O ASP A 140 -10.823 13.927 -1.527 1.00 0.21 O ATOM 2171 CB ASP A 140 -8.873 15.865 -3.582 1.00 73.42 C ATOM 2172 CG ASP A 140 -8.609 17.207 -4.262 1.00 3.35 C ATOM 2173 OD1 ASP A 140 -9.339 17.560 -5.205 1.00 61.24 O ATOM 2174 OD2 ASP A 140 -7.655 17.902 -3.891 1.00 74.44 O ATOM 0 H ASP A 140 -9.497 16.782 -1.278 1.00 11.01 H new ATOM 0 HA ASP A 140 -10.994 16.190 -3.675 1.00 41.40 H new ATOM 0 HB2 ASP A 140 -8.126 15.705 -2.804 1.00 73.42 H new ATOM 0 HB3 ASP A 140 -8.751 15.064 -4.311 1.00 73.42 H new ATOM 2179 N GLU A 141 -10.799 13.535 -3.744 1.00 13.31 N ATOM 2180 CA GLU A 141 -11.109 12.100 -3.658 1.00 43.14 C ATOM 2181 C GLU A 141 -9.952 11.240 -4.205 1.00 73.21 C ATOM 2182 O GLU A 141 -9.005 11.765 -4.801 1.00 5.21 O ATOM 2183 CB GLU A 141 -12.429 11.852 -4.431 1.00 31.33 C ATOM 2184 CG GLU A 141 -13.601 12.723 -3.931 1.00 52.41 C ATOM 2185 CD GLU A 141 -14.883 12.556 -4.753 1.00 12.33 C ATOM 2186 OE1 GLU A 141 -14.922 13.034 -5.901 1.00 14.42 O ATOM 2187 OE2 GLU A 141 -15.857 11.969 -4.248 1.00 24.14 O ATOM 0 H GLU A 141 -10.714 13.877 -4.701 1.00 13.31 H new ATOM 0 HA GLU A 141 -11.234 11.805 -2.616 1.00 43.14 H new ATOM 0 HB2 GLU A 141 -12.264 12.050 -5.490 1.00 31.33 H new ATOM 0 HB3 GLU A 141 -12.703 10.801 -4.342 1.00 31.33 H new ATOM 0 HG2 GLU A 141 -13.811 12.473 -2.891 1.00 52.41 H new ATOM 0 HG3 GLU A 141 -13.299 13.770 -3.952 1.00 52.41 H new ATOM 2194 N ILE A 142 -10.044 9.921 -3.974 1.00 23.11 N ATOM 2195 CA ILE A 142 -9.021 8.937 -4.372 1.00 43.41 C ATOM 2196 C ILE A 142 -9.620 7.512 -4.298 1.00 4.51 C ATOM 2197 O ILE A 142 -10.536 7.265 -3.509 1.00 45.40 O ATOM 2198 CB ILE A 142 -7.733 9.052 -3.464 1.00 65.13 C ATOM 2199 CG1 ILE A 142 -6.557 8.151 -3.983 1.00 71.44 C ATOM 2200 CG2 ILE A 142 -8.073 8.741 -1.983 1.00 72.30 C ATOM 2201 CD1 ILE A 142 -6.030 8.482 -5.382 1.00 55.32 C ATOM 0 H ILE A 142 -10.842 9.500 -3.499 1.00 23.11 H new ATOM 0 HA ILE A 142 -8.715 9.144 -5.398 1.00 43.41 H new ATOM 0 HB ILE A 142 -7.386 10.083 -3.524 1.00 65.13 H new ATOM 0 HG12 ILE A 142 -5.730 8.224 -3.277 1.00 71.44 H new ATOM 0 HG13 ILE A 142 -6.890 7.113 -3.977 1.00 71.44 H new ATOM 0 HG21 ILE A 142 -7.171 8.826 -1.377 1.00 72.30 H new ATOM 0 HG22 ILE A 142 -8.819 9.450 -1.624 1.00 72.30 H new ATOM 0 HG23 ILE A 142 -8.468 7.728 -1.905 1.00 72.30 H new ATOM 0 HD11 ILE A 142 -5.221 7.798 -5.637 1.00 55.32 H new ATOM 0 HD12 ILE A 142 -6.836 8.378 -6.108 1.00 55.32 H new ATOM 0 HD13 ILE A 142 -5.658 9.506 -5.398 1.00 55.32 H new ATOM 2213 N THR A 143 -9.108 6.587 -5.130 1.00 31.13 N ATOM 2214 CA THR A 143 -9.587 5.191 -5.181 1.00 4.43 C ATOM 2215 C THR A 143 -8.563 4.242 -4.514 1.00 34.23 C ATOM 2216 O THR A 143 -7.376 4.278 -4.840 1.00 24.15 O ATOM 2217 CB THR A 143 -9.856 4.771 -6.660 1.00 34.02 C ATOM 2218 OG1 THR A 143 -10.668 5.771 -7.289 1.00 25.22 O ATOM 2219 CG2 THR A 143 -10.574 3.417 -6.759 1.00 64.42 C ATOM 0 H THR A 143 -8.352 6.784 -5.785 1.00 31.13 H new ATOM 0 HA THR A 143 -10.523 5.119 -4.627 1.00 4.43 H new ATOM 0 HB THR A 143 -8.891 4.676 -7.158 1.00 34.02 H new ATOM 0 HG1 THR A 143 -10.840 5.515 -8.219 1.00 25.22 H new ATOM 0 HG21 THR A 143 -10.739 3.168 -7.807 1.00 64.42 H new ATOM 0 HG22 THR A 143 -9.960 2.645 -6.295 1.00 64.42 H new ATOM 0 HG23 THR A 143 -11.533 3.475 -6.245 1.00 64.42 H new ATOM 2227 N LEU A 144 -9.055 3.394 -3.587 1.00 20.32 N ATOM 2228 CA LEU A 144 -8.247 2.521 -2.711 1.00 33.44 C ATOM 2229 C LEU A 144 -8.423 1.051 -3.140 1.00 35.03 C ATOM 2230 O LEU A 144 -9.468 0.441 -2.873 1.00 33.35 O ATOM 2231 CB LEU A 144 -8.689 2.698 -1.213 1.00 43.23 C ATOM 2232 CG LEU A 144 -7.998 3.830 -0.382 1.00 42.24 C ATOM 2233 CD1 LEU A 144 -6.517 3.487 -0.088 1.00 11.10 C ATOM 2234 CD2 LEU A 144 -8.137 5.203 -1.074 1.00 21.21 C ATOM 0 H LEU A 144 -10.057 3.295 -3.423 1.00 20.32 H new ATOM 0 HA LEU A 144 -7.197 2.800 -2.802 1.00 33.44 H new ATOM 0 HB2 LEU A 144 -9.764 2.880 -1.199 1.00 43.23 H new ATOM 0 HB3 LEU A 144 -8.519 1.752 -0.699 1.00 43.23 H new ATOM 0 HG LEU A 144 -8.514 3.897 0.576 1.00 42.24 H new ATOM 0 HD11 LEU A 144 -6.065 4.293 0.491 1.00 11.10 H new ATOM 0 HD12 LEU A 144 -6.464 2.558 0.480 1.00 11.10 H new ATOM 0 HD13 LEU A 144 -5.978 3.368 -1.028 1.00 11.10 H new ATOM 0 HD21 LEU A 144 -7.646 5.966 -0.470 1.00 21.21 H new ATOM 0 HD22 LEU A 144 -7.670 5.163 -2.058 1.00 21.21 H new ATOM 0 HD23 LEU A 144 -9.193 5.450 -1.183 1.00 21.21 H new ATOM 2246 N ASP A 145 -7.411 0.508 -3.824 1.00 15.04 N ATOM 2247 CA ASP A 145 -7.351 -0.917 -4.203 1.00 34.21 C ATOM 2248 C ASP A 145 -6.500 -1.707 -3.198 1.00 75.13 C ATOM 2249 O ASP A 145 -5.269 -1.725 -3.290 1.00 64.10 O ATOM 2250 CB ASP A 145 -6.789 -1.055 -5.638 1.00 74.44 C ATOM 2251 CG ASP A 145 -7.802 -0.645 -6.714 1.00 30.53 C ATOM 2252 OD1 ASP A 145 -8.585 -1.510 -7.150 1.00 61.42 O ATOM 2253 OD2 ASP A 145 -7.835 0.537 -7.108 1.00 53.43 O ATOM 0 H ASP A 145 -6.601 1.045 -4.135 1.00 15.04 H new ATOM 0 HA ASP A 145 -8.358 -1.333 -4.184 1.00 34.21 H new ATOM 0 HB2 ASP A 145 -5.895 -0.439 -5.734 1.00 74.44 H new ATOM 0 HB3 ASP A 145 -6.485 -2.088 -5.807 1.00 74.44 H new ATOM 2258 N PHE A 146 -7.176 -2.352 -2.226 1.00 63.24 N ATOM 2259 CA PHE A 146 -6.524 -3.246 -1.224 1.00 4.11 C ATOM 2260 C PHE A 146 -6.163 -4.597 -1.866 1.00 64.12 C ATOM 2261 O PHE A 146 -5.390 -5.383 -1.320 1.00 1.23 O ATOM 2262 CB PHE A 146 -7.460 -3.481 -0.010 1.00 64.54 C ATOM 2263 CG PHE A 146 -8.149 -2.221 0.485 1.00 73.31 C ATOM 2264 CD1 PHE A 146 -7.406 -1.105 0.845 1.00 74.54 C ATOM 2265 CD2 PHE A 146 -9.540 -2.142 0.553 1.00 70.13 C ATOM 2266 CE1 PHE A 146 -8.027 0.045 1.260 1.00 4.04 C ATOM 2267 CE2 PHE A 146 -10.159 -0.987 0.968 1.00 60.02 C ATOM 2268 CZ PHE A 146 -9.402 0.106 1.320 1.00 63.11 C ATOM 0 H PHE A 146 -8.186 -2.274 -2.106 1.00 63.24 H new ATOM 0 HA PHE A 146 -5.612 -2.759 -0.878 1.00 4.11 H new ATOM 0 HB2 PHE A 146 -8.218 -4.215 -0.284 1.00 64.54 H new ATOM 0 HB3 PHE A 146 -6.880 -3.912 0.806 1.00 64.54 H new ATOM 0 HD1 PHE A 146 -6.328 -1.143 0.798 1.00 74.54 H new ATOM 0 HD2 PHE A 146 -10.137 -2.998 0.276 1.00 70.13 H new ATOM 0 HE1 PHE A 146 -7.437 0.905 1.540 1.00 4.04 H new ATOM 0 HE2 PHE A 146 -11.237 -0.938 1.018 1.00 60.02 H new ATOM 0 HZ PHE A 146 -9.887 1.015 1.644 1.00 63.11 H new ATOM 2278 N ASN A 147 -6.777 -4.839 -3.028 1.00 2.01 N ATOM 2279 CA ASN A 147 -6.545 -6.026 -3.860 1.00 71.04 C ATOM 2280 C ASN A 147 -5.207 -5.946 -4.625 1.00 41.23 C ATOM 2281 O ASN A 147 -4.804 -6.916 -5.267 1.00 51.21 O ATOM 2282 CB ASN A 147 -7.715 -6.183 -4.841 1.00 63.02 C ATOM 2283 CG ASN A 147 -7.881 -5.007 -5.815 1.00 52.31 C ATOM 2284 OD1 ASN A 147 -7.337 -5.012 -6.918 1.00 73.15 O ATOM 2285 ND2 ASN A 147 -8.637 -3.999 -5.407 1.00 55.43 N ATOM 0 H ASN A 147 -7.466 -4.201 -3.427 1.00 2.01 H new ATOM 0 HA ASN A 147 -6.484 -6.897 -3.207 1.00 71.04 H new ATOM 0 HB2 ASN A 147 -7.573 -7.099 -5.415 1.00 63.02 H new ATOM 0 HB3 ASN A 147 -8.637 -6.303 -4.273 1.00 63.02 H new ATOM 0 HD21 ASN A 147 -8.783 -3.193 -6.015 1.00 55.43 H new ATOM 0 HD22 ASN A 147 -9.073 -4.029 -4.485 1.00 55.43 H new ATOM 2292 N LEU A 148 -4.555 -4.770 -4.575 1.00 14.22 N ATOM 2293 CA LEU A 148 -3.223 -4.545 -5.160 1.00 14.34 C ATOM 2294 C LEU A 148 -2.172 -4.397 -4.047 1.00 21.20 C ATOM 2295 O LEU A 148 -1.089 -3.867 -4.290 1.00 44.12 O ATOM 2296 CB LEU A 148 -3.258 -3.281 -6.070 1.00 5.12 C ATOM 2297 CG LEU A 148 -4.280 -3.323 -7.251 1.00 51.32 C ATOM 2298 CD1 LEU A 148 -4.186 -2.056 -8.137 1.00 1.11 C ATOM 2299 CD2 LEU A 148 -4.121 -4.623 -8.070 1.00 3.14 C ATOM 0 H LEU A 148 -4.943 -3.942 -4.123 1.00 14.22 H new ATOM 0 HA LEU A 148 -2.945 -5.404 -5.771 1.00 14.34 H new ATOM 0 HB2 LEU A 148 -3.485 -2.415 -5.448 1.00 5.12 H new ATOM 0 HB3 LEU A 148 -2.261 -3.125 -6.482 1.00 5.12 H new ATOM 0 HG LEU A 148 -5.284 -3.327 -6.826 1.00 51.32 H new ATOM 0 HD11 LEU A 148 -4.912 -2.124 -8.947 1.00 1.11 H new ATOM 0 HD12 LEU A 148 -4.397 -1.173 -7.533 1.00 1.11 H new ATOM 0 HD13 LEU A 148 -3.183 -1.978 -8.555 1.00 1.11 H new ATOM 0 HD21 LEU A 148 -4.843 -4.629 -8.886 1.00 3.14 H new ATOM 0 HD22 LEU A 148 -3.112 -4.675 -8.478 1.00 3.14 H new ATOM 0 HD23 LEU A 148 -4.296 -5.484 -7.424 1.00 3.14 H new ATOM 2311 N ALA A 149 -2.501 -4.907 -2.836 1.00 74.11 N ATOM 2312 CA ALA A 149 -1.633 -4.811 -1.647 1.00 21.14 C ATOM 2313 C ALA A 149 -0.302 -5.545 -1.852 1.00 53.24 C ATOM 2314 O ALA A 149 -0.270 -6.669 -2.377 1.00 34.12 O ATOM 2315 CB ALA A 149 -2.350 -5.356 -0.410 1.00 4.00 C ATOM 0 H ALA A 149 -3.378 -5.397 -2.660 1.00 74.11 H new ATOM 0 HA ALA A 149 -1.411 -3.755 -1.493 1.00 21.14 H new ATOM 0 HB1 ALA A 149 -1.693 -5.276 0.456 1.00 4.00 H new ATOM 0 HB2 ALA A 149 -3.257 -4.779 -0.232 1.00 4.00 H new ATOM 0 HB3 ALA A 149 -2.611 -6.402 -0.572 1.00 4.00 H new ATOM 2321 N TYR A 150 0.790 -4.896 -1.418 1.00 44.45 N ATOM 2322 CA TYR A 150 2.153 -5.392 -1.617 1.00 53.45 C ATOM 2323 C TYR A 150 2.508 -6.294 -0.425 1.00 3.45 C ATOM 2324 O TYR A 150 2.162 -5.960 0.723 1.00 50.41 O ATOM 2325 CB TYR A 150 3.185 -4.214 -1.700 1.00 24.25 C ATOM 2326 CG TYR A 150 2.841 -2.991 -2.593 1.00 34.25 C ATOM 2327 CD1 TYR A 150 1.708 -2.935 -3.411 1.00 62.32 C ATOM 2328 CD2 TYR A 150 3.671 -1.866 -2.585 1.00 74.52 C ATOM 2329 CE1 TYR A 150 1.418 -1.821 -4.172 1.00 51.44 C ATOM 2330 CE2 TYR A 150 3.386 -0.754 -3.350 1.00 61.41 C ATOM 2331 CZ TYR A 150 2.259 -0.737 -4.142 1.00 42.52 C ATOM 2332 OH TYR A 150 1.964 0.375 -4.898 1.00 34.12 O ATOM 0 H TYR A 150 0.748 -4.008 -0.917 1.00 44.45 H new ATOM 0 HA TYR A 150 2.199 -5.942 -2.557 1.00 53.45 H new ATOM 0 HB2 TYR A 150 3.353 -3.848 -0.687 1.00 24.25 H new ATOM 0 HB3 TYR A 150 4.131 -4.626 -2.051 1.00 24.25 H new ATOM 0 HD1 TYR A 150 1.043 -3.785 -3.448 1.00 62.32 H new ATOM 0 HD2 TYR A 150 4.556 -1.868 -1.966 1.00 74.52 H new ATOM 0 HE1 TYR A 150 0.532 -1.802 -4.789 1.00 51.44 H new ATOM 0 HE2 TYR A 150 4.045 0.101 -3.328 1.00 61.41 H new ATOM 0 HH TYR A 150 1.141 0.789 -4.564 1.00 34.12 H new ATOM 2342 N SER A 151 3.150 -7.438 -0.690 1.00 60.40 N ATOM 2343 CA SER A 151 3.698 -8.287 0.369 1.00 31.14 C ATOM 2344 C SER A 151 4.909 -7.603 1.046 1.00 43.21 C ATOM 2345 O SER A 151 5.724 -6.965 0.355 1.00 23.35 O ATOM 2346 CB SER A 151 4.090 -9.652 -0.223 1.00 62.03 C ATOM 2347 OG SER A 151 5.009 -9.512 -1.297 1.00 73.24 O ATOM 0 H SER A 151 3.302 -7.796 -1.633 1.00 60.40 H new ATOM 0 HA SER A 151 2.939 -8.441 1.136 1.00 31.14 H new ATOM 0 HB2 SER A 151 4.532 -10.274 0.556 1.00 62.03 H new ATOM 0 HB3 SER A 151 3.196 -10.168 -0.573 1.00 62.03 H new ATOM 0 HG SER A 151 4.768 -10.132 -2.017 1.00 73.24 H new ATOM 2353 N PRO A 152 5.035 -7.698 2.412 1.00 3.31 N ATOM 2354 CA PRO A 152 6.160 -7.104 3.150 1.00 71.31 C ATOM 2355 C PRO A 152 7.463 -7.881 2.944 1.00 12.04 C ATOM 2356 O PRO A 152 7.496 -9.113 3.077 1.00 74.35 O ATOM 2357 CB PRO A 152 5.693 -7.168 4.622 1.00 31.31 C ATOM 2358 CG PRO A 152 4.804 -8.362 4.667 1.00 32.12 C ATOM 2359 CD PRO A 152 4.083 -8.372 3.337 1.00 30.30 C ATOM 0 HA PRO A 152 6.389 -6.093 2.815 1.00 71.31 H new ATOM 0 HB2 PRO A 152 6.537 -7.273 5.304 1.00 31.31 H new ATOM 0 HB3 PRO A 152 5.160 -6.262 4.911 1.00 31.31 H new ATOM 0 HG2 PRO A 152 5.380 -9.276 4.809 1.00 32.12 H new ATOM 0 HG3 PRO A 152 4.099 -8.297 5.496 1.00 32.12 H new ATOM 0 HD2 PRO A 152 3.860 -9.388 3.011 1.00 30.30 H new ATOM 0 HD3 PRO A 152 3.134 -7.839 3.392 1.00 30.30 H new ATOM 2367 N PHE A 153 8.517 -7.138 2.594 1.00 3.34 N ATOM 2368 CA PHE A 153 9.904 -7.628 2.557 1.00 74.42 C ATOM 2369 C PHE A 153 10.280 -8.428 3.830 1.00 12.14 C ATOM 2370 O PHE A 153 11.003 -9.419 3.758 1.00 5.41 O ATOM 2371 CB PHE A 153 10.858 -6.415 2.413 1.00 32.33 C ATOM 2372 CG PHE A 153 10.667 -5.539 1.158 1.00 2.22 C ATOM 2373 CD1 PHE A 153 9.753 -4.481 1.142 1.00 13.41 C ATOM 2374 CD2 PHE A 153 11.416 -5.767 -0.001 1.00 2.02 C ATOM 2375 CE1 PHE A 153 9.596 -3.688 0.015 1.00 65.43 C ATOM 2376 CE2 PHE A 153 11.257 -4.976 -1.125 1.00 71.12 C ATOM 2377 CZ PHE A 153 10.346 -3.936 -1.117 1.00 61.41 C ATOM 0 H PHE A 153 8.431 -6.159 2.322 1.00 3.34 H new ATOM 0 HA PHE A 153 9.999 -8.304 1.707 1.00 74.42 H new ATOM 0 HB2 PHE A 153 10.741 -5.782 3.293 1.00 32.33 H new ATOM 0 HB3 PHE A 153 11.884 -6.784 2.420 1.00 32.33 H new ATOM 0 HD1 PHE A 153 9.160 -4.278 2.021 1.00 13.41 H new ATOM 0 HD2 PHE A 153 12.132 -6.576 -0.019 1.00 2.02 H new ATOM 0 HE1 PHE A 153 8.885 -2.875 0.023 1.00 65.43 H new ATOM 0 HE2 PHE A 153 11.845 -5.171 -2.010 1.00 71.12 H new ATOM 0 HZ PHE A 153 10.221 -3.319 -1.995 1.00 61.41 H new ATOM 2387 N CYS A 154 9.749 -7.961 4.970 1.00 4.01 N ATOM 2388 CA CYS A 154 10.038 -8.478 6.317 1.00 62.14 C ATOM 2389 C CYS A 154 9.630 -9.967 6.484 1.00 3.52 C ATOM 2390 O CYS A 154 10.414 -10.783 6.982 1.00 54.24 O ATOM 2391 CB CYS A 154 9.274 -7.596 7.339 1.00 31.12 C ATOM 2392 SG CYS A 154 9.087 -5.876 6.820 1.00 52.34 S ATOM 0 H CYS A 154 9.084 -7.187 4.980 1.00 4.01 H new ATOM 0 HA CYS A 154 11.114 -8.434 6.485 1.00 62.14 H new ATOM 0 HB2 CYS A 154 8.286 -8.024 7.508 1.00 31.12 H new ATOM 0 HB3 CYS A 154 9.800 -7.623 8.293 1.00 31.12 H new ATOM 0 HG CYS A 154 10.196 -5.233 7.040 1.00 52.34 H new ATOM 2398 N ALA A 155 8.381 -10.291 6.069 1.00 4.41 N ATOM 2399 CA ALA A 155 7.784 -11.648 6.222 1.00 42.03 C ATOM 2400 C ALA A 155 8.591 -12.733 5.487 1.00 13.44 C ATOM 2401 O ALA A 155 8.651 -13.888 5.926 1.00 70.32 O ATOM 2402 CB ALA A 155 6.320 -11.642 5.732 1.00 13.44 C ATOM 0 H ALA A 155 7.756 -9.622 5.619 1.00 4.41 H new ATOM 0 HA ALA A 155 7.812 -11.896 7.283 1.00 42.03 H new ATOM 0 HB1 ALA A 155 5.893 -12.638 5.848 1.00 13.44 H new ATOM 0 HB2 ALA A 155 5.742 -10.929 6.320 1.00 13.44 H new ATOM 0 HB3 ALA A 155 6.289 -11.354 4.681 1.00 13.44 H new ATOM 2408 N TYR A 156 9.209 -12.334 4.374 1.00 73.24 N ATOM 2409 CA TYR A 156 9.988 -13.230 3.507 1.00 54.42 C ATOM 2410 C TYR A 156 11.500 -13.149 3.830 1.00 54.24 C ATOM 2411 O TYR A 156 12.232 -14.119 3.609 1.00 4.33 O ATOM 2412 CB TYR A 156 9.694 -12.882 2.028 1.00 45.01 C ATOM 2413 CG TYR A 156 8.222 -13.121 1.640 1.00 21.33 C ATOM 2414 CD1 TYR A 156 7.781 -14.382 1.216 1.00 20.11 C ATOM 2415 CD2 TYR A 156 7.267 -12.103 1.732 1.00 72.21 C ATOM 2416 CE1 TYR A 156 6.457 -14.609 0.893 1.00 44.20 C ATOM 2417 CE2 TYR A 156 5.943 -12.332 1.415 1.00 54.20 C ATOM 2418 CZ TYR A 156 5.543 -13.584 0.994 1.00 54.24 C ATOM 2419 OH TYR A 156 4.218 -13.809 0.679 1.00 62.03 O ATOM 0 H TYR A 156 9.185 -11.370 4.043 1.00 73.24 H new ATOM 0 HA TYR A 156 9.689 -14.262 3.690 1.00 54.42 H new ATOM 0 HB2 TYR A 156 9.947 -11.837 1.848 1.00 45.01 H new ATOM 0 HB3 TYR A 156 10.337 -13.482 1.384 1.00 45.01 H new ATOM 0 HD1 TYR A 156 8.491 -15.193 1.140 1.00 20.11 H new ATOM 0 HD2 TYR A 156 7.571 -11.119 2.057 1.00 72.21 H new ATOM 0 HE1 TYR A 156 6.140 -15.587 0.562 1.00 44.20 H new ATOM 0 HE2 TYR A 156 5.221 -11.533 1.496 1.00 54.20 H new ATOM 0 HH TYR A 156 3.707 -12.982 0.805 1.00 62.03 H new ATOM 2429 N SER A 157 11.958 -12.005 4.377 1.00 41.42 N ATOM 2430 CA SER A 157 13.372 -11.791 4.775 1.00 73.21 C ATOM 2431 C SER A 157 13.451 -10.846 5.996 1.00 22.30 C ATOM 2432 O SER A 157 13.106 -9.664 5.899 1.00 65.30 O ATOM 2433 CB SER A 157 14.211 -11.228 3.598 1.00 35.12 C ATOM 2434 OG SER A 157 14.378 -12.184 2.561 1.00 3.44 O ATOM 0 H SER A 157 11.360 -11.199 4.557 1.00 41.42 H new ATOM 0 HA SER A 157 13.792 -12.758 5.051 1.00 73.21 H new ATOM 0 HB2 SER A 157 13.723 -10.339 3.197 1.00 35.12 H new ATOM 0 HB3 SER A 157 15.189 -10.917 3.966 1.00 35.12 H new ATOM 0 HG SER A 157 13.541 -12.271 2.058 1.00 3.44 H new ATOM 2440 N ASP A 158 13.954 -11.378 7.135 1.00 2.45 N ATOM 2441 CA ASP A 158 14.058 -10.631 8.418 1.00 1.23 C ATOM 2442 C ASP A 158 15.240 -9.634 8.416 1.00 2.24 C ATOM 2443 O ASP A 158 15.437 -8.898 9.388 1.00 41.33 O ATOM 2444 CB ASP A 158 14.184 -11.618 9.607 1.00 40.21 C ATOM 2445 CG ASP A 158 12.927 -12.484 9.798 1.00 61.42 C ATOM 2446 OD1 ASP A 158 11.988 -12.045 10.491 1.00 13.13 O ATOM 2447 OD2 ASP A 158 12.866 -13.604 9.252 1.00 3.24 O ATOM 0 H ASP A 158 14.300 -12.336 7.194 1.00 2.45 H new ATOM 0 HA ASP A 158 13.143 -10.049 8.532 1.00 1.23 H new ATOM 0 HB2 ASP A 158 15.045 -12.266 9.446 1.00 40.21 H new ATOM 0 HB3 ASP A 158 14.375 -11.056 10.521 1.00 40.21 H new ATOM 2452 N THR A 159 16.018 -9.618 7.316 1.00 73.00 N ATOM 2453 CA THR A 159 17.102 -8.642 7.095 1.00 35.44 C ATOM 2454 C THR A 159 16.531 -7.229 6.819 1.00 2.51 C ATOM 2455 O THR A 159 17.266 -6.234 6.849 1.00 14.03 O ATOM 2456 CB THR A 159 18.046 -9.104 5.929 1.00 72.14 C ATOM 2457 OG1 THR A 159 19.212 -8.266 5.855 1.00 51.32 O ATOM 2458 CG2 THR A 159 17.337 -9.115 4.559 1.00 34.22 C ATOM 0 H THR A 159 15.911 -10.285 6.552 1.00 73.00 H new ATOM 0 HA THR A 159 17.696 -8.590 8.007 1.00 35.44 H new ATOM 0 HB THR A 159 18.340 -10.128 6.161 1.00 72.14 H new ATOM 0 HG1 THR A 159 18.992 -7.370 6.186 1.00 51.32 H new ATOM 0 HG21 THR A 159 18.037 -9.442 3.790 1.00 34.22 H new ATOM 0 HG22 THR A 159 16.489 -9.799 4.593 1.00 34.22 H new ATOM 0 HG23 THR A 159 16.983 -8.111 4.324 1.00 34.22 H new ATOM 2466 N PHE A 160 15.207 -7.162 6.570 1.00 51.22 N ATOM 2467 CA PHE A 160 14.456 -5.903 6.455 1.00 51.15 C ATOM 2468 C PHE A 160 13.756 -5.620 7.798 1.00 24.22 C ATOM 2469 O PHE A 160 13.737 -6.475 8.695 1.00 3.40 O ATOM 2470 CB PHE A 160 13.405 -6.004 5.321 1.00 1.14 C ATOM 2471 CG PHE A 160 13.998 -6.269 3.927 1.00 24.05 C ATOM 2472 CD1 PHE A 160 14.371 -5.220 3.089 1.00 71.01 C ATOM 2473 CD2 PHE A 160 14.169 -7.574 3.452 1.00 31.44 C ATOM 2474 CE1 PHE A 160 14.891 -5.465 1.826 1.00 12.13 C ATOM 2475 CE2 PHE A 160 14.692 -7.813 2.191 1.00 24.23 C ATOM 2476 CZ PHE A 160 15.051 -6.758 1.380 1.00 23.02 C ATOM 0 H PHE A 160 14.627 -7.991 6.442 1.00 51.22 H new ATOM 0 HA PHE A 160 15.141 -5.090 6.215 1.00 51.15 H new ATOM 0 HB2 PHE A 160 12.704 -6.803 5.562 1.00 1.14 H new ATOM 0 HB3 PHE A 160 12.833 -5.077 5.289 1.00 1.14 H new ATOM 0 HD1 PHE A 160 14.254 -4.201 3.428 1.00 71.01 H new ATOM 0 HD2 PHE A 160 13.889 -8.408 4.078 1.00 31.44 H new ATOM 0 HE1 PHE A 160 15.171 -4.638 1.190 1.00 12.13 H new ATOM 0 HE2 PHE A 160 14.818 -8.828 1.843 1.00 24.23 H new ATOM 0 HZ PHE A 160 15.457 -6.945 0.397 1.00 23.02 H new ATOM 2486 N SER A 161 13.159 -4.433 7.917 1.00 15.21 N ATOM 2487 CA SER A 161 12.455 -3.995 9.135 1.00 52.22 C ATOM 2488 C SER A 161 10.947 -3.934 8.855 1.00 72.05 C ATOM 2489 O SER A 161 10.555 -3.607 7.737 1.00 15.12 O ATOM 2490 CB SER A 161 12.990 -2.610 9.572 1.00 5.04 C ATOM 2491 OG SER A 161 14.402 -2.550 9.468 1.00 42.34 O ATOM 0 H SER A 161 13.147 -3.740 7.169 1.00 15.21 H new ATOM 0 HA SER A 161 12.632 -4.704 9.944 1.00 52.22 H new ATOM 0 HB2 SER A 161 12.544 -1.833 8.952 1.00 5.04 H new ATOM 0 HB3 SER A 161 12.690 -2.409 10.600 1.00 5.04 H new ATOM 0 HG SER A 161 14.713 -1.664 9.748 1.00 42.34 H new ATOM 2497 N CYS A 162 10.104 -4.314 9.829 1.00 12.24 N ATOM 2498 CA CYS A 162 8.648 -4.121 9.718 1.00 12.20 C ATOM 2499 C CYS A 162 8.303 -2.665 10.113 1.00 34.00 C ATOM 2500 O CYS A 162 8.548 -2.284 11.269 1.00 0.03 O ATOM 2501 CB CYS A 162 7.912 -5.147 10.617 1.00 31.04 C ATOM 2502 SG CYS A 162 8.413 -5.128 12.356 1.00 44.25 S ATOM 0 H CYS A 162 10.403 -4.755 10.699 1.00 12.24 H new ATOM 0 HA CYS A 162 8.320 -4.288 8.692 1.00 12.20 H new ATOM 0 HB2 CYS A 162 6.840 -4.956 10.560 1.00 31.04 H new ATOM 0 HB3 CYS A 162 8.080 -6.147 10.216 1.00 31.04 H new ATOM 0 HG CYS A 162 8.605 -3.901 12.739 1.00 44.25 H new ATOM 2508 N PRO A 163 7.769 -1.807 9.159 1.00 15.15 N ATOM 2509 CA PRO A 163 7.411 -0.404 9.470 1.00 2.31 C ATOM 2510 C PRO A 163 6.224 -0.375 10.443 1.00 51.13 C ATOM 2511 O PRO A 163 5.170 -0.938 10.124 1.00 21.43 O ATOM 2512 CB PRO A 163 7.028 0.217 8.084 1.00 63.45 C ATOM 2513 CG PRO A 163 7.446 -0.790 7.049 1.00 33.45 C ATOM 2514 CD PRO A 163 7.447 -2.137 7.740 1.00 70.24 C ATOM 0 HA PRO A 163 8.218 0.149 9.950 1.00 2.31 H new ATOM 0 HB2 PRO A 163 5.957 0.414 8.027 1.00 63.45 H new ATOM 0 HB3 PRO A 163 7.536 1.169 7.929 1.00 63.45 H new ATOM 0 HG2 PRO A 163 6.757 -0.787 6.204 1.00 33.45 H new ATOM 0 HG3 PRO A 163 8.435 -0.555 6.655 1.00 33.45 H new ATOM 0 HD2 PRO A 163 6.480 -2.632 7.654 1.00 70.24 H new ATOM 0 HD3 PRO A 163 8.188 -2.809 7.307 1.00 70.24 H new ATOM 2522 N LEU A 164 6.412 0.245 11.628 1.00 62.14 N ATOM 2523 CA LEU A 164 5.356 0.341 12.647 1.00 33.05 C ATOM 2524 C LEU A 164 4.165 1.157 12.090 1.00 73.21 C ATOM 2525 O LEU A 164 4.312 2.363 11.853 1.00 64.21 O ATOM 2526 CB LEU A 164 5.894 0.989 13.955 1.00 44.12 C ATOM 2527 CG LEU A 164 4.852 1.118 15.122 1.00 53.31 C ATOM 2528 CD1 LEU A 164 4.355 -0.269 15.620 1.00 34.31 C ATOM 2529 CD2 LEU A 164 5.404 1.990 16.278 1.00 11.50 C ATOM 0 H LEU A 164 7.291 0.687 11.899 1.00 62.14 H new ATOM 0 HA LEU A 164 5.019 -0.667 12.890 1.00 33.05 H new ATOM 0 HB2 LEU A 164 6.740 0.401 14.310 1.00 44.12 H new ATOM 0 HB3 LEU A 164 6.273 1.983 13.718 1.00 44.12 H new ATOM 0 HG LEU A 164 3.979 1.631 14.719 1.00 53.31 H new ATOM 0 HD11 LEU A 164 3.636 -0.129 16.427 1.00 34.31 H new ATOM 0 HD12 LEU A 164 3.878 -0.801 14.797 1.00 34.31 H new ATOM 0 HD13 LEU A 164 5.202 -0.850 15.985 1.00 34.31 H new ATOM 0 HD21 LEU A 164 4.658 2.059 17.070 1.00 11.50 H new ATOM 0 HD22 LEU A 164 6.313 1.536 16.674 1.00 11.50 H new ATOM 0 HD23 LEU A 164 5.630 2.989 15.904 1.00 11.50 H new ATOM 2541 N PRO A 165 2.978 0.511 11.844 1.00 74.22 N ATOM 2542 CA PRO A 165 1.820 1.205 11.262 1.00 52.01 C ATOM 2543 C PRO A 165 1.072 2.064 12.318 1.00 2.20 C ATOM 2544 O PRO A 165 1.210 1.820 13.527 1.00 42.41 O ATOM 2545 CB PRO A 165 0.963 0.029 10.729 1.00 13.10 C ATOM 2546 CG PRO A 165 1.242 -1.114 11.644 1.00 70.02 C ATOM 2547 CD PRO A 165 2.668 -0.925 12.136 1.00 32.13 C ATOM 0 HA PRO A 165 2.082 1.924 10.486 1.00 52.01 H new ATOM 0 HB2 PRO A 165 -0.097 0.283 10.731 1.00 13.10 H new ATOM 0 HB3 PRO A 165 1.230 -0.217 9.701 1.00 13.10 H new ATOM 0 HG2 PRO A 165 0.541 -1.125 12.478 1.00 70.02 H new ATOM 0 HG3 PRO A 165 1.133 -2.065 11.123 1.00 70.02 H new ATOM 0 HD2 PRO A 165 2.752 -1.141 13.201 1.00 32.13 H new ATOM 0 HD3 PRO A 165 3.358 -1.593 11.620 1.00 32.13 H new ATOM 2555 N PRO A 166 0.322 3.127 11.881 1.00 73.54 N ATOM 2556 CA PRO A 166 -0.597 3.878 12.775 1.00 62.44 C ATOM 2557 C PRO A 166 -1.757 2.976 13.245 1.00 44.21 C ATOM 2558 O PRO A 166 -2.290 2.218 12.458 1.00 53.23 O ATOM 2559 CB PRO A 166 -1.091 5.045 11.875 1.00 75.42 C ATOM 2560 CG PRO A 166 -0.894 4.563 10.473 1.00 0.24 C ATOM 2561 CD PRO A 166 0.341 3.700 10.504 1.00 10.34 C ATOM 0 HA PRO A 166 -0.125 4.233 13.691 1.00 62.44 H new ATOM 0 HB2 PRO A 166 -2.138 5.277 12.069 1.00 75.42 H new ATOM 0 HB3 PRO A 166 -0.523 5.956 12.063 1.00 75.42 H new ATOM 0 HG2 PRO A 166 -1.759 3.995 10.130 1.00 0.24 H new ATOM 0 HG3 PRO A 166 -0.769 5.400 9.786 1.00 0.24 H new ATOM 0 HD2 PRO A 166 0.307 2.920 9.743 1.00 10.34 H new ATOM 0 HD3 PRO A 166 1.244 4.283 10.323 1.00 10.34 H new ATOM 2569 N GLU A 167 -2.144 3.071 14.527 1.00 42.15 N ATOM 2570 CA GLU A 167 -3.159 2.167 15.140 1.00 5.14 C ATOM 2571 C GLU A 167 -4.555 2.326 14.487 1.00 63.33 C ATOM 2572 O GLU A 167 -5.373 1.399 14.507 1.00 24.34 O ATOM 2573 CB GLU A 167 -3.234 2.430 16.666 1.00 41.33 C ATOM 2574 CG GLU A 167 -1.867 2.341 17.372 1.00 1.01 C ATOM 2575 CD GLU A 167 -1.925 2.649 18.875 1.00 65.03 C ATOM 2576 OE1 GLU A 167 -2.213 3.807 19.247 1.00 4.55 O ATOM 2577 OE2 GLU A 167 -1.681 1.738 19.693 1.00 43.14 O ATOM 0 H GLU A 167 -1.772 3.768 15.173 1.00 42.15 H new ATOM 0 HA GLU A 167 -2.845 1.139 14.962 1.00 5.14 H new ATOM 0 HB2 GLU A 167 -3.658 3.420 16.836 1.00 41.33 H new ATOM 0 HB3 GLU A 167 -3.915 1.709 17.118 1.00 41.33 H new ATOM 0 HG2 GLU A 167 -1.460 1.340 17.231 1.00 1.01 H new ATOM 0 HG3 GLU A 167 -1.176 3.036 16.895 1.00 1.01 H new ATOM 2584 N SER A 168 -4.792 3.506 13.897 1.00 11.23 N ATOM 2585 CA SER A 168 -6.064 3.865 13.238 1.00 54.22 C ATOM 2586 C SER A 168 -6.204 3.265 11.812 1.00 54.33 C ATOM 2587 O SER A 168 -7.287 3.336 11.220 1.00 22.31 O ATOM 2588 CB SER A 168 -6.182 5.406 13.178 1.00 43.02 C ATOM 2589 OG SER A 168 -5.984 6.003 14.456 1.00 12.43 O ATOM 0 H SER A 168 -4.097 4.252 13.862 1.00 11.23 H new ATOM 0 HA SER A 168 -6.872 3.438 13.832 1.00 54.22 H new ATOM 0 HB2 SER A 168 -5.447 5.799 12.476 1.00 43.02 H new ATOM 0 HB3 SER A 168 -7.166 5.680 12.797 1.00 43.02 H new ATOM 0 HG SER A 168 -6.064 6.977 14.378 1.00 12.43 H new ATOM 2595 N ASN A 169 -5.124 2.653 11.272 1.00 1.52 N ATOM 2596 CA ASN A 169 -5.115 2.107 9.882 1.00 24.42 C ATOM 2597 C ASN A 169 -5.589 0.633 9.864 1.00 73.30 C ATOM 2598 O ASN A 169 -5.628 -0.014 8.803 1.00 75.53 O ATOM 2599 CB ASN A 169 -3.692 2.253 9.249 1.00 64.44 C ATOM 2600 CG ASN A 169 -2.656 1.161 9.623 1.00 64.42 C ATOM 2601 OD1 ASN A 169 -2.782 0.428 10.593 1.00 65.15 O ATOM 2602 ND2 ASN A 169 -1.585 1.093 8.875 1.00 74.23 N ATOM 0 H ASN A 169 -4.245 2.522 11.773 1.00 1.52 H new ATOM 0 HA ASN A 169 -5.815 2.685 9.279 1.00 24.42 H new ATOM 0 HB2 ASN A 169 -3.800 2.264 8.164 1.00 64.44 H new ATOM 0 HB3 ASN A 169 -3.287 3.222 9.539 1.00 64.44 H new ATOM 0 HD21 ASN A 169 -0.848 0.425 9.100 1.00 74.23 H new ATOM 0 HD22 ASN A 169 -1.487 1.708 8.067 1.00 74.23 H new ATOM 2609 N TRP A 170 -5.922 0.113 11.062 1.00 62.52 N ATOM 2610 CA TRP A 170 -6.349 -1.267 11.244 1.00 10.10 C ATOM 2611 C TRP A 170 -7.737 -1.462 10.629 1.00 14.44 C ATOM 2612 O TRP A 170 -8.721 -0.893 11.109 1.00 11.22 O ATOM 2613 CB TRP A 170 -6.358 -1.664 12.748 1.00 52.44 C ATOM 2614 CG TRP A 170 -4.993 -1.698 13.420 1.00 73.42 C ATOM 2615 CD1 TRP A 170 -3.758 -1.600 12.829 1.00 2.12 C ATOM 2616 CD2 TRP A 170 -4.740 -1.860 14.827 1.00 34.55 C ATOM 2617 NE1 TRP A 170 -2.771 -1.679 13.774 1.00 2.01 N ATOM 2618 CE2 TRP A 170 -3.343 -1.837 15.008 1.00 54.21 C ATOM 2619 CE3 TRP A 170 -5.560 -2.010 15.951 1.00 0.34 C ATOM 2620 CZ2 TRP A 170 -2.750 -1.962 16.263 1.00 2.43 C ATOM 2621 CZ3 TRP A 170 -4.971 -2.140 17.195 1.00 10.33 C ATOM 2622 CH2 TRP A 170 -3.576 -2.114 17.343 1.00 72.21 C ATOM 0 H TRP A 170 -5.898 0.651 11.928 1.00 62.52 H new ATOM 0 HA TRP A 170 -5.636 -1.918 10.737 1.00 10.10 H new ATOM 0 HB2 TRP A 170 -6.993 -0.962 13.288 1.00 52.44 H new ATOM 0 HB3 TRP A 170 -6.817 -2.648 12.844 1.00 52.44 H new ATOM 0 HD1 TRP A 170 -3.589 -1.478 11.769 1.00 2.12 H new ATOM 0 HE1 TRP A 170 -1.769 -1.628 13.589 1.00 2.01 H new ATOM 0 HE3 TRP A 170 -6.635 -2.024 15.848 1.00 0.34 H new ATOM 0 HZ2 TRP A 170 -1.676 -1.940 16.379 1.00 2.43 H new ATOM 0 HZ3 TRP A 170 -5.595 -2.264 18.068 1.00 10.33 H new ATOM 0 HH2 TRP A 170 -3.146 -2.216 18.328 1.00 72.21 H new ATOM 2633 N LEU A 171 -7.791 -2.234 9.541 1.00 31.14 N ATOM 2634 CA LEU A 171 -9.037 -2.633 8.914 1.00 51.31 C ATOM 2635 C LEU A 171 -9.480 -3.905 9.630 1.00 24.54 C ATOM 2636 O LEU A 171 -8.909 -4.969 9.389 1.00 22.41 O ATOM 2637 CB LEU A 171 -8.840 -2.878 7.382 1.00 72.50 C ATOM 2638 CG LEU A 171 -8.175 -1.711 6.577 1.00 53.11 C ATOM 2639 CD1 LEU A 171 -8.075 -2.048 5.069 1.00 63.45 C ATOM 2640 CD2 LEU A 171 -8.911 -0.373 6.812 1.00 72.15 C ATOM 0 H LEU A 171 -6.961 -2.598 9.073 1.00 31.14 H new ATOM 0 HA LEU A 171 -9.794 -1.853 8.999 1.00 51.31 H new ATOM 0 HB2 LEU A 171 -8.232 -3.773 7.253 1.00 72.50 H new ATOM 0 HB3 LEU A 171 -9.814 -3.088 6.940 1.00 72.50 H new ATOM 0 HG LEU A 171 -7.158 -1.593 6.951 1.00 53.11 H new ATOM 0 HD11 LEU A 171 -7.609 -1.216 4.540 1.00 63.45 H new ATOM 0 HD12 LEU A 171 -7.472 -2.946 4.936 1.00 63.45 H new ATOM 0 HD13 LEU A 171 -9.074 -2.219 4.667 1.00 63.45 H new ATOM 0 HD21 LEU A 171 -8.424 0.416 6.239 1.00 72.15 H new ATOM 0 HD22 LEU A 171 -9.948 -0.467 6.491 1.00 72.15 H new ATOM 0 HD23 LEU A 171 -8.881 -0.122 7.872 1.00 72.15 H new ATOM 2652 N GLU A 172 -10.441 -3.790 10.573 1.00 14.33 N ATOM 2653 CA GLU A 172 -10.907 -4.941 11.365 1.00 20.02 C ATOM 2654 C GLU A 172 -11.886 -5.799 10.526 1.00 62.34 C ATOM 2655 O GLU A 172 -13.092 -5.849 10.766 1.00 40.24 O ATOM 2656 CB GLU A 172 -11.509 -4.464 12.717 1.00 35.42 C ATOM 2657 CG GLU A 172 -11.720 -5.594 13.751 1.00 2.43 C ATOM 2658 CD GLU A 172 -12.078 -5.071 15.153 1.00 12.41 C ATOM 2659 OE1 GLU A 172 -11.237 -4.368 15.763 1.00 33.13 O ATOM 2660 OE2 GLU A 172 -13.173 -5.377 15.668 1.00 33.44 O ATOM 0 H GLU A 172 -10.906 -2.911 10.801 1.00 14.33 H new ATOM 0 HA GLU A 172 -10.063 -5.583 11.617 1.00 20.02 H new ATOM 0 HB2 GLU A 172 -10.851 -3.710 13.149 1.00 35.42 H new ATOM 0 HB3 GLU A 172 -12.466 -3.979 12.525 1.00 35.42 H new ATOM 0 HG2 GLU A 172 -12.515 -6.254 13.402 1.00 2.43 H new ATOM 0 HG3 GLU A 172 -10.812 -6.194 13.815 1.00 2.43 H new ATOM 2667 N THR A 173 -11.309 -6.422 9.492 1.00 65.04 N ATOM 2668 CA THR A 173 -11.984 -7.300 8.552 1.00 20.25 C ATOM 2669 C THR A 173 -10.934 -8.121 7.793 1.00 70.41 C ATOM 2670 O THR A 173 -9.787 -7.682 7.636 1.00 34.45 O ATOM 2671 CB THR A 173 -12.852 -6.498 7.526 1.00 12.15 C ATOM 2672 OG1 THR A 173 -13.452 -7.394 6.575 1.00 12.14 O ATOM 2673 CG2 THR A 173 -12.046 -5.424 6.765 1.00 45.45 C ATOM 0 H THR A 173 -10.315 -6.318 9.286 1.00 65.04 H new ATOM 0 HA THR A 173 -12.651 -7.952 9.116 1.00 20.25 H new ATOM 0 HB THR A 173 -13.620 -5.986 8.107 1.00 12.15 H new ATOM 0 HG1 THR A 173 -14.424 -7.396 6.696 1.00 12.14 H new ATOM 0 HG21 THR A 173 -12.702 -4.902 6.069 1.00 45.45 H new ATOM 0 HG22 THR A 173 -11.629 -4.710 7.476 1.00 45.45 H new ATOM 0 HG23 THR A 173 -11.236 -5.900 6.212 1.00 45.45 H new ATOM 2681 N ALA A 174 -11.339 -9.307 7.319 1.00 13.31 N ATOM 2682 CA ALA A 174 -10.471 -10.178 6.523 1.00 5.11 C ATOM 2683 C ALA A 174 -10.450 -9.664 5.071 1.00 54.22 C ATOM 2684 O ALA A 174 -11.354 -9.974 4.285 1.00 1.12 O ATOM 2685 CB ALA A 174 -10.949 -11.645 6.602 1.00 74.31 C ATOM 0 H ALA A 174 -12.273 -9.686 7.477 1.00 13.31 H new ATOM 0 HA ALA A 174 -9.456 -10.154 6.921 1.00 5.11 H new ATOM 0 HB1 ALA A 174 -10.291 -12.275 6.004 1.00 74.31 H new ATOM 0 HB2 ALA A 174 -10.927 -11.979 7.639 1.00 74.31 H new ATOM 0 HB3 ALA A 174 -11.967 -11.717 6.219 1.00 74.31 H new ATOM 2691 N VAL A 175 -9.457 -8.806 4.755 1.00 61.23 N ATOM 2692 CA VAL A 175 -9.216 -8.334 3.383 1.00 24.10 C ATOM 2693 C VAL A 175 -8.541 -9.476 2.609 1.00 64.24 C ATOM 2694 O VAL A 175 -7.311 -9.632 2.619 1.00 43.23 O ATOM 2695 CB VAL A 175 -8.356 -7.002 3.345 1.00 73.35 C ATOM 2696 CG1 VAL A 175 -8.024 -6.566 1.893 1.00 24.42 C ATOM 2697 CG2 VAL A 175 -9.073 -5.865 4.134 1.00 73.13 C ATOM 0 H VAL A 175 -8.806 -8.425 5.442 1.00 61.23 H new ATOM 0 HA VAL A 175 -10.165 -8.074 2.913 1.00 24.10 H new ATOM 0 HB VAL A 175 -7.404 -7.208 3.835 1.00 73.35 H new ATOM 0 HG11 VAL A 175 -7.434 -5.650 1.914 1.00 24.42 H new ATOM 0 HG12 VAL A 175 -7.455 -7.353 1.398 1.00 24.42 H new ATOM 0 HG13 VAL A 175 -8.950 -6.389 1.346 1.00 24.42 H new ATOM 0 HG21 VAL A 175 -8.468 -4.959 4.097 1.00 73.13 H new ATOM 0 HG22 VAL A 175 -10.047 -5.670 3.686 1.00 73.13 H new ATOM 0 HG23 VAL A 175 -9.206 -6.170 5.172 1.00 73.13 H new ATOM 2707 N THR A 176 -9.389 -10.308 1.989 1.00 65.32 N ATOM 2708 CA THR A 176 -8.970 -11.535 1.308 1.00 2.43 C ATOM 2709 C THR A 176 -9.248 -11.358 -0.195 1.00 33.32 C ATOM 2710 O THR A 176 -10.404 -11.374 -0.628 1.00 73.23 O ATOM 2711 CB THR A 176 -9.730 -12.797 1.895 1.00 61.02 C ATOM 2712 OG1 THR A 176 -10.305 -12.488 3.181 1.00 54.13 O ATOM 2713 CG2 THR A 176 -8.785 -13.997 2.091 1.00 32.20 C ATOM 0 H THR A 176 -10.395 -10.144 1.947 1.00 65.32 H new ATOM 0 HA THR A 176 -7.906 -11.712 1.467 1.00 2.43 H new ATOM 0 HB THR A 176 -10.504 -13.054 1.172 1.00 61.02 H new ATOM 0 HG1 THR A 176 -10.772 -13.276 3.529 1.00 54.13 H new ATOM 0 HG21 THR A 176 -9.346 -14.840 2.495 1.00 32.20 H new ATOM 0 HG22 THR A 176 -8.349 -14.277 1.132 1.00 32.20 H new ATOM 0 HG23 THR A 176 -7.990 -13.725 2.785 1.00 32.20 H new ATOM 2721 N ALA A 177 -8.175 -11.184 -0.975 1.00 44.12 N ATOM 2722 CA ALA A 177 -8.255 -10.774 -2.384 1.00 75.24 C ATOM 2723 C ALA A 177 -7.229 -11.550 -3.211 1.00 32.04 C ATOM 2724 O ALA A 177 -6.112 -11.797 -2.732 1.00 22.51 O ATOM 2725 CB ALA A 177 -8.015 -9.259 -2.501 1.00 20.13 C ATOM 0 H ALA A 177 -7.220 -11.324 -0.645 1.00 44.12 H new ATOM 0 HA ALA A 177 -9.250 -10.998 -2.770 1.00 75.24 H new ATOM 0 HB1 ALA A 177 -8.075 -8.961 -3.548 1.00 20.13 H new ATOM 0 HB2 ALA A 177 -8.773 -8.725 -1.927 1.00 20.13 H new ATOM 0 HB3 ALA A 177 -7.027 -9.016 -2.111 1.00 20.13 H new ATOM 2731 N GLY A 178 -7.604 -11.898 -4.460 1.00 72.12 N ATOM 2732 CA GLY A 178 -6.739 -12.686 -5.337 1.00 21.14 C ATOM 2733 C GLY A 178 -6.391 -14.057 -4.785 1.00 3.23 C ATOM 2734 O GLY A 178 -7.224 -14.694 -4.129 1.00 63.44 O ATOM 0 H GLY A 178 -8.500 -11.642 -4.875 1.00 72.12 H new ATOM 0 HA2 GLY A 178 -7.230 -12.807 -6.302 1.00 21.14 H new ATOM 0 HA3 GLY A 178 -5.817 -12.132 -5.516 1.00 21.14 H new ATOM 2738 N GLU A 179 -5.169 -14.525 -5.090 1.00 50.13 N ATOM 2739 CA GLU A 179 -4.643 -15.788 -4.555 1.00 23.50 C ATOM 2740 C GLU A 179 -4.517 -15.716 -3.026 1.00 1.02 C ATOM 2741 O GLU A 179 -4.179 -14.659 -2.472 1.00 2.15 O ATOM 2742 CB GLU A 179 -3.264 -16.111 -5.198 1.00 1.54 C ATOM 2743 CG GLU A 179 -2.659 -17.479 -4.796 1.00 44.32 C ATOM 2744 CD GLU A 179 -3.600 -18.664 -5.087 1.00 41.13 C ATOM 2745 OE1 GLU A 179 -3.823 -18.976 -6.275 1.00 13.55 O ATOM 2746 OE2 GLU A 179 -4.140 -19.273 -4.134 1.00 30.24 O ATOM 0 H GLU A 179 -4.522 -14.040 -5.712 1.00 50.13 H new ATOM 0 HA GLU A 179 -5.341 -16.587 -4.804 1.00 23.50 H new ATOM 0 HB2 GLU A 179 -3.370 -16.082 -6.282 1.00 1.54 H new ATOM 0 HB3 GLU A 179 -2.560 -15.325 -4.925 1.00 1.54 H new ATOM 0 HG2 GLU A 179 -1.722 -17.627 -5.332 1.00 44.32 H new ATOM 0 HG3 GLU A 179 -2.419 -17.465 -3.733 1.00 44.32 H new ATOM 2753 N ARG A 180 -4.774 -16.853 -2.361 1.00 12.23 N ATOM 2754 CA ARG A 180 -4.648 -16.959 -0.907 1.00 73.33 C ATOM 2755 C ARG A 180 -3.180 -17.178 -0.532 1.00 71.34 C ATOM 2756 O ARG A 180 -2.355 -17.570 -1.366 1.00 61.10 O ATOM 2757 CB ARG A 180 -5.564 -18.086 -0.364 1.00 3.54 C ATOM 2758 CG ARG A 180 -7.069 -17.747 -0.472 1.00 35.12 C ATOM 2759 CD ARG A 180 -7.988 -18.838 0.097 1.00 44.53 C ATOM 2760 NE ARG A 180 -9.413 -18.445 0.004 1.00 25.34 N ATOM 2761 CZ ARG A 180 -10.211 -18.630 -1.068 1.00 4.33 C ATOM 2762 NH1 ARG A 180 -9.749 -19.190 -2.181 1.00 2.14 N ATOM 2763 NH2 ARG A 180 -11.468 -18.221 -1.021 1.00 43.43 N ATOM 0 H ARG A 180 -5.072 -17.716 -2.816 1.00 12.23 H new ATOM 0 HA ARG A 180 -4.977 -16.029 -0.442 1.00 73.33 H new ATOM 0 HB2 ARG A 180 -5.364 -19.006 -0.914 1.00 3.54 H new ATOM 0 HB3 ARG A 180 -5.315 -18.278 0.680 1.00 3.54 H new ATOM 0 HG2 ARG A 180 -7.261 -16.812 0.054 1.00 35.12 H new ATOM 0 HG3 ARG A 180 -7.321 -17.581 -1.519 1.00 35.12 H new ATOM 0 HD2 ARG A 180 -7.829 -19.770 -0.446 1.00 44.53 H new ATOM 0 HD3 ARG A 180 -7.728 -19.028 1.138 1.00 44.53 H new ATOM 0 HE ARG A 180 -9.827 -17.996 0.821 1.00 25.34 H new ATOM 0 HH11 ARG A 180 -8.775 -19.489 -2.235 1.00 2.14 H new ATOM 0 HH12 ARG A 180 -10.368 -19.321 -2.981 1.00 2.14 H new ATOM 0 HH21 ARG A 180 -11.826 -17.770 -0.179 1.00 43.43 H new ATOM 0 HH22 ARG A 180 -12.079 -18.357 -1.827 1.00 43.43 H new