USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 926 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 109 MET CE :methyl 170:sc= -0.0113 (180deg=-0.034) USER MOD Set 1.2: A 113 MET CE :methyl 174:sc= -0.473 (180deg=-0.548) USER MOD Set 2.1: A 56 THR OG1 : rot -163:sc= -0.332 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.945 K(o=-1.3,f=-4.2) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -158:sc= 0.0103 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= -0.0188 (180deg=-0.0568) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.57) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -4.74 X(o=-4.7,f=-4.4) USER MOD Single : A 45 SER OG : rot 160:sc= -0.576 USER MOD Single : A 46 THR OG1 : rot 55:sc= 0.937 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc=-0.00191 (180deg=-0.0802) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 137:sc= -0.413 USER MOD Single : A 78 LYS NZ :NH3+ -106:sc= -0.0066 (180deg=-0.607) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ -128:sc=-0.00572 (180deg=-1.22) USER MOD Single : A 97 ASN : amide:sc= -0.0175 K(o=-0.017,f=-0.61) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -122:sc= -3.52! USER MOD Single : A 101 SER OG : rot 180:sc= -0.448 USER MOD Single : A 102 THR OG1 : rot -55:sc= 0.18 USER MOD Single : A 108 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 110 TYR OH : rot 56:sc= -0.775 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 9.249 5.498 -0.898 1.00 13.00 N ATOM 2 CA GLY A 2 8.931 4.482 -1.883 1.00 45.03 C ATOM 3 C GLY A 2 7.744 3.631 -1.476 1.00 44.35 C ATOM 4 O GLY A 2 7.859 2.412 -1.354 1.00 10.15 O ATOM 0 HA2 GLY A 2 8.720 4.961 -2.839 1.00 45.03 H new ATOM 0 HA3 GLY A 2 9.800 3.841 -2.032 1.00 45.03 H new ATOM 8 N ASN A 3 6.601 4.275 -1.266 1.00 3.44 N ATOM 9 CA ASN A 3 5.388 3.569 -0.868 1.00 12.14 C ATOM 10 C ASN A 3 5.004 2.520 -1.906 1.00 4.02 C ATOM 11 O ASN A 3 4.808 1.349 -1.578 1.00 72.21 O ATOM 12 CB ASN A 3 4.237 4.559 -0.676 1.00 3.42 C ATOM 13 CG ASN A 3 3.245 4.095 0.372 1.00 72.54 C ATOM 14 OD1 ASN A 3 3.260 4.565 1.509 1.00 23.22 O ATOM 15 ND2 ASN A 3 2.373 3.167 -0.009 1.00 0.54 N ATOM 0 H ASN A 3 6.489 5.284 -1.365 1.00 3.44 H new ATOM 0 HA ASN A 3 5.585 3.063 0.077 1.00 12.14 H new ATOM 0 HB2 ASN A 3 4.640 5.529 -0.386 1.00 3.42 H new ATOM 0 HB3 ASN A 3 3.720 4.699 -1.625 1.00 3.42 H new ATOM 0 HD21 ASN A 3 1.680 2.816 0.652 1.00 0.54 H new ATOM 0 HD22 ASN A 3 2.397 2.805 -0.962 1.00 0.54 H new ATOM 22 N LEU A 4 4.899 2.947 -3.159 1.00 60.02 N ATOM 23 CA LEU A 4 4.539 2.044 -4.247 1.00 52.12 C ATOM 24 C LEU A 4 5.437 0.811 -4.253 1.00 34.24 C ATOM 25 O LEU A 4 6.636 0.902 -3.987 1.00 31.41 O ATOM 26 CB LEU A 4 4.640 2.768 -5.592 1.00 21.04 C ATOM 27 CG LEU A 4 6.036 3.242 -5.994 1.00 55.25 C ATOM 28 CD1 LEU A 4 6.244 3.077 -7.492 1.00 13.53 C ATOM 29 CD2 LEU A 4 6.247 4.693 -5.582 1.00 44.04 C ATOM 0 H LEU A 4 5.058 3.912 -3.447 1.00 60.02 H new ATOM 0 HA LEU A 4 3.510 1.720 -4.091 1.00 52.12 H new ATOM 0 HB2 LEU A 4 4.266 2.102 -6.370 1.00 21.04 H new ATOM 0 HB3 LEU A 4 3.977 3.633 -5.567 1.00 21.04 H new ATOM 0 HG LEU A 4 6.771 2.627 -5.475 1.00 55.25 H new ATOM 0 HD11 LEU A 4 7.243 3.420 -7.760 1.00 13.53 H new ATOM 0 HD12 LEU A 4 6.136 2.026 -7.761 1.00 13.53 H new ATOM 0 HD13 LEU A 4 5.502 3.667 -8.030 1.00 13.53 H new ATOM 0 HD21 LEU A 4 7.246 5.013 -5.876 1.00 44.04 H new ATOM 0 HD22 LEU A 4 5.505 5.322 -6.073 1.00 44.04 H new ATOM 0 HD23 LEU A 4 6.141 4.783 -4.501 1.00 44.04 H new ATOM 41 N LYS A 5 4.850 -0.341 -4.557 1.00 54.01 N ATOM 42 CA LYS A 5 5.596 -1.593 -4.601 1.00 13.04 C ATOM 43 C LYS A 5 6.245 -1.793 -5.967 1.00 74.44 C ATOM 44 O LYS A 5 5.598 -1.628 -7.001 1.00 74.15 O ATOM 45 CB LYS A 5 4.673 -2.771 -4.285 1.00 24.35 C ATOM 46 CG LYS A 5 4.790 -3.268 -2.853 1.00 72.35 C ATOM 47 CD LYS A 5 5.557 -4.578 -2.778 1.00 71.15 C ATOM 48 CE LYS A 5 5.594 -5.121 -1.358 1.00 11.53 C ATOM 49 NZ LYS A 5 6.770 -4.610 -0.600 1.00 13.00 N ATOM 0 H LYS A 5 3.858 -0.434 -4.777 1.00 54.01 H new ATOM 0 HA LYS A 5 6.383 -1.544 -3.849 1.00 13.04 H new ATOM 0 HB2 LYS A 5 3.641 -2.475 -4.475 1.00 24.35 H new ATOM 0 HB3 LYS A 5 4.899 -3.592 -4.965 1.00 24.35 H new ATOM 0 HG2 LYS A 5 5.293 -2.516 -2.246 1.00 72.35 H new ATOM 0 HG3 LYS A 5 3.794 -3.404 -2.432 1.00 72.35 H new ATOM 0 HD2 LYS A 5 5.092 -5.311 -3.437 1.00 71.15 H new ATOM 0 HD3 LYS A 5 6.575 -4.426 -3.137 1.00 71.15 H new ATOM 0 HE2 LYS A 5 4.677 -4.842 -0.838 1.00 11.53 H new ATOM 0 HE3 LYS A 5 5.625 -6.210 -1.386 1.00 11.53 H new ATOM 0 HZ1 LYS A 5 6.760 -5.003 0.363 1.00 13.00 H new ATOM 0 HZ2 LYS A 5 7.645 -4.898 -1.082 1.00 13.00 H new ATOM 0 HZ3 LYS A 5 6.727 -3.572 -0.551 1.00 13.00 H new ATOM 63 N SER A 6 7.524 -2.150 -5.964 1.00 24.34 N ATOM 64 CA SER A 6 8.259 -2.372 -7.202 1.00 54.40 C ATOM 65 C SER A 6 7.544 -3.389 -8.086 1.00 33.12 C ATOM 66 O SER A 6 7.680 -3.370 -9.309 1.00 35.44 O ATOM 67 CB SER A 6 9.680 -2.852 -6.899 1.00 21.33 C ATOM 68 OG SER A 6 10.352 -3.239 -8.085 1.00 14.32 O ATOM 0 H SER A 6 8.074 -2.292 -5.117 1.00 24.34 H new ATOM 0 HA SER A 6 8.310 -1.424 -7.738 1.00 54.40 H new ATOM 0 HB2 SER A 6 10.238 -2.057 -6.404 1.00 21.33 H new ATOM 0 HB3 SER A 6 9.643 -3.694 -6.207 1.00 21.33 H new ATOM 0 HG SER A 6 11.258 -3.540 -7.864 1.00 14.32 H new ATOM 74 N ARG A 7 6.782 -4.277 -7.455 1.00 62.55 N ATOM 75 CA ARG A 7 6.045 -5.304 -8.182 1.00 12.31 C ATOM 76 C ARG A 7 4.773 -4.728 -8.797 1.00 51.53 C ATOM 77 O ARG A 7 4.653 -4.625 -10.019 1.00 31.03 O ATOM 78 CB ARG A 7 5.693 -6.465 -7.251 1.00 3.43 C ATOM 79 CG ARG A 7 6.908 -7.195 -6.701 1.00 50.00 C ATOM 80 CD ARG A 7 7.517 -8.122 -7.741 1.00 4.41 C ATOM 81 NE ARG A 7 8.752 -8.741 -7.265 1.00 40.34 N ATOM 82 CZ ARG A 7 9.931 -8.127 -7.270 1.00 20.54 C ATOM 83 NH1 ARG A 7 10.033 -6.885 -7.721 1.00 51.11 N ATOM 84 NH2 ARG A 7 11.010 -8.755 -6.820 1.00 62.42 N ATOM 0 H ARG A 7 6.659 -4.306 -6.443 1.00 62.55 H new ATOM 0 HA ARG A 7 6.682 -5.672 -8.986 1.00 12.31 H new ATOM 0 HB2 ARG A 7 5.100 -6.085 -6.419 1.00 3.43 H new ATOM 0 HB3 ARG A 7 5.066 -7.175 -7.791 1.00 3.43 H new ATOM 0 HG2 ARG A 7 7.654 -6.470 -6.377 1.00 50.00 H new ATOM 0 HG3 ARG A 7 6.621 -7.771 -5.822 1.00 50.00 H new ATOM 0 HD2 ARG A 7 6.798 -8.899 -7.999 1.00 4.41 H new ATOM 0 HD3 ARG A 7 7.721 -7.560 -8.653 1.00 4.41 H new ATOM 0 HE ARG A 7 8.707 -9.696 -6.910 1.00 40.34 H new ATOM 0 HH11 ARG A 7 9.206 -6.398 -8.065 1.00 51.11 H new ATOM 0 HH12 ARG A 7 10.939 -6.416 -7.724 1.00 51.11 H new ATOM 0 HH21 ARG A 7 10.935 -9.710 -6.470 1.00 62.42 H new ATOM 0 HH22 ARG A 7 11.914 -8.283 -6.824 1.00 62.42 H new ATOM 98 N ASP A 8 3.826 -4.354 -7.944 1.00 10.14 N ATOM 99 CA ASP A 8 2.563 -3.787 -8.402 1.00 64.42 C ATOM 100 C ASP A 8 2.804 -2.627 -9.363 1.00 45.45 C ATOM 101 O ASP A 8 2.034 -2.414 -10.299 1.00 34.31 O ATOM 102 CB ASP A 8 1.729 -3.314 -7.211 1.00 12.13 C ATOM 103 CG ASP A 8 1.700 -4.328 -6.085 1.00 22.24 C ATOM 104 OD1 ASP A 8 1.886 -5.532 -6.364 1.00 70.33 O ATOM 105 OD2 ASP A 8 1.493 -3.920 -4.924 1.00 14.44 O ATOM 0 H ASP A 8 3.909 -4.433 -6.930 1.00 10.14 H new ATOM 0 HA ASP A 8 2.015 -4.566 -8.932 1.00 64.42 H new ATOM 0 HB2 ASP A 8 2.134 -2.373 -6.838 1.00 12.13 H new ATOM 0 HB3 ASP A 8 0.710 -3.113 -7.542 1.00 12.13 H new ATOM 110 N TRP A 9 3.877 -1.883 -9.125 1.00 14.42 N ATOM 111 CA TRP A 9 4.220 -0.743 -9.969 1.00 24.42 C ATOM 112 C TRP A 9 4.736 -1.208 -11.326 1.00 74.02 C ATOM 113 O TRP A 9 4.122 -0.939 -12.359 1.00 44.23 O ATOM 114 CB TRP A 9 5.271 0.130 -9.281 1.00 64.04 C ATOM 115 CG TRP A 9 5.691 1.311 -10.101 1.00 70.31 C ATOM 116 CD1 TRP A 9 6.968 1.686 -10.405 1.00 41.45 C ATOM 117 CD2 TRP A 9 4.830 2.274 -10.721 1.00 33.22 C ATOM 118 NE1 TRP A 9 6.954 2.823 -11.177 1.00 12.31 N ATOM 119 CE2 TRP A 9 5.654 3.203 -11.385 1.00 1.31 C ATOM 120 CE3 TRP A 9 3.444 2.440 -10.780 1.00 50.24 C ATOM 121 CZ2 TRP A 9 5.137 4.281 -12.097 1.00 54.21 C ATOM 122 CZ3 TRP A 9 2.931 3.511 -11.487 1.00 4.32 C ATOM 123 CH2 TRP A 9 3.776 4.420 -12.139 1.00 24.23 C ATOM 0 H TRP A 9 4.525 -2.048 -8.355 1.00 14.42 H new ATOM 0 HA TRP A 9 3.317 -0.154 -10.127 1.00 24.42 H new ATOM 0 HB2 TRP A 9 4.874 0.481 -8.328 1.00 64.04 H new ATOM 0 HB3 TRP A 9 6.148 -0.478 -9.057 1.00 64.04 H new ATOM 0 HD1 TRP A 9 7.859 1.165 -10.086 1.00 41.45 H new ATOM 0 HE1 TRP A 9 7.778 3.306 -11.537 1.00 12.31 H new ATOM 0 HE3 TRP A 9 2.785 1.744 -10.282 1.00 50.24 H new ATOM 0 HZ2 TRP A 9 5.787 4.983 -12.599 1.00 54.21 H new ATOM 0 HZ3 TRP A 9 1.861 3.650 -11.538 1.00 4.32 H new ATOM 0 HH2 TRP A 9 3.345 5.246 -12.685 1.00 24.23 H new ATOM 134 N LYS A 10 5.867 -1.905 -11.318 1.00 74.12 N ATOM 135 CA LYS A 10 6.465 -2.408 -12.548 1.00 72.23 C ATOM 136 C LYS A 10 5.445 -3.190 -13.370 1.00 31.03 C ATOM 137 O LYS A 10 5.412 -3.087 -14.595 1.00 64.24 O ATOM 138 CB LYS A 10 7.668 -3.298 -12.228 1.00 72.22 C ATOM 139 CG LYS A 10 8.323 -3.901 -13.459 1.00 44.11 C ATOM 140 CD LYS A 10 9.464 -4.831 -13.083 1.00 45.13 C ATOM 141 CE LYS A 10 10.799 -4.310 -13.593 1.00 34.52 C ATOM 142 NZ LYS A 10 10.957 -4.528 -15.057 1.00 54.53 N ATOM 0 H LYS A 10 6.388 -2.134 -10.472 1.00 74.12 H new ATOM 0 HA LYS A 10 6.799 -1.553 -13.135 1.00 72.23 H new ATOM 0 HB2 LYS A 10 8.408 -2.712 -11.683 1.00 72.22 H new ATOM 0 HB3 LYS A 10 7.348 -4.103 -11.566 1.00 72.22 H new ATOM 0 HG2 LYS A 10 7.579 -4.451 -14.036 1.00 44.11 H new ATOM 0 HG3 LYS A 10 8.698 -3.104 -14.100 1.00 44.11 H new ATOM 0 HD2 LYS A 10 9.505 -4.939 -11.999 1.00 45.13 H new ATOM 0 HD3 LYS A 10 9.278 -5.823 -13.496 1.00 45.13 H new ATOM 0 HE2 LYS A 10 10.881 -3.245 -13.374 1.00 34.52 H new ATOM 0 HE3 LYS A 10 11.610 -4.808 -13.062 1.00 34.52 H new ATOM 0 HZ1 LYS A 10 11.879 -4.159 -15.365 1.00 54.53 H new ATOM 0 HZ2 LYS A 10 10.904 -5.546 -15.264 1.00 54.53 H new ATOM 0 HZ3 LYS A 10 10.198 -4.031 -15.566 1.00 54.53 H new ATOM 156 N MET A 11 4.613 -3.969 -12.686 1.00 2.24 N ATOM 157 CA MET A 11 3.590 -4.766 -13.352 1.00 52.10 C ATOM 158 C MET A 11 2.474 -3.877 -13.891 1.00 32.41 C ATOM 159 O MET A 11 1.896 -4.157 -14.941 1.00 34.14 O ATOM 160 CB MET A 11 3.012 -5.803 -12.388 1.00 13.31 C ATOM 161 CG MET A 11 3.853 -7.064 -12.277 1.00 23.14 C ATOM 162 SD MET A 11 3.405 -8.309 -13.502 1.00 23.30 S ATOM 163 CE MET A 11 2.516 -9.483 -12.482 1.00 12.14 C ATOM 0 H MET A 11 4.628 -4.065 -11.671 1.00 2.24 H new ATOM 0 HA MET A 11 4.056 -5.282 -14.191 1.00 52.10 H new ATOM 0 HB2 MET A 11 2.914 -5.353 -11.400 1.00 13.31 H new ATOM 0 HB3 MET A 11 2.008 -6.073 -12.717 1.00 13.31 H new ATOM 0 HG2 MET A 11 4.905 -6.806 -12.396 1.00 23.14 H new ATOM 0 HG3 MET A 11 3.739 -7.485 -11.278 1.00 23.14 H new ATOM 0 HE1 MET A 11 2.174 -10.314 -13.098 1.00 12.14 H new ATOM 0 HE2 MET A 11 3.176 -9.859 -11.700 1.00 12.14 H new ATOM 0 HE3 MET A 11 1.657 -8.991 -12.026 1.00 12.14 H new ATOM 173 N ALA A 12 2.174 -2.805 -13.163 1.00 54.31 N ATOM 174 CA ALA A 12 1.128 -1.874 -13.569 1.00 44.34 C ATOM 175 C ALA A 12 1.512 -1.141 -14.850 1.00 3.10 C ATOM 176 O ALA A 12 0.801 -1.211 -15.853 1.00 2.42 O ATOM 177 CB ALA A 12 0.845 -0.879 -12.454 1.00 2.33 C ATOM 0 H ALA A 12 2.641 -2.560 -12.290 1.00 54.31 H new ATOM 0 HA ALA A 12 0.223 -2.448 -13.767 1.00 44.34 H new ATOM 0 HB1 ALA A 12 0.062 -0.190 -12.771 1.00 2.33 H new ATOM 0 HB2 ALA A 12 0.518 -1.415 -11.563 1.00 2.33 H new ATOM 0 HB3 ALA A 12 1.752 -0.318 -12.228 1.00 2.33 H new ATOM 183 N ILE A 13 2.638 -0.438 -14.809 1.00 1.24 N ATOM 184 CA ILE A 13 3.116 0.308 -15.967 1.00 22.32 C ATOM 185 C ILE A 13 3.414 -0.624 -17.136 1.00 23.31 C ATOM 186 O ILE A 13 3.274 -0.245 -18.299 1.00 31.35 O ATOM 187 CB ILE A 13 4.383 1.116 -15.633 1.00 4.43 C ATOM 188 CG1 ILE A 13 4.077 2.171 -14.568 1.00 42.14 C ATOM 189 CG2 ILE A 13 4.942 1.768 -16.888 1.00 14.20 C ATOM 190 CD1 ILE A 13 3.179 3.284 -15.061 1.00 41.30 C ATOM 0 H ILE A 13 3.237 -0.369 -13.986 1.00 1.24 H new ATOM 0 HA ILE A 13 2.320 0.997 -16.249 1.00 22.32 H new ATOM 0 HB ILE A 13 5.135 0.435 -15.236 1.00 4.43 H new ATOM 0 HG12 ILE A 13 3.606 1.686 -13.713 1.00 42.14 H new ATOM 0 HG13 ILE A 13 5.014 2.601 -14.214 1.00 42.14 H new ATOM 0 HG21 ILE A 13 5.838 2.336 -16.635 1.00 14.20 H new ATOM 0 HG22 ILE A 13 5.194 0.998 -17.617 1.00 14.20 H new ATOM 0 HG23 ILE A 13 4.195 2.439 -17.313 1.00 14.20 H new ATOM 0 HD11 ILE A 13 3.004 3.995 -14.254 1.00 41.30 H new ATOM 0 HD12 ILE A 13 3.657 3.794 -15.897 1.00 41.30 H new ATOM 0 HD13 ILE A 13 2.227 2.866 -15.388 1.00 41.30 H new ATOM 202 N LYS A 14 3.825 -1.848 -16.820 1.00 52.01 N ATOM 203 CA LYS A 14 4.140 -2.838 -17.843 1.00 40.33 C ATOM 204 C LYS A 14 2.914 -3.152 -18.693 1.00 75.05 C ATOM 205 O LYS A 14 2.957 -3.057 -19.920 1.00 73.55 O ATOM 206 CB LYS A 14 4.667 -4.121 -17.196 1.00 30.41 C ATOM 207 CG LYS A 14 4.854 -5.265 -18.177 1.00 73.23 C ATOM 208 CD LYS A 14 5.898 -4.932 -19.230 1.00 32.11 C ATOM 209 CE LYS A 14 6.953 -6.023 -19.334 1.00 60.42 C ATOM 210 NZ LYS A 14 6.384 -7.295 -19.858 1.00 41.11 N ATOM 0 H LYS A 14 3.948 -2.178 -15.863 1.00 52.01 H new ATOM 0 HA LYS A 14 4.912 -2.421 -18.490 1.00 40.33 H new ATOM 0 HB2 LYS A 14 5.621 -3.909 -16.712 1.00 30.41 H new ATOM 0 HB3 LYS A 14 3.975 -4.434 -16.414 1.00 30.41 H new ATOM 0 HG2 LYS A 14 5.154 -6.163 -17.637 1.00 73.23 H new ATOM 0 HG3 LYS A 14 3.904 -5.488 -18.663 1.00 73.23 H new ATOM 0 HD2 LYS A 14 5.412 -4.801 -20.197 1.00 32.11 H new ATOM 0 HD3 LYS A 14 6.376 -3.984 -18.983 1.00 32.11 H new ATOM 0 HE2 LYS A 14 7.758 -5.689 -19.988 1.00 60.42 H new ATOM 0 HE3 LYS A 14 7.392 -6.199 -18.352 1.00 60.42 H new ATOM 0 HZ1 LYS A 14 7.134 -8.014 -19.914 1.00 41.11 H new ATOM 0 HZ2 LYS A 14 5.633 -7.628 -19.221 1.00 41.11 H new ATOM 0 HZ3 LYS A 14 5.988 -7.134 -20.806 1.00 41.11 H new ATOM 224 N ARG A 15 1.821 -3.523 -18.035 1.00 3.23 N ATOM 225 CA ARG A 15 0.583 -3.850 -18.730 1.00 50.11 C ATOM 226 C ARG A 15 -0.102 -2.587 -19.243 1.00 33.21 C ATOM 227 O ARG A 15 -0.524 -2.522 -20.398 1.00 21.40 O ATOM 228 CB ARG A 15 -0.363 -4.614 -17.802 1.00 4.25 C ATOM 229 CG ARG A 15 0.221 -5.916 -17.275 1.00 15.40 C ATOM 230 CD ARG A 15 -0.194 -7.100 -18.133 1.00 64.44 C ATOM 231 NE ARG A 15 -1.025 -8.047 -17.392 1.00 40.51 N ATOM 232 CZ ARG A 15 -1.694 -9.041 -17.964 1.00 45.15 C ATOM 233 NH1 ARG A 15 -1.632 -9.219 -19.277 1.00 13.42 N ATOM 234 NH2 ARG A 15 -2.427 -9.862 -17.224 1.00 25.41 N ATOM 0 H ARG A 15 1.768 -3.605 -17.020 1.00 3.23 H new ATOM 0 HA ARG A 15 0.832 -4.481 -19.583 1.00 50.11 H new ATOM 0 HB2 ARG A 15 -0.625 -3.975 -16.958 1.00 4.25 H new ATOM 0 HB3 ARG A 15 -1.287 -4.831 -18.337 1.00 4.25 H new ATOM 0 HG2 ARG A 15 1.308 -5.845 -17.252 1.00 15.40 H new ATOM 0 HG3 ARG A 15 -0.110 -6.075 -16.249 1.00 15.40 H new ATOM 0 HD2 ARG A 15 -0.741 -6.742 -19.005 1.00 64.44 H new ATOM 0 HD3 ARG A 15 0.696 -7.610 -18.502 1.00 64.44 H new ATOM 0 HE ARG A 15 -1.095 -7.938 -16.380 1.00 40.51 H new ATOM 0 HH11 ARG A 15 -1.069 -8.591 -19.851 1.00 13.42 H new ATOM 0 HH12 ARG A 15 -2.147 -9.984 -19.713 1.00 13.42 H new ATOM 0 HH21 ARG A 15 -2.477 -9.730 -16.214 1.00 25.41 H new ATOM 0 HH22 ARG A 15 -2.940 -10.625 -17.665 1.00 25.41 H new ATOM 248 N CYS A 16 -0.210 -1.585 -18.376 1.00 52.31 N ATOM 249 CA CYS A 16 -0.844 -0.324 -18.741 1.00 74.25 C ATOM 250 C CYS A 16 -0.221 0.252 -20.008 1.00 75.52 C ATOM 251 O CYS A 16 -0.880 0.964 -20.767 1.00 51.24 O ATOM 252 CB CYS A 16 -0.724 0.682 -17.596 1.00 3.54 C ATOM 253 SG CYS A 16 -1.841 0.363 -16.211 1.00 4.04 S ATOM 0 H CYS A 16 0.133 -1.622 -17.416 1.00 52.31 H new ATOM 0 HA CYS A 16 -1.899 -0.519 -18.934 1.00 74.25 H new ATOM 0 HB2 CYS A 16 0.302 0.678 -17.229 1.00 3.54 H new ATOM 0 HB3 CYS A 16 -0.920 1.682 -17.983 1.00 3.54 H new ATOM 0 HG CYS A 16 -2.016 1.459 -15.533 1.00 4.04 H new ATOM 259 N SER A 17 1.051 -0.058 -20.230 1.00 12.43 N ATOM 260 CA SER A 17 1.765 0.434 -21.402 1.00 10.22 C ATOM 261 C SER A 17 1.046 0.030 -22.685 1.00 63.51 C ATOM 262 O SER A 17 1.189 0.679 -23.720 1.00 74.45 O ATOM 263 CB SER A 17 3.198 -0.105 -21.416 1.00 35.21 C ATOM 264 OG SER A 17 4.137 0.942 -21.246 1.00 1.14 O ATOM 0 H SER A 17 1.609 -0.648 -19.613 1.00 12.43 H new ATOM 0 HA SER A 17 1.794 1.522 -21.349 1.00 10.22 H new ATOM 0 HB2 SER A 17 3.321 -0.841 -20.621 1.00 35.21 H new ATOM 0 HB3 SER A 17 3.388 -0.619 -22.358 1.00 35.21 H new ATOM 0 HG SER A 17 5.045 0.572 -21.257 1.00 1.14 H new ATOM 270 N ASN A 18 0.272 -1.049 -22.608 1.00 52.33 N ATOM 271 CA ASN A 18 -0.470 -1.541 -23.763 1.00 3.20 C ATOM 272 C ASN A 18 -1.711 -0.691 -24.015 1.00 21.22 C ATOM 273 O ASN A 18 -2.219 -0.630 -25.134 1.00 73.44 O ATOM 274 CB ASN A 18 -0.872 -3.002 -23.551 1.00 74.44 C ATOM 275 CG ASN A 18 -0.407 -3.900 -24.682 1.00 14.03 C ATOM 276 OD1 ASN A 18 -0.701 -3.646 -25.850 1.00 44.45 O ATOM 277 ND2 ASN A 18 0.322 -4.955 -24.338 1.00 13.40 N ATOM 0 H ASN A 18 0.143 -1.598 -21.758 1.00 52.33 H new ATOM 0 HA ASN A 18 0.178 -1.472 -24.637 1.00 3.20 H new ATOM 0 HB2 ASN A 18 -0.451 -3.359 -22.611 1.00 74.44 H new ATOM 0 HB3 ASN A 18 -1.956 -3.068 -23.461 1.00 74.44 H new ATOM 0 HD21 ASN A 18 0.663 -5.595 -25.055 1.00 13.40 H new ATOM 0 HD22 ASN A 18 0.541 -5.125 -23.356 1.00 13.40 H new ATOM 284 N VAL A 19 -2.195 -0.035 -22.965 1.00 12.21 N ATOM 285 CA VAL A 19 -3.375 0.814 -23.072 1.00 32.31 C ATOM 286 C VAL A 19 -3.237 1.807 -24.219 1.00 54.43 C ATOM 287 O VAL A 19 -2.144 2.300 -24.500 1.00 25.43 O ATOM 288 CB VAL A 19 -3.630 1.589 -21.764 1.00 51.23 C ATOM 289 CG1 VAL A 19 -4.876 2.453 -21.890 1.00 10.50 C ATOM 290 CG2 VAL A 19 -3.753 0.629 -20.592 1.00 64.23 C ATOM 0 H VAL A 19 -1.788 -0.075 -22.031 1.00 12.21 H new ATOM 0 HA VAL A 19 -4.221 0.155 -23.267 1.00 32.31 H new ATOM 0 HB VAL A 19 -2.779 2.245 -21.578 1.00 51.23 H new ATOM 0 HG11 VAL A 19 -5.040 2.993 -20.957 1.00 10.50 H new ATOM 0 HG12 VAL A 19 -4.743 3.166 -22.703 1.00 10.50 H new ATOM 0 HG13 VAL A 19 -5.738 1.820 -22.100 1.00 10.50 H new ATOM 0 HG21 VAL A 19 -3.933 1.193 -19.677 1.00 64.23 H new ATOM 0 HG22 VAL A 19 -4.585 -0.054 -20.767 1.00 64.23 H new ATOM 0 HG23 VAL A 19 -2.830 0.058 -20.491 1.00 64.23 H new ATOM 300 N ALA A 20 -4.352 2.098 -24.881 1.00 33.52 N ATOM 301 CA ALA A 20 -4.356 3.036 -25.998 1.00 3.12 C ATOM 302 C ALA A 20 -4.845 4.411 -25.558 1.00 11.02 C ATOM 303 O ALA A 20 -5.989 4.567 -25.132 1.00 62.41 O ATOM 304 CB ALA A 20 -5.220 2.503 -27.131 1.00 20.20 C ATOM 0 H ALA A 20 -5.265 1.698 -24.663 1.00 33.52 H new ATOM 0 HA ALA A 20 -3.332 3.142 -26.356 1.00 3.12 H new ATOM 0 HB1 ALA A 20 -5.214 3.213 -27.958 1.00 20.20 H new ATOM 0 HB2 ALA A 20 -4.824 1.546 -27.471 1.00 20.20 H new ATOM 0 HB3 ALA A 20 -6.242 2.367 -26.777 1.00 20.20 H new ATOM 310 N VAL A 21 -3.971 5.407 -25.664 1.00 32.22 N ATOM 311 CA VAL A 21 -4.314 6.770 -25.278 1.00 61.34 C ATOM 312 C VAL A 21 -5.092 7.475 -26.384 1.00 50.50 C ATOM 313 O VAL A 21 -5.851 8.408 -26.126 1.00 13.34 O ATOM 314 CB VAL A 21 -3.056 7.593 -24.945 1.00 4.35 C ATOM 315 CG1 VAL A 21 -2.064 7.543 -26.097 1.00 21.11 C ATOM 316 CG2 VAL A 21 -3.431 9.031 -24.617 1.00 3.35 C ATOM 0 H VAL A 21 -3.020 5.295 -26.014 1.00 32.22 H new ATOM 0 HA VAL A 21 -4.938 6.699 -24.387 1.00 61.34 H new ATOM 0 HB VAL A 21 -2.580 7.156 -24.067 1.00 4.35 H new ATOM 0 HG11 VAL A 21 -1.182 8.130 -25.843 1.00 21.11 H new ATOM 0 HG12 VAL A 21 -1.771 6.509 -26.280 1.00 21.11 H new ATOM 0 HG13 VAL A 21 -2.527 7.954 -26.994 1.00 21.11 H new ATOM 0 HG21 VAL A 21 -2.530 9.598 -24.384 1.00 3.35 H new ATOM 0 HG22 VAL A 21 -3.931 9.481 -25.474 1.00 3.35 H new ATOM 0 HG23 VAL A 21 -4.101 9.045 -23.757 1.00 3.35 H new ATOM 326 N GLY A 22 -4.896 7.023 -27.618 1.00 42.35 N ATOM 327 CA GLY A 22 -5.585 7.621 -28.747 1.00 33.22 C ATOM 328 C GLY A 22 -5.164 9.057 -28.987 1.00 71.35 C ATOM 329 O GLY A 22 -4.567 9.692 -28.117 1.00 42.14 O ATOM 0 H GLY A 22 -4.272 6.252 -27.857 1.00 42.35 H new ATOM 0 HA2 GLY A 22 -5.387 7.033 -29.643 1.00 33.22 H new ATOM 0 HA3 GLY A 22 -6.660 7.585 -28.573 1.00 33.22 H new ATOM 333 N VAL A 23 -5.474 9.573 -30.174 1.00 5.25 N ATOM 334 CA VAL A 23 -5.124 10.942 -30.527 1.00 11.44 C ATOM 335 C VAL A 23 -5.617 11.292 -31.926 1.00 55.33 C ATOM 336 O VAL A 23 -6.010 12.428 -32.192 1.00 24.11 O ATOM 337 CB VAL A 23 -3.601 11.168 -30.460 1.00 43.43 C ATOM 338 CG1 VAL A 23 -2.872 10.144 -31.317 1.00 73.30 C ATOM 339 CG2 VAL A 23 -3.253 12.584 -30.893 1.00 50.22 C ATOM 0 H VAL A 23 -5.967 9.062 -30.906 1.00 5.25 H new ATOM 0 HA VAL A 23 -5.612 11.591 -29.800 1.00 11.44 H new ATOM 0 HB VAL A 23 -3.276 11.039 -29.427 1.00 43.43 H new ATOM 0 HG11 VAL A 23 -1.798 10.319 -31.258 1.00 73.30 H new ATOM 0 HG12 VAL A 23 -3.097 9.141 -30.955 1.00 73.30 H new ATOM 0 HG13 VAL A 23 -3.198 10.238 -32.353 1.00 73.30 H new ATOM 0 HG21 VAL A 23 -2.174 12.726 -30.839 1.00 50.22 H new ATOM 0 HG22 VAL A 23 -3.590 12.744 -31.917 1.00 50.22 H new ATOM 0 HG23 VAL A 23 -3.746 13.298 -30.233 1.00 50.22 H new ATOM 349 N GLY A 24 -5.594 10.308 -32.820 1.00 33.33 N ATOM 350 CA GLY A 24 -6.042 10.531 -34.182 1.00 32.21 C ATOM 351 C GLY A 24 -5.112 9.913 -35.207 1.00 32.43 C ATOM 352 O GLY A 24 -4.875 10.489 -36.267 1.00 74.01 O ATOM 0 H GLY A 24 -5.273 9.360 -32.625 1.00 33.33 H new ATOM 0 HA2 GLY A 24 -7.042 10.114 -34.305 1.00 32.21 H new ATOM 0 HA3 GLY A 24 -6.119 11.603 -34.365 1.00 32.21 H new ATOM 356 N GLY A 25 -4.583 8.736 -34.889 1.00 4.45 N ATOM 357 CA GLY A 25 -3.678 8.059 -35.799 1.00 51.14 C ATOM 358 C GLY A 25 -4.065 6.612 -36.033 1.00 52.34 C ATOM 359 O GLY A 25 -5.112 6.328 -36.617 1.00 55.33 O ATOM 0 H GLY A 25 -4.765 8.239 -34.017 1.00 4.45 H new ATOM 0 HA2 GLY A 25 -3.665 8.587 -36.753 1.00 51.14 H new ATOM 0 HA3 GLY A 25 -2.666 8.101 -35.397 1.00 51.14 H new ATOM 363 N LYS A 26 -3.220 5.694 -35.579 1.00 1.45 N ATOM 364 CA LYS A 26 -3.477 4.268 -35.741 1.00 34.41 C ATOM 365 C LYS A 26 -3.213 3.516 -34.441 1.00 24.15 C ATOM 366 O LYS A 26 -4.142 3.052 -33.781 1.00 22.31 O ATOM 367 CB LYS A 26 -2.605 3.695 -36.861 1.00 31.14 C ATOM 368 CG LYS A 26 -3.361 3.445 -38.154 1.00 63.40 C ATOM 369 CD LYS A 26 -2.805 2.245 -38.901 1.00 61.14 C ATOM 370 CE LYS A 26 -3.574 0.976 -38.568 1.00 44.32 C ATOM 371 NZ LYS A 26 -2.737 -0.243 -38.751 1.00 44.41 N ATOM 0 H LYS A 26 -2.349 5.912 -35.095 1.00 1.45 H new ATOM 0 HA LYS A 26 -4.527 4.142 -36.006 1.00 34.41 H new ATOM 0 HB2 LYS A 26 -1.783 4.383 -37.058 1.00 31.14 H new ATOM 0 HB3 LYS A 26 -2.162 2.758 -36.522 1.00 31.14 H new ATOM 0 HG2 LYS A 26 -4.416 3.281 -37.934 1.00 63.40 H new ATOM 0 HG3 LYS A 26 -3.301 4.329 -38.788 1.00 63.40 H new ATOM 0 HD2 LYS A 26 -2.852 2.429 -39.974 1.00 61.14 H new ATOM 0 HD3 LYS A 26 -1.754 2.112 -38.647 1.00 61.14 H new ATOM 0 HE2 LYS A 26 -3.926 1.024 -37.537 1.00 44.32 H new ATOM 0 HE3 LYS A 26 -4.457 0.909 -39.203 1.00 44.32 H new ATOM 0 HZ1 LYS A 26 -3.297 -1.087 -38.514 1.00 44.41 H new ATOM 0 HZ2 LYS A 26 -2.422 -0.303 -39.740 1.00 44.41 H new ATOM 0 HZ3 LYS A 26 -1.907 -0.191 -38.126 1.00 44.41 H new ATOM 385 N SER A 27 -1.939 3.400 -34.078 1.00 60.23 N ATOM 386 CA SER A 27 -1.553 2.702 -32.858 1.00 15.15 C ATOM 387 C SER A 27 -2.029 3.462 -31.623 1.00 74.34 C ATOM 388 O SER A 27 -2.988 3.060 -30.964 1.00 31.23 O ATOM 389 CB SER A 27 -0.034 2.524 -32.805 1.00 71.13 C ATOM 390 OG SER A 27 0.401 1.578 -33.767 1.00 33.31 O ATOM 0 H SER A 27 -1.157 3.780 -34.612 1.00 60.23 H new ATOM 0 HA SER A 27 -2.027 1.721 -32.866 1.00 15.15 H new ATOM 0 HB2 SER A 27 0.454 3.482 -32.985 1.00 71.13 H new ATOM 0 HB3 SER A 27 0.263 2.197 -31.808 1.00 71.13 H new ATOM 0 HG SER A 27 1.375 1.483 -33.715 1.00 33.31 H new ATOM 396 N LYS A 28 -1.353 4.563 -31.316 1.00 10.34 N ATOM 397 CA LYS A 28 -1.705 5.382 -30.162 1.00 51.10 C ATOM 398 C LYS A 28 -1.529 4.599 -28.865 1.00 12.31 C ATOM 399 O LYS A 28 -2.419 4.577 -28.015 1.00 34.21 O ATOM 400 CB LYS A 28 -3.149 5.873 -30.282 1.00 13.14 C ATOM 401 CG LYS A 28 -3.496 6.416 -31.657 1.00 52.51 C ATOM 402 CD LYS A 28 -4.529 5.547 -32.355 1.00 51.53 C ATOM 403 CE LYS A 28 -5.945 5.999 -32.034 1.00 53.14 C ATOM 404 NZ LYS A 28 -6.599 5.105 -31.040 1.00 21.33 N ATOM 0 H LYS A 28 -0.557 4.910 -31.851 1.00 10.34 H new ATOM 0 HA LYS A 28 -1.036 6.242 -30.140 1.00 51.10 H new ATOM 0 HB2 LYS A 28 -3.824 5.051 -30.045 1.00 13.14 H new ATOM 0 HB3 LYS A 28 -3.322 6.652 -29.539 1.00 13.14 H new ATOM 0 HG2 LYS A 28 -3.878 7.432 -31.562 1.00 52.51 H new ATOM 0 HG3 LYS A 28 -2.594 6.471 -32.266 1.00 52.51 H new ATOM 0 HD2 LYS A 28 -4.369 5.584 -33.433 1.00 51.53 H new ATOM 0 HD3 LYS A 28 -4.399 4.509 -32.049 1.00 51.53 H new ATOM 0 HE2 LYS A 28 -5.922 7.018 -31.647 1.00 53.14 H new ATOM 0 HE3 LYS A 28 -6.536 6.019 -32.949 1.00 53.14 H new ATOM 0 HZ1 LYS A 28 -7.522 5.501 -30.771 1.00 21.33 H new ATOM 0 HZ2 LYS A 28 -6.736 4.162 -31.458 1.00 21.33 H new ATOM 0 HZ3 LYS A 28 -5.997 5.026 -30.196 1.00 21.33 H new ATOM 418 N LYS A 29 -0.374 3.958 -28.718 1.00 44.01 N ATOM 419 CA LYS A 29 -0.080 3.175 -27.523 1.00 53.43 C ATOM 420 C LYS A 29 0.496 4.061 -26.422 1.00 63.21 C ATOM 421 O LYS A 29 1.366 4.894 -26.673 1.00 33.23 O ATOM 422 CB LYS A 29 0.905 2.051 -27.856 1.00 22.44 C ATOM 423 CG LYS A 29 0.503 0.704 -27.282 1.00 45.23 C ATOM 424 CD LYS A 29 1.496 -0.383 -27.663 1.00 13.33 C ATOM 425 CE LYS A 29 1.303 -0.836 -29.101 1.00 1.30 C ATOM 426 NZ LYS A 29 2.487 -0.517 -29.947 1.00 63.45 N ATOM 0 H LYS A 29 0.374 3.965 -29.412 1.00 44.01 H new ATOM 0 HA LYS A 29 -1.012 2.739 -27.164 1.00 53.43 H new ATOM 0 HB2 LYS A 29 0.992 1.964 -28.939 1.00 22.44 H new ATOM 0 HB3 LYS A 29 1.891 2.319 -27.477 1.00 22.44 H new ATOM 0 HG2 LYS A 29 0.438 0.775 -26.196 1.00 45.23 H new ATOM 0 HG3 LYS A 29 -0.489 0.435 -27.644 1.00 45.23 H new ATOM 0 HD2 LYS A 29 2.512 -0.011 -27.531 1.00 13.33 H new ATOM 0 HD3 LYS A 29 1.379 -1.235 -26.993 1.00 13.33 H new ATOM 0 HE2 LYS A 29 1.121 -1.910 -29.122 1.00 1.30 H new ATOM 0 HE3 LYS A 29 0.418 -0.354 -29.518 1.00 1.30 H new ATOM 0 HZ1 LYS A 29 2.316 -0.842 -30.920 1.00 63.45 H new ATOM 0 HZ2 LYS A 29 2.646 0.511 -29.948 1.00 63.45 H new ATOM 0 HZ3 LYS A 29 3.327 -0.997 -29.564 1.00 63.45 H new ATOM 440 N PHE A 30 0.004 3.872 -25.202 1.00 51.21 N ATOM 441 CA PHE A 30 0.470 4.653 -24.062 1.00 25.12 C ATOM 442 C PHE A 30 1.975 4.494 -23.871 1.00 54.35 C ATOM 443 O PHE A 30 2.639 3.800 -24.640 1.00 43.02 O ATOM 444 CB PHE A 30 -0.264 4.224 -22.789 1.00 73.02 C ATOM 445 CG PHE A 30 -1.324 5.195 -22.352 1.00 42.33 C ATOM 446 CD1 PHE A 30 -2.666 4.904 -22.535 1.00 61.51 C ATOM 447 CD2 PHE A 30 -0.978 6.399 -21.761 1.00 32.34 C ATOM 448 CE1 PHE A 30 -3.644 5.794 -22.134 1.00 31.21 C ATOM 449 CE2 PHE A 30 -1.951 7.294 -21.358 1.00 20.51 C ATOM 450 CZ PHE A 30 -3.286 6.991 -21.545 1.00 72.42 C ATOM 0 H PHE A 30 -0.716 3.186 -24.978 1.00 51.21 H new ATOM 0 HA PHE A 30 0.256 5.703 -24.262 1.00 25.12 H new ATOM 0 HB2 PHE A 30 -0.722 3.249 -22.954 1.00 73.02 H new ATOM 0 HB3 PHE A 30 0.461 4.103 -21.984 1.00 73.02 H new ATOM 0 HD1 PHE A 30 -2.951 3.970 -22.997 1.00 61.51 H new ATOM 0 HD2 PHE A 30 0.064 6.641 -21.613 1.00 32.34 H new ATOM 0 HE1 PHE A 30 -4.687 5.554 -22.281 1.00 31.21 H new ATOM 0 HE2 PHE A 30 -1.668 8.229 -20.897 1.00 20.51 H new ATOM 0 HZ PHE A 30 -4.048 7.689 -21.231 1.00 72.42 H new ATOM 460 N GLY A 31 2.508 5.144 -22.842 1.00 1.41 N ATOM 461 CA GLY A 31 3.931 5.063 -22.569 1.00 52.40 C ATOM 462 C GLY A 31 4.292 5.613 -21.203 1.00 3.32 C ATOM 463 O GLY A 31 3.444 6.172 -20.509 1.00 24.43 O ATOM 0 H GLY A 31 1.980 5.726 -22.192 1.00 1.41 H new ATOM 0 HA2 GLY A 31 4.252 4.023 -22.635 1.00 52.40 H new ATOM 0 HA3 GLY A 31 4.477 5.614 -23.335 1.00 52.40 H new ATOM 467 N GLU A 32 5.554 5.452 -20.817 1.00 3.35 N ATOM 468 CA GLU A 32 6.024 5.935 -19.523 1.00 63.23 C ATOM 469 C GLU A 32 5.809 7.439 -19.393 1.00 51.04 C ATOM 470 O GLU A 32 5.266 7.916 -18.398 1.00 71.30 O ATOM 471 CB GLU A 32 7.505 5.601 -19.337 1.00 41.20 C ATOM 472 CG GLU A 32 7.851 4.159 -19.667 1.00 73.11 C ATOM 473 CD GLU A 32 8.547 3.449 -18.521 1.00 54.04 C ATOM 474 OE1 GLU A 32 9.545 3.993 -18.005 1.00 54.34 O ATOM 475 OE2 GLU A 32 8.093 2.350 -18.142 1.00 43.12 O ATOM 0 H GLU A 32 6.269 4.992 -21.381 1.00 3.35 H new ATOM 0 HA GLU A 32 5.446 5.435 -18.745 1.00 63.23 H new ATOM 0 HB2 GLU A 32 8.100 6.262 -19.968 1.00 41.20 H new ATOM 0 HB3 GLU A 32 7.788 5.806 -18.305 1.00 41.20 H new ATOM 0 HG2 GLU A 32 6.939 3.620 -19.923 1.00 73.11 H new ATOM 0 HG3 GLU A 32 8.493 4.136 -20.548 1.00 73.11 H new ATOM 482 N GLY A 33 6.241 8.182 -20.408 1.00 35.13 N ATOM 483 CA GLY A 33 6.088 9.626 -20.387 1.00 1.41 C ATOM 484 C GLY A 33 4.636 10.054 -20.319 1.00 72.42 C ATOM 485 O GLY A 33 4.306 11.056 -19.686 1.00 12.44 O ATOM 0 H GLY A 33 6.694 7.811 -21.243 1.00 35.13 H new ATOM 0 HA2 GLY A 33 6.624 10.033 -19.529 1.00 1.41 H new ATOM 0 HA3 GLY A 33 6.547 10.050 -21.280 1.00 1.41 H new ATOM 489 N ASN A 34 3.765 9.294 -20.974 1.00 62.00 N ATOM 490 CA ASN A 34 2.339 9.602 -20.987 1.00 0.40 C ATOM 491 C ASN A 34 1.736 9.442 -19.595 1.00 72.42 C ATOM 492 O ASN A 34 1.186 10.389 -19.032 1.00 41.52 O ATOM 493 CB ASN A 34 1.608 8.694 -21.978 1.00 41.42 C ATOM 494 CG ASN A 34 2.011 8.967 -23.416 1.00 65.41 C ATOM 495 OD1 ASN A 34 2.216 10.115 -23.807 1.00 13.14 O ATOM 496 ND2 ASN A 34 2.123 7.908 -24.209 1.00 35.10 N ATOM 0 H ASN A 34 4.021 8.460 -21.503 1.00 62.00 H new ATOM 0 HA ASN A 34 2.220 10.640 -21.299 1.00 0.40 H new ATOM 0 HB2 ASN A 34 1.818 7.652 -21.736 1.00 41.42 H new ATOM 0 HB3 ASN A 34 0.532 8.835 -21.871 1.00 41.42 H new ATOM 0 HD21 ASN A 34 2.389 8.029 -25.186 1.00 35.10 H new ATOM 0 HD22 ASN A 34 1.943 6.974 -23.841 1.00 35.10 H new ATOM 503 N PHE A 35 1.843 8.237 -19.044 1.00 34.12 N ATOM 504 CA PHE A 35 1.307 7.953 -17.718 1.00 5.14 C ATOM 505 C PHE A 35 1.940 8.862 -16.670 1.00 10.14 C ATOM 506 O PHE A 35 1.353 9.118 -15.618 1.00 22.41 O ATOM 507 CB PHE A 35 1.550 6.487 -17.351 1.00 13.03 C ATOM 508 CG PHE A 35 0.685 5.526 -18.116 1.00 15.41 C ATOM 509 CD1 PHE A 35 1.226 4.377 -18.670 1.00 61.32 C ATOM 510 CD2 PHE A 35 -0.668 5.772 -18.281 1.00 33.44 C ATOM 511 CE1 PHE A 35 0.432 3.491 -19.374 1.00 44.52 C ATOM 512 CE2 PHE A 35 -1.467 4.890 -18.983 1.00 3.31 C ATOM 513 CZ PHE A 35 -0.915 3.748 -19.532 1.00 0.13 C ATOM 0 H PHE A 35 2.296 7.442 -19.495 1.00 34.12 H new ATOM 0 HA PHE A 35 0.234 8.143 -17.738 1.00 5.14 H new ATOM 0 HB2 PHE A 35 2.597 6.244 -17.532 1.00 13.03 H new ATOM 0 HB3 PHE A 35 1.372 6.354 -16.284 1.00 13.03 H new ATOM 0 HD1 PHE A 35 2.279 4.171 -18.551 1.00 61.32 H new ATOM 0 HD2 PHE A 35 -1.104 6.664 -17.856 1.00 33.44 H new ATOM 0 HE1 PHE A 35 0.865 2.598 -19.800 1.00 44.52 H new ATOM 0 HE2 PHE A 35 -2.521 5.093 -19.103 1.00 3.31 H new ATOM 0 HZ PHE A 35 -1.536 3.058 -20.084 1.00 0.13 H new ATOM 523 N ARG A 36 3.142 9.347 -16.963 1.00 34.30 N ATOM 524 CA ARG A 36 3.856 10.228 -16.046 1.00 4.20 C ATOM 525 C ARG A 36 3.146 11.573 -15.920 1.00 3.20 C ATOM 526 O ARG A 36 2.720 11.961 -14.833 1.00 22.45 O ATOM 527 CB ARG A 36 5.293 10.440 -16.524 1.00 13.03 C ATOM 528 CG ARG A 36 6.333 9.760 -15.649 1.00 1.34 C ATOM 529 CD ARG A 36 7.660 9.605 -16.376 1.00 74.51 C ATOM 530 NE ARG A 36 8.652 10.573 -15.915 1.00 72.13 N ATOM 531 CZ ARG A 36 9.945 10.498 -16.215 1.00 74.41 C ATOM 532 NH1 ARG A 36 10.398 9.508 -16.970 1.00 72.22 N ATOM 533 NH2 ARG A 36 10.786 11.417 -15.758 1.00 74.52 N ATOM 0 H ARG A 36 3.642 9.145 -17.829 1.00 34.30 H new ATOM 0 HA ARG A 36 3.873 9.753 -15.065 1.00 4.20 H new ATOM 0 HB2 ARG A 36 5.387 10.065 -17.543 1.00 13.03 H new ATOM 0 HB3 ARG A 36 5.502 11.509 -16.557 1.00 13.03 H new ATOM 0 HG2 ARG A 36 6.481 10.342 -14.740 1.00 1.34 H new ATOM 0 HG3 ARG A 36 5.968 8.779 -15.344 1.00 1.34 H new ATOM 0 HD2 ARG A 36 8.041 8.595 -16.224 1.00 74.51 H new ATOM 0 HD3 ARG A 36 7.503 9.729 -17.448 1.00 74.51 H new ATOM 0 HE ARG A 36 8.336 11.348 -15.332 1.00 72.13 H new ATOM 0 HH11 ARG A 36 9.754 8.800 -17.323 1.00 72.22 H new ATOM 0 HH12 ARG A 36 11.391 9.454 -17.198 1.00 72.22 H new ATOM 0 HH21 ARG A 36 10.440 12.181 -15.177 1.00 74.52 H new ATOM 0 HH22 ARG A 36 11.778 11.360 -15.988 1.00 74.52 H new ATOM 547 N TRP A 37 3.025 12.278 -17.038 1.00 51.41 N ATOM 548 CA TRP A 37 2.368 13.580 -17.054 1.00 14.33 C ATOM 549 C TRP A 37 0.945 13.478 -16.517 1.00 11.23 C ATOM 550 O TRP A 37 0.437 14.413 -15.898 1.00 22.10 O ATOM 551 CB TRP A 37 2.352 14.150 -18.472 1.00 52.52 C ATOM 552 CG TRP A 37 1.499 15.375 -18.611 1.00 72.41 C ATOM 553 CD1 TRP A 37 1.924 16.672 -18.631 1.00 0.44 C ATOM 554 CD2 TRP A 37 0.074 15.416 -18.749 1.00 2.05 C ATOM 555 NE1 TRP A 37 0.850 17.518 -18.771 1.00 21.43 N ATOM 556 CE2 TRP A 37 -0.296 16.771 -18.846 1.00 13.31 C ATOM 557 CE3 TRP A 37 -0.924 14.439 -18.800 1.00 34.02 C ATOM 558 CZ2 TRP A 37 -1.622 17.172 -18.991 1.00 4.34 C ATOM 559 CZ3 TRP A 37 -2.240 14.839 -18.943 1.00 40.32 C ATOM 560 CH2 TRP A 37 -2.578 16.195 -19.038 1.00 73.11 C ATOM 0 H TRP A 37 3.373 11.970 -17.946 1.00 51.41 H new ATOM 0 HA TRP A 37 2.933 14.252 -16.408 1.00 14.33 H new ATOM 0 HB2 TRP A 37 3.372 14.391 -18.770 1.00 52.52 H new ATOM 0 HB3 TRP A 37 1.991 13.385 -19.159 1.00 52.52 H new ATOM 0 HD1 TRP A 37 2.954 16.987 -18.549 1.00 0.44 H new ATOM 0 HE1 TRP A 37 0.898 18.536 -18.812 1.00 21.43 H new ATOM 0 HE3 TRP A 37 -0.672 13.391 -18.729 1.00 34.02 H new ATOM 0 HZ2 TRP A 37 -1.886 18.217 -19.064 1.00 4.34 H new ATOM 0 HZ3 TRP A 37 -3.020 14.093 -18.982 1.00 40.32 H new ATOM 0 HH2 TRP A 37 -3.615 16.475 -19.151 1.00 73.11 H new ATOM 571 N ALA A 38 0.307 12.338 -16.758 1.00 61.30 N ATOM 572 CA ALA A 38 -1.057 12.113 -16.296 1.00 54.13 C ATOM 573 C ALA A 38 -1.094 11.855 -14.795 1.00 2.13 C ATOM 574 O ALA A 38 -1.646 12.649 -14.032 1.00 2.23 O ATOM 575 CB ALA A 38 -1.685 10.948 -17.049 1.00 54.51 C ATOM 0 H ALA A 38 0.713 11.555 -17.271 1.00 61.30 H new ATOM 0 HA ALA A 38 -1.634 13.015 -16.497 1.00 54.13 H new ATOM 0 HB1 ALA A 38 -2.703 10.792 -16.693 1.00 54.51 H new ATOM 0 HB2 ALA A 38 -1.703 11.172 -18.116 1.00 54.51 H new ATOM 0 HB3 ALA A 38 -1.098 10.045 -16.878 1.00 54.51 H new ATOM 581 N ILE A 39 -0.502 10.741 -14.376 1.00 24.45 N ATOM 582 CA ILE A 39 -0.467 10.380 -12.964 1.00 41.25 C ATOM 583 C ILE A 39 0.062 11.531 -12.115 1.00 72.02 C ATOM 584 O ILE A 39 -0.458 11.808 -11.033 1.00 42.22 O ATOM 585 CB ILE A 39 0.407 9.135 -12.724 1.00 31.23 C ATOM 586 CG1 ILE A 39 -0.177 7.925 -13.455 1.00 2.02 C ATOM 587 CG2 ILE A 39 0.528 8.852 -11.233 1.00 32.32 C ATOM 588 CD1 ILE A 39 0.759 6.737 -13.502 1.00 73.42 C ATOM 0 H ILE A 39 -0.040 10.073 -14.994 1.00 24.45 H new ATOM 0 HA ILE A 39 -1.492 10.157 -12.669 1.00 41.25 H new ATOM 0 HB ILE A 39 1.404 9.328 -13.120 1.00 31.23 H new ATOM 0 HG12 ILE A 39 -1.104 7.628 -12.965 1.00 2.02 H new ATOM 0 HG13 ILE A 39 -0.434 8.215 -14.474 1.00 2.02 H new ATOM 0 HG21 ILE A 39 1.149 7.969 -11.079 1.00 32.32 H new ATOM 0 HG22 ILE A 39 0.985 9.708 -10.736 1.00 32.32 H new ATOM 0 HG23 ILE A 39 -0.463 8.676 -10.814 1.00 32.32 H new ATOM 0 HD11 ILE A 39 0.279 5.916 -14.035 1.00 73.42 H new ATOM 0 HD12 ILE A 39 1.677 7.017 -14.018 1.00 73.42 H new ATOM 0 HD13 ILE A 39 0.996 6.420 -12.486 1.00 73.42 H new ATOM 600 N ARG A 40 1.097 12.200 -12.613 1.00 61.12 N ATOM 601 CA ARG A 40 1.696 13.321 -11.901 1.00 74.50 C ATOM 602 C ARG A 40 0.716 14.487 -11.799 1.00 21.41 C ATOM 603 O ARG A 40 0.380 14.934 -10.703 1.00 73.34 O ATOM 604 CB ARG A 40 2.974 13.777 -12.606 1.00 23.42 C ATOM 605 CG ARG A 40 3.603 15.015 -11.988 1.00 23.21 C ATOM 606 CD ARG A 40 5.062 15.159 -12.390 1.00 51.35 C ATOM 607 NE ARG A 40 5.525 16.540 -12.284 1.00 41.21 N ATOM 608 CZ ARG A 40 6.666 16.975 -12.807 1.00 1.31 C ATOM 609 NH1 ARG A 40 7.456 16.141 -13.470 1.00 22.15 N ATOM 610 NH2 ARG A 40 7.020 18.246 -12.669 1.00 22.44 N ATOM 0 H ARG A 40 1.538 11.984 -13.507 1.00 61.12 H new ATOM 0 HA ARG A 40 1.944 12.987 -10.893 1.00 74.50 H new ATOM 0 HB2 ARG A 40 3.699 12.963 -12.587 1.00 23.42 H new ATOM 0 HB3 ARG A 40 2.749 13.979 -13.653 1.00 23.42 H new ATOM 0 HG2 ARG A 40 3.049 15.900 -12.301 1.00 23.21 H new ATOM 0 HG3 ARG A 40 3.528 14.959 -10.902 1.00 23.21 H new ATOM 0 HD2 ARG A 40 5.677 14.521 -11.756 1.00 51.35 H new ATOM 0 HD3 ARG A 40 5.192 14.811 -13.415 1.00 51.35 H new ATOM 0 HE ARG A 40 4.940 17.207 -11.781 1.00 41.21 H new ATOM 0 HH11 ARG A 40 7.188 15.163 -13.579 1.00 22.15 H new ATOM 0 HH12 ARG A 40 8.332 16.478 -13.871 1.00 22.15 H new ATOM 0 HH21 ARG A 40 6.416 18.891 -12.160 1.00 22.44 H new ATOM 0 HH22 ARG A 40 7.897 18.578 -13.071 1.00 22.44 H new ATOM 624 N MET A 41 0.261 14.973 -12.949 1.00 44.22 N ATOM 625 CA MET A 41 -0.681 16.085 -12.990 1.00 22.15 C ATOM 626 C MET A 41 -1.881 15.815 -12.087 1.00 60.32 C ATOM 627 O MET A 41 -2.472 16.740 -11.531 1.00 64.14 O ATOM 628 CB MET A 41 -1.152 16.332 -14.424 1.00 44.22 C ATOM 629 CG MET A 41 -2.111 17.503 -14.556 1.00 55.43 C ATOM 630 SD MET A 41 -1.298 19.095 -14.322 1.00 54.52 S ATOM 631 CE MET A 41 -2.698 20.134 -13.911 1.00 31.12 C ATOM 0 H MET A 41 0.530 14.614 -13.865 1.00 44.22 H new ATOM 0 HA MET A 41 -0.168 16.975 -12.626 1.00 22.15 H new ATOM 0 HB2 MET A 41 -0.283 16.512 -15.057 1.00 44.22 H new ATOM 0 HB3 MET A 41 -1.638 15.431 -14.798 1.00 44.22 H new ATOM 0 HG2 MET A 41 -2.576 17.478 -15.542 1.00 55.43 H new ATOM 0 HG3 MET A 41 -2.911 17.397 -13.824 1.00 55.43 H new ATOM 0 HE1 MET A 41 -2.355 21.154 -13.737 1.00 31.12 H new ATOM 0 HE2 MET A 41 -3.411 20.126 -14.735 1.00 31.12 H new ATOM 0 HE3 MET A 41 -3.180 19.755 -13.010 1.00 31.12 H new ATOM 641 N ALA A 42 -2.235 14.541 -11.948 1.00 33.43 N ATOM 642 CA ALA A 42 -3.363 14.150 -11.112 1.00 62.14 C ATOM 643 C ALA A 42 -3.059 14.378 -9.636 1.00 21.12 C ATOM 644 O ALA A 42 -3.862 14.962 -8.910 1.00 24.34 O ATOM 645 CB ALA A 42 -3.722 12.691 -11.359 1.00 52.35 C ATOM 0 H ALA A 42 -1.757 13.763 -12.403 1.00 33.43 H new ATOM 0 HA ALA A 42 -4.215 14.774 -11.381 1.00 62.14 H new ATOM 0 HB1 ALA A 42 -4.566 12.412 -10.728 1.00 52.35 H new ATOM 0 HB2 ALA A 42 -3.991 12.555 -12.406 1.00 52.35 H new ATOM 0 HB3 ALA A 42 -2.866 12.060 -11.119 1.00 52.35 H new ATOM 651 N ASN A 43 -1.893 13.913 -9.198 1.00 55.45 N ATOM 652 CA ASN A 43 -1.482 14.066 -7.807 1.00 23.01 C ATOM 653 C ASN A 43 -1.349 15.541 -7.439 1.00 24.53 C ATOM 654 O ASN A 43 -1.928 15.999 -6.453 1.00 51.22 O ATOM 655 CB ASN A 43 -0.155 13.346 -7.564 1.00 24.23 C ATOM 656 CG ASN A 43 -0.085 12.005 -8.269 1.00 33.52 C ATOM 657 OD1 ASN A 43 -1.101 11.332 -8.448 1.00 71.21 O ATOM 658 ND2 ASN A 43 1.116 11.610 -8.673 1.00 11.41 N ATOM 0 H ASN A 43 -1.216 13.427 -9.786 1.00 55.45 H new ATOM 0 HA ASN A 43 -2.250 13.620 -7.175 1.00 23.01 H new ATOM 0 HB2 ASN A 43 0.665 13.977 -7.907 1.00 24.23 H new ATOM 0 HB3 ASN A 43 -0.016 13.198 -6.493 1.00 24.23 H new ATOM 0 HD21 ASN A 43 1.224 10.717 -9.153 1.00 11.41 H new ATOM 0 HD22 ASN A 43 1.931 12.200 -8.503 1.00 11.41 H new ATOM 665 N VAL A 44 -0.584 16.278 -8.236 1.00 71.02 N ATOM 666 CA VAL A 44 -0.377 17.701 -7.995 1.00 42.42 C ATOM 667 C VAL A 44 -1.699 18.457 -7.998 1.00 32.32 C ATOM 668 O VAL A 44 -1.955 19.286 -7.124 1.00 21.11 O ATOM 669 CB VAL A 44 0.558 18.318 -9.053 1.00 15.05 C ATOM 670 CG1 VAL A 44 0.782 19.796 -8.769 1.00 55.43 C ATOM 671 CG2 VAL A 44 1.881 17.568 -9.097 1.00 14.24 C ATOM 0 H VAL A 44 -0.097 15.914 -9.055 1.00 71.02 H new ATOM 0 HA VAL A 44 0.087 17.792 -7.013 1.00 42.42 H new ATOM 0 HB VAL A 44 0.084 18.228 -10.030 1.00 15.05 H new ATOM 0 HG11 VAL A 44 1.445 20.216 -9.526 1.00 55.43 H new ATOM 0 HG12 VAL A 44 -0.174 20.320 -8.793 1.00 55.43 H new ATOM 0 HG13 VAL A 44 1.236 19.913 -7.785 1.00 55.43 H new ATOM 0 HG21 VAL A 44 2.529 18.017 -9.850 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.364 17.625 -8.122 1.00 14.24 H new ATOM 0 HG23 VAL A 44 1.699 16.524 -9.351 1.00 14.24 H new ATOM 681 N SER A 45 -2.539 18.167 -8.987 1.00 25.03 N ATOM 682 CA SER A 45 -3.836 18.823 -9.106 1.00 21.02 C ATOM 683 C SER A 45 -4.646 18.661 -7.823 1.00 63.23 C ATOM 684 O SER A 45 -5.504 19.487 -7.508 1.00 3.23 O ATOM 685 CB SER A 45 -4.615 18.247 -10.290 1.00 72.30 C ATOM 686 OG SER A 45 -5.949 18.724 -10.303 1.00 32.41 O ATOM 0 H SER A 45 -2.344 17.482 -9.717 1.00 25.03 H new ATOM 0 HA SER A 45 -3.664 19.886 -9.275 1.00 21.02 H new ATOM 0 HB2 SER A 45 -4.119 18.518 -11.222 1.00 72.30 H new ATOM 0 HB3 SER A 45 -4.615 17.158 -10.234 1.00 72.30 H new ATOM 0 HG SER A 45 -6.326 18.618 -11.201 1.00 32.41 H new ATOM 692 N THR A 46 -4.368 17.590 -7.085 1.00 71.30 N ATOM 693 CA THR A 46 -5.070 17.319 -5.838 1.00 22.12 C ATOM 694 C THR A 46 -4.277 17.826 -4.639 1.00 20.51 C ATOM 695 O THR A 46 -4.840 18.088 -3.576 1.00 52.43 O ATOM 696 CB THR A 46 -5.339 15.812 -5.661 1.00 2.24 C ATOM 697 OG1 THR A 46 -4.344 15.052 -6.358 1.00 21.22 O ATOM 698 CG2 THR A 46 -6.721 15.444 -6.179 1.00 61.14 C ATOM 0 H THR A 46 -3.661 16.897 -7.330 1.00 71.30 H new ATOM 0 HA THR A 46 -6.022 17.847 -5.890 1.00 22.12 H new ATOM 0 HB THR A 46 -5.294 15.580 -4.597 1.00 2.24 H new ATOM 0 HG1 THR A 46 -3.453 15.319 -6.050 1.00 21.22 H new ATOM 0 HG21 THR A 46 -6.888 14.375 -6.043 1.00 61.14 H new ATOM 0 HG22 THR A 46 -7.477 16.002 -5.627 1.00 61.14 H new ATOM 0 HG23 THR A 46 -6.790 15.690 -7.239 1.00 61.14 H new ATOM 706 N GLY A 47 -2.966 17.963 -4.816 1.00 64.13 N ATOM 707 CA GLY A 47 -2.118 18.438 -3.740 1.00 15.23 C ATOM 708 C GLY A 47 -1.585 17.311 -2.879 1.00 41.12 C ATOM 709 O GLY A 47 -1.688 17.355 -1.653 1.00 43.25 O ATOM 0 H GLY A 47 -2.477 17.753 -5.686 1.00 64.13 H new ATOM 0 HA2 GLY A 47 -1.281 18.996 -4.161 1.00 15.23 H new ATOM 0 HA3 GLY A 47 -2.682 19.131 -3.116 1.00 15.23 H new ATOM 713 N ARG A 48 -1.016 16.296 -3.521 1.00 64.25 N ATOM 714 CA ARG A 48 -0.469 15.149 -2.806 1.00 54.13 C ATOM 715 C ARG A 48 0.977 14.890 -3.220 1.00 64.32 C ATOM 716 O ARG A 48 1.360 13.752 -3.487 1.00 50.45 O ATOM 717 CB ARG A 48 -1.317 13.904 -3.070 1.00 31.22 C ATOM 718 CG ARG A 48 -1.332 12.920 -1.911 1.00 33.12 C ATOM 719 CD ARG A 48 -2.539 11.998 -1.978 1.00 43.43 C ATOM 720 NE ARG A 48 -3.670 12.518 -1.214 1.00 42.34 N ATOM 721 CZ ARG A 48 -4.737 11.794 -0.896 1.00 53.22 C ATOM 722 NH1 ARG A 48 -4.818 10.525 -1.272 1.00 13.33 N ATOM 723 NH2 ARG A 48 -5.725 12.339 -0.198 1.00 64.33 N ATOM 0 H ARG A 48 -0.922 16.245 -4.535 1.00 64.25 H new ATOM 0 HA ARG A 48 -0.489 15.374 -1.740 1.00 54.13 H new ATOM 0 HB2 ARG A 48 -2.340 14.211 -3.288 1.00 31.22 H new ATOM 0 HB3 ARG A 48 -0.939 13.399 -3.959 1.00 31.22 H new ATOM 0 HG2 ARG A 48 -0.418 12.326 -1.925 1.00 33.12 H new ATOM 0 HG3 ARG A 48 -1.343 13.467 -0.968 1.00 33.12 H new ATOM 0 HD2 ARG A 48 -2.835 11.864 -3.018 1.00 43.43 H new ATOM 0 HD3 ARG A 48 -2.265 11.015 -1.596 1.00 43.43 H new ATOM 0 HE ARG A 48 -3.639 13.490 -0.908 1.00 42.34 H new ATOM 0 HH11 ARG A 48 -4.059 10.102 -1.807 1.00 13.33 H new ATOM 0 HH12 ARG A 48 -5.639 9.972 -1.026 1.00 13.33 H new ATOM 0 HH21 ARG A 48 -5.665 13.314 0.095 1.00 64.33 H new ATOM 0 HH22 ARG A 48 -6.544 11.783 0.046 1.00 64.33 H new ATOM 737 N GLU A 49 1.772 15.954 -3.271 1.00 20.21 N ATOM 738 CA GLU A 49 3.174 15.841 -3.653 1.00 4.20 C ATOM 739 C GLU A 49 3.308 15.337 -5.087 1.00 44.24 C ATOM 740 O GLU A 49 2.388 14.746 -5.653 1.00 21.51 O ATOM 741 CB GLU A 49 3.912 14.898 -2.700 1.00 34.30 C ATOM 742 CG GLU A 49 4.748 15.621 -1.657 1.00 5.05 C ATOM 743 CD GLU A 49 3.976 15.904 -0.384 1.00 32.22 C ATOM 744 OE1 GLU A 49 4.003 17.064 0.080 1.00 42.34 O ATOM 745 OE2 GLU A 49 3.345 14.968 0.149 1.00 35.54 O ATOM 0 H GLU A 49 1.469 16.903 -3.053 1.00 20.21 H new ATOM 0 HA GLU A 49 3.621 16.833 -3.590 1.00 4.20 H new ATOM 0 HB2 GLU A 49 3.184 14.263 -2.194 1.00 34.30 H new ATOM 0 HB3 GLU A 49 4.559 14.241 -3.281 1.00 34.30 H new ATOM 0 HG2 GLU A 49 5.625 15.019 -1.419 1.00 5.05 H new ATOM 0 HG3 GLU A 49 5.110 16.561 -2.074 1.00 5.05 H new ATOM 752 N PRO A 50 4.482 15.574 -5.691 1.00 31.21 N ATOM 753 CA PRO A 50 4.764 15.154 -7.066 1.00 43.23 C ATOM 754 C PRO A 50 4.894 13.640 -7.194 1.00 51.41 C ATOM 755 O PRO A 50 4.291 13.027 -8.074 1.00 0.41 O ATOM 756 CB PRO A 50 6.100 15.834 -7.378 1.00 61.02 C ATOM 757 CG PRO A 50 6.744 16.029 -6.049 1.00 43.34 C ATOM 758 CD PRO A 50 5.624 16.273 -5.077 1.00 72.11 C ATOM 0 HA PRO A 50 3.961 15.429 -7.749 1.00 43.23 H new ATOM 0 HB2 PRO A 50 6.717 15.215 -8.030 1.00 61.02 H new ATOM 0 HB3 PRO A 50 5.951 16.785 -7.889 1.00 61.02 H new ATOM 0 HG2 PRO A 50 7.324 15.151 -5.764 1.00 43.34 H new ATOM 0 HG3 PRO A 50 7.433 16.873 -6.070 1.00 43.34 H new ATOM 0 HD2 PRO A 50 5.855 15.875 -4.089 1.00 72.11 H new ATOM 0 HD3 PRO A 50 5.424 17.337 -4.953 1.00 72.11 H new ATOM 766 N GLY A 51 5.687 13.042 -6.310 1.00 71.54 N ATOM 767 CA GLY A 51 5.881 11.604 -6.341 1.00 41.32 C ATOM 768 C GLY A 51 4.749 10.851 -5.672 1.00 53.12 C ATOM 769 O GLY A 51 4.879 10.406 -4.532 1.00 43.13 O ATOM 0 H GLY A 51 6.198 13.528 -5.573 1.00 71.54 H new ATOM 0 HA2 GLY A 51 5.970 11.275 -7.376 1.00 41.32 H new ATOM 0 HA3 GLY A 51 6.820 11.357 -5.846 1.00 41.32 H new ATOM 773 N ASP A 52 3.634 10.710 -6.381 1.00 2.31 N ATOM 774 CA ASP A 52 2.473 10.006 -5.849 1.00 5.23 C ATOM 775 C ASP A 52 2.083 8.840 -6.752 1.00 22.02 C ATOM 776 O ASP A 52 1.428 9.028 -7.777 1.00 31.20 O ATOM 777 CB ASP A 52 1.292 10.967 -5.698 1.00 43.42 C ATOM 778 CG ASP A 52 0.845 11.111 -4.257 1.00 11.25 C ATOM 779 OD1 ASP A 52 -0.380 11.160 -4.018 1.00 5.01 O ATOM 780 OD2 ASP A 52 1.719 11.176 -3.368 1.00 32.00 O ATOM 0 H ASP A 52 3.510 11.074 -7.326 1.00 2.31 H new ATOM 0 HA ASP A 52 2.737 9.610 -4.868 1.00 5.23 H new ATOM 0 HB2 ASP A 52 1.571 11.946 -6.088 1.00 43.42 H new ATOM 0 HB3 ASP A 52 0.457 10.610 -6.301 1.00 43.42 H new ATOM 785 N ILE A 53 2.492 7.636 -6.364 1.00 53.34 N ATOM 786 CA ILE A 53 2.185 6.440 -7.139 1.00 11.05 C ATOM 787 C ILE A 53 1.232 5.523 -6.380 1.00 0.30 C ATOM 788 O ILE A 53 1.628 4.497 -5.825 1.00 4.25 O ATOM 789 CB ILE A 53 3.463 5.656 -7.492 1.00 41.03 C ATOM 790 CG1 ILE A 53 4.429 6.541 -8.282 1.00 72.24 C ATOM 791 CG2 ILE A 53 3.113 4.405 -8.285 1.00 42.23 C ATOM 792 CD1 ILE A 53 3.911 6.930 -9.649 1.00 12.53 C ATOM 0 H ILE A 53 3.036 7.463 -5.519 1.00 53.34 H new ATOM 0 HA ILE A 53 1.707 6.774 -8.060 1.00 11.05 H new ATOM 0 HB ILE A 53 3.953 5.352 -6.567 1.00 41.03 H new ATOM 0 HG12 ILE A 53 4.632 7.445 -7.708 1.00 72.24 H new ATOM 0 HG13 ILE A 53 5.378 6.017 -8.397 1.00 72.24 H new ATOM 0 HG21 ILE A 53 4.026 3.861 -8.528 1.00 42.23 H new ATOM 0 HG22 ILE A 53 2.458 3.768 -7.690 1.00 42.23 H new ATOM 0 HG23 ILE A 53 2.604 4.689 -9.206 1.00 42.23 H new ATOM 0 HD11 ILE A 53 4.647 7.557 -10.152 1.00 12.53 H new ATOM 0 HD12 ILE A 53 3.734 6.032 -10.240 1.00 12.53 H new ATOM 0 HD13 ILE A 53 2.978 7.482 -9.541 1.00 12.53 H new ATOM 804 N PRO A 54 -0.055 5.897 -6.355 1.00 34.23 N ATOM 805 CA PRO A 54 -1.092 5.121 -5.669 1.00 25.44 C ATOM 806 C PRO A 54 -1.389 3.801 -6.372 1.00 4.33 C ATOM 807 O PRO A 54 -1.691 3.777 -7.565 1.00 2.41 O ATOM 808 CB PRO A 54 -2.315 6.039 -5.720 1.00 32.42 C ATOM 809 CG PRO A 54 -2.086 6.910 -6.907 1.00 13.24 C ATOM 810 CD PRO A 54 -0.598 7.108 -6.995 1.00 22.44 C ATOM 0 HA PRO A 54 -0.791 4.844 -4.659 1.00 25.44 H new ATOM 0 HB2 PRO A 54 -3.236 5.466 -5.822 1.00 32.42 H new ATOM 0 HB3 PRO A 54 -2.406 6.629 -4.808 1.00 32.42 H new ATOM 0 HG2 PRO A 54 -2.472 6.444 -7.813 1.00 13.24 H new ATOM 0 HG3 PRO A 54 -2.601 7.864 -6.796 1.00 13.24 H new ATOM 0 HD2 PRO A 54 -0.265 7.200 -8.029 1.00 22.44 H new ATOM 0 HD3 PRO A 54 -0.282 8.013 -6.477 1.00 22.44 H new ATOM 818 N GLU A 55 -1.300 2.705 -5.625 1.00 43.12 N ATOM 819 CA GLU A 55 -1.559 1.381 -6.179 1.00 50.40 C ATOM 820 C GLU A 55 -2.704 0.695 -5.439 1.00 20.24 C ATOM 821 O GLU A 55 -2.608 -0.477 -5.071 1.00 33.41 O ATOM 822 CB GLU A 55 -0.298 0.516 -6.103 1.00 34.22 C ATOM 823 CG GLU A 55 -0.121 -0.407 -7.296 1.00 63.31 C ATOM 824 CD GLU A 55 -1.168 -1.503 -7.345 1.00 41.14 C ATOM 825 OE1 GLU A 55 -1.987 -1.499 -8.289 1.00 11.02 O ATOM 826 OE2 GLU A 55 -1.169 -2.365 -6.442 1.00 73.43 O ATOM 0 H GLU A 55 -1.051 2.708 -4.636 1.00 43.12 H new ATOM 0 HA GLU A 55 -1.846 1.503 -7.224 1.00 50.40 H new ATOM 0 HB2 GLU A 55 0.574 1.166 -6.024 1.00 34.22 H new ATOM 0 HB3 GLU A 55 -0.333 -0.083 -5.193 1.00 34.22 H new ATOM 0 HG2 GLU A 55 -0.170 0.178 -8.214 1.00 63.31 H new ATOM 0 HG3 GLU A 55 0.871 -0.858 -7.258 1.00 63.31 H new ATOM 833 N THR A 56 -3.787 1.434 -5.222 1.00 60.22 N ATOM 834 CA THR A 56 -4.950 0.900 -4.525 1.00 22.43 C ATOM 835 C THR A 56 -6.243 1.477 -5.090 1.00 60.54 C ATOM 836 O THR A 56 -6.358 2.686 -5.296 1.00 12.20 O ATOM 837 CB THR A 56 -4.885 1.197 -3.015 1.00 72.10 C ATOM 838 OG1 THR A 56 -5.163 2.581 -2.776 1.00 11.34 O ATOM 839 CG2 THR A 56 -3.517 0.845 -2.453 1.00 3.21 C ATOM 0 H THR A 56 -3.883 2.405 -5.519 1.00 60.22 H new ATOM 0 HA THR A 56 -4.941 -0.179 -4.676 1.00 22.43 H new ATOM 0 HB THR A 56 -5.634 0.584 -2.514 1.00 72.10 H new ATOM 0 HG1 THR A 56 -4.858 2.826 -1.877 1.00 11.34 H new ATOM 0 HG21 THR A 56 -3.495 1.063 -1.385 1.00 3.21 H new ATOM 0 HG22 THR A 56 -3.321 -0.216 -2.611 1.00 3.21 H new ATOM 0 HG23 THR A 56 -2.753 1.435 -2.960 1.00 3.21 H new ATOM 847 N LEU A 57 -7.216 0.607 -5.337 1.00 41.25 N ATOM 848 CA LEU A 57 -8.502 1.030 -5.879 1.00 33.22 C ATOM 849 C LEU A 57 -9.096 2.163 -5.047 1.00 51.20 C ATOM 850 O LEU A 57 -9.822 3.012 -5.566 1.00 23.53 O ATOM 851 CB LEU A 57 -9.474 -0.150 -5.920 1.00 24.03 C ATOM 852 CG LEU A 57 -10.890 0.162 -6.408 1.00 45.40 C ATOM 853 CD1 LEU A 57 -10.872 0.563 -7.874 1.00 53.25 C ATOM 854 CD2 LEU A 57 -11.804 -1.034 -6.191 1.00 43.22 C ATOM 0 H LEU A 57 -7.139 -0.396 -5.170 1.00 41.25 H new ATOM 0 HA LEU A 57 -8.339 1.394 -6.893 1.00 33.22 H new ATOM 0 HB2 LEU A 57 -9.051 -0.921 -6.564 1.00 24.03 H new ATOM 0 HB3 LEU A 57 -9.542 -0.574 -4.918 1.00 24.03 H new ATOM 0 HG LEU A 57 -11.278 1.000 -5.828 1.00 45.40 H new ATOM 0 HD11 LEU A 57 -11.888 0.781 -8.204 1.00 53.25 H new ATOM 0 HD12 LEU A 57 -10.251 1.450 -8.001 1.00 53.25 H new ATOM 0 HD13 LEU A 57 -10.465 -0.254 -8.470 1.00 53.25 H new ATOM 0 HD21 LEU A 57 -12.807 -0.794 -6.544 1.00 43.22 H new ATOM 0 HD22 LEU A 57 -11.420 -1.891 -6.745 1.00 43.22 H new ATOM 0 HD23 LEU A 57 -11.841 -1.276 -5.129 1.00 43.22 H new ATOM 866 N ASP A 58 -8.779 2.172 -3.757 1.00 60.13 N ATOM 867 CA ASP A 58 -9.278 3.203 -2.854 1.00 73.21 C ATOM 868 C ASP A 58 -8.657 4.557 -3.180 1.00 11.33 C ATOM 869 O ASP A 58 -9.324 5.589 -3.114 1.00 15.11 O ATOM 870 CB ASP A 58 -8.982 2.827 -1.402 1.00 52.33 C ATOM 871 CG ASP A 58 -9.972 1.821 -0.850 1.00 74.53 C ATOM 872 OD1 ASP A 58 -9.534 0.749 -0.384 1.00 10.35 O ATOM 873 OD2 ASP A 58 -11.188 2.108 -0.884 1.00 23.31 O ATOM 0 H ASP A 58 -8.179 1.477 -3.313 1.00 60.13 H new ATOM 0 HA ASP A 58 -10.357 3.277 -2.988 1.00 73.21 H new ATOM 0 HB2 ASP A 58 -7.975 2.415 -1.335 1.00 52.33 H new ATOM 0 HB3 ASP A 58 -9.001 3.726 -0.786 1.00 52.33 H new ATOM 878 N GLN A 59 -7.374 4.545 -3.529 1.00 53.03 N ATOM 879 CA GLN A 59 -6.662 5.774 -3.863 1.00 22.40 C ATOM 880 C GLN A 59 -7.079 6.288 -5.237 1.00 1.45 C ATOM 881 O GLN A 59 -7.524 7.429 -5.375 1.00 25.14 O ATOM 882 CB GLN A 59 -5.151 5.537 -3.829 1.00 64.15 C ATOM 883 CG GLN A 59 -4.508 5.891 -2.498 1.00 71.32 C ATOM 884 CD GLN A 59 -3.631 4.779 -1.959 1.00 45.15 C ATOM 885 OE1 GLN A 59 -3.998 4.090 -1.007 1.00 64.24 O ATOM 886 NE2 GLN A 59 -2.465 4.596 -2.567 1.00 43.13 N ATOM 0 H GLN A 59 -6.807 3.699 -3.588 1.00 53.03 H new ATOM 0 HA GLN A 59 -6.921 6.529 -3.120 1.00 22.40 H new ATOM 0 HB2 GLN A 59 -4.951 4.489 -4.052 1.00 64.15 H new ATOM 0 HB3 GLN A 59 -4.682 6.126 -4.617 1.00 64.15 H new ATOM 0 HG2 GLN A 59 -3.910 6.795 -2.617 1.00 71.32 H new ATOM 0 HG3 GLN A 59 -5.288 6.118 -1.771 1.00 71.32 H new ATOM 0 HE21 GLN A 59 -2.201 5.190 -3.353 1.00 43.13 H new ATOM 0 HE22 GLN A 59 -1.834 3.861 -2.248 1.00 43.13 H new ATOM 895 N LEU A 60 -6.929 5.442 -6.249 1.00 52.11 N ATOM 896 CA LEU A 60 -7.289 5.812 -7.614 1.00 33.41 C ATOM 897 C LEU A 60 -8.721 6.335 -7.677 1.00 73.10 C ATOM 898 O LEU A 60 -9.022 7.259 -8.433 1.00 74.22 O ATOM 899 CB LEU A 60 -7.133 4.610 -8.547 1.00 41.53 C ATOM 900 CG LEU A 60 -5.716 4.331 -9.051 1.00 30.13 C ATOM 901 CD1 LEU A 60 -5.188 5.515 -9.845 1.00 73.50 C ATOM 902 CD2 LEU A 60 -4.790 4.012 -7.886 1.00 34.02 C ATOM 0 H LEU A 60 -6.561 4.496 -6.151 1.00 52.11 H new ATOM 0 HA LEU A 60 -6.616 6.606 -7.938 1.00 33.41 H new ATOM 0 HB2 LEU A 60 -7.493 3.722 -8.027 1.00 41.53 H new ATOM 0 HB3 LEU A 60 -7.781 4.759 -9.410 1.00 41.53 H new ATOM 0 HG LEU A 60 -5.750 3.464 -9.711 1.00 30.13 H new ATOM 0 HD11 LEU A 60 -4.179 5.297 -10.195 1.00 73.50 H new ATOM 0 HD12 LEU A 60 -5.838 5.698 -10.701 1.00 73.50 H new ATOM 0 HD13 LEU A 60 -5.168 6.400 -9.209 1.00 73.50 H new ATOM 0 HD21 LEU A 60 -3.786 3.816 -8.262 1.00 34.02 H new ATOM 0 HD22 LEU A 60 -4.762 4.859 -7.201 1.00 34.02 H new ATOM 0 HD23 LEU A 60 -5.158 3.132 -7.359 1.00 34.02 H new ATOM 914 N ARG A 61 -9.599 5.742 -6.875 1.00 2.34 N ATOM 915 CA ARG A 61 -10.997 6.149 -6.838 1.00 70.44 C ATOM 916 C ARG A 61 -11.144 7.540 -6.228 1.00 43.42 C ATOM 917 O ARG A 61 -11.726 8.439 -6.836 1.00 50.25 O ATOM 918 CB ARG A 61 -11.824 5.140 -6.038 1.00 13.14 C ATOM 919 CG ARG A 61 -13.258 5.581 -5.799 1.00 71.30 C ATOM 920 CD ARG A 61 -14.169 4.393 -5.532 1.00 72.12 C ATOM 921 NE ARG A 61 -14.511 4.271 -4.118 1.00 33.05 N ATOM 922 CZ ARG A 61 -15.256 3.289 -3.624 1.00 32.20 C ATOM 923 NH1 ARG A 61 -15.736 2.349 -4.425 1.00 42.32 N ATOM 924 NH2 ARG A 61 -15.523 3.247 -2.324 1.00 44.31 N ATOM 0 H ARG A 61 -9.366 4.977 -6.242 1.00 2.34 H new ATOM 0 HA ARG A 61 -11.366 6.180 -7.863 1.00 70.44 H new ATOM 0 HB2 ARG A 61 -11.829 4.187 -6.567 1.00 13.14 H new ATOM 0 HB3 ARG A 61 -11.341 4.968 -5.076 1.00 13.14 H new ATOM 0 HG2 ARG A 61 -13.293 6.265 -4.951 1.00 71.30 H new ATOM 0 HG3 ARG A 61 -13.620 6.131 -6.668 1.00 71.30 H new ATOM 0 HD2 ARG A 61 -15.082 4.498 -6.118 1.00 72.12 H new ATOM 0 HD3 ARG A 61 -13.679 3.479 -5.866 1.00 72.12 H new ATOM 0 HE ARG A 61 -14.158 4.979 -3.474 1.00 33.05 H new ATOM 0 HH11 ARG A 61 -15.534 2.378 -5.424 1.00 42.32 H new ATOM 0 HH12 ARG A 61 -16.308 1.596 -4.042 1.00 42.32 H new ATOM 0 HH21 ARG A 61 -15.156 3.969 -1.704 1.00 44.31 H new ATOM 0 HH22 ARG A 61 -16.095 2.493 -1.945 1.00 44.31 H new ATOM 938 N LEU A 62 -10.611 7.711 -5.023 1.00 4.34 N ATOM 939 CA LEU A 62 -10.682 8.992 -4.329 1.00 52.12 C ATOM 940 C LEU A 62 -10.104 10.110 -5.192 1.00 73.41 C ATOM 941 O LEU A 62 -10.618 11.229 -5.203 1.00 63.13 O ATOM 942 CB LEU A 62 -9.929 8.917 -3.000 1.00 31.21 C ATOM 943 CG LEU A 62 -10.789 8.984 -1.737 1.00 53.32 C ATOM 944 CD1 LEU A 62 -11.408 10.365 -1.586 1.00 52.20 C ATOM 945 CD2 LEU A 62 -11.870 7.914 -1.772 1.00 25.44 C ATOM 0 H LEU A 62 -10.125 6.978 -4.506 1.00 4.34 H new ATOM 0 HA LEU A 62 -11.731 9.214 -4.133 1.00 52.12 H new ATOM 0 HB2 LEU A 62 -9.360 7.987 -2.979 1.00 31.21 H new ATOM 0 HB3 LEU A 62 -9.207 9.733 -2.968 1.00 31.21 H new ATOM 0 HG LEU A 62 -10.150 8.799 -0.874 1.00 53.32 H new ATOM 0 HD11 LEU A 62 -12.016 10.394 -0.682 1.00 52.20 H new ATOM 0 HD12 LEU A 62 -10.618 11.112 -1.516 1.00 52.20 H new ATOM 0 HD13 LEU A 62 -12.034 10.580 -2.452 1.00 52.20 H new ATOM 0 HD21 LEU A 62 -12.473 7.976 -0.866 1.00 25.44 H new ATOM 0 HD22 LEU A 62 -12.507 8.069 -2.643 1.00 25.44 H new ATOM 0 HD23 LEU A 62 -11.406 6.930 -1.832 1.00 25.44 H new ATOM 957 N VAL A 63 -9.032 9.799 -5.914 1.00 74.12 N ATOM 958 CA VAL A 63 -8.387 10.777 -6.783 1.00 10.14 C ATOM 959 C VAL A 63 -9.323 11.221 -7.901 1.00 54.40 C ATOM 960 O VAL A 63 -9.553 12.415 -8.093 1.00 12.14 O ATOM 961 CB VAL A 63 -7.096 10.210 -7.403 1.00 53.31 C ATOM 962 CG1 VAL A 63 -6.457 11.230 -8.332 1.00 11.53 C ATOM 963 CG2 VAL A 63 -6.123 9.786 -6.313 1.00 42.31 C ATOM 0 H VAL A 63 -8.592 8.879 -5.915 1.00 74.12 H new ATOM 0 HA VAL A 63 -8.136 11.637 -6.162 1.00 10.14 H new ATOM 0 HB VAL A 63 -7.353 9.329 -7.991 1.00 53.31 H new ATOM 0 HG11 VAL A 63 -5.546 10.812 -8.760 1.00 11.53 H new ATOM 0 HG12 VAL A 63 -7.153 11.479 -9.133 1.00 11.53 H new ATOM 0 HG13 VAL A 63 -6.213 12.131 -7.770 1.00 11.53 H new ATOM 0 HG21 VAL A 63 -5.217 9.388 -6.769 1.00 42.31 H new ATOM 0 HG22 VAL A 63 -5.870 10.648 -5.696 1.00 42.31 H new ATOM 0 HG23 VAL A 63 -6.584 9.018 -5.692 1.00 42.31 H new ATOM 973 N ILE A 64 -9.858 10.253 -8.637 1.00 21.34 N ATOM 974 CA ILE A 64 -10.771 10.545 -9.735 1.00 13.52 C ATOM 975 C ILE A 64 -11.943 11.400 -9.264 1.00 50.45 C ATOM 976 O ILE A 64 -12.474 12.214 -10.021 1.00 31.51 O ATOM 977 CB ILE A 64 -11.315 9.254 -10.373 1.00 4.11 C ATOM 978 CG1 ILE A 64 -10.165 8.404 -10.918 1.00 24.01 C ATOM 979 CG2 ILE A 64 -12.305 9.586 -11.479 1.00 22.20 C ATOM 980 CD1 ILE A 64 -10.461 6.921 -10.928 1.00 33.51 C ATOM 0 H ILE A 64 -9.675 9.260 -8.493 1.00 21.34 H new ATOM 0 HA ILE A 64 -10.200 11.097 -10.482 1.00 13.52 H new ATOM 0 HB ILE A 64 -11.835 8.679 -9.607 1.00 4.11 H new ATOM 0 HG12 ILE A 64 -9.935 8.727 -11.933 1.00 24.01 H new ATOM 0 HG13 ILE A 64 -9.274 8.584 -10.316 1.00 24.01 H new ATOM 0 HG21 ILE A 64 -12.681 8.663 -11.920 1.00 22.20 H new ATOM 0 HG22 ILE A 64 -13.137 10.155 -11.064 1.00 22.20 H new ATOM 0 HG23 ILE A 64 -11.808 10.179 -12.247 1.00 22.20 H new ATOM 0 HD11 ILE A 64 -9.602 6.381 -11.327 1.00 33.51 H new ATOM 0 HD12 ILE A 64 -10.662 6.583 -9.911 1.00 33.51 H new ATOM 0 HD13 ILE A 64 -11.333 6.728 -11.553 1.00 33.51 H new ATOM 992 N CYS A 65 -12.341 11.210 -8.011 1.00 44.42 N ATOM 993 CA CYS A 65 -13.450 11.964 -7.438 1.00 24.00 C ATOM 994 C CYS A 65 -13.055 13.418 -7.205 1.00 72.13 C ATOM 995 O CYS A 65 -13.641 14.331 -7.789 1.00 21.14 O ATOM 996 CB CYS A 65 -13.899 11.328 -6.121 1.00 75.35 C ATOM 997 SG CYS A 65 -15.607 10.735 -6.134 1.00 72.32 S ATOM 0 H CYS A 65 -11.912 10.540 -7.372 1.00 44.42 H new ATOM 0 HA CYS A 65 -14.278 11.940 -8.146 1.00 24.00 H new ATOM 0 HB2 CYS A 65 -13.237 10.493 -5.889 1.00 75.35 H new ATOM 0 HB3 CYS A 65 -13.785 12.058 -5.320 1.00 75.35 H new ATOM 0 HG CYS A 65 -15.894 10.212 -4.979 1.00 72.32 H new ATOM 1003 N ASP A 66 -12.062 13.627 -6.350 1.00 2.14 N ATOM 1004 CA ASP A 66 -11.589 14.971 -6.039 1.00 30.22 C ATOM 1005 C ASP A 66 -11.170 15.707 -7.308 1.00 41.21 C ATOM 1006 O ASP A 66 -11.537 16.863 -7.519 1.00 34.42 O ATOM 1007 CB ASP A 66 -10.416 14.910 -5.060 1.00 22.34 C ATOM 1008 CG ASP A 66 -10.823 15.275 -3.646 1.00 41.32 C ATOM 1009 OD1 ASP A 66 -11.404 14.413 -2.954 1.00 21.14 O ATOM 1010 OD2 ASP A 66 -10.558 16.423 -3.231 1.00 1.10 O ATOM 0 H ASP A 66 -11.568 12.882 -5.859 1.00 2.14 H new ATOM 0 HA ASP A 66 -12.410 15.519 -5.576 1.00 30.22 H new ATOM 0 HB2 ASP A 66 -9.994 13.905 -5.066 1.00 22.34 H new ATOM 0 HB3 ASP A 66 -9.631 15.588 -5.395 1.00 22.34 H new ATOM 1015 N LEU A 67 -10.398 15.029 -8.152 1.00 31.43 N ATOM 1016 CA LEU A 67 -9.928 15.617 -9.400 1.00 32.11 C ATOM 1017 C LEU A 67 -11.100 16.097 -10.252 1.00 3.34 C ATOM 1018 O LEU A 67 -11.083 17.212 -10.773 1.00 62.14 O ATOM 1019 CB LEU A 67 -9.095 14.602 -10.183 1.00 72.24 C ATOM 1020 CG LEU A 67 -8.051 15.183 -11.138 1.00 41.42 C ATOM 1021 CD1 LEU A 67 -8.724 15.989 -12.238 1.00 34.10 C ATOM 1022 CD2 LEU A 67 -7.053 16.044 -10.377 1.00 70.22 C ATOM 0 H LEU A 67 -10.085 14.071 -7.993 1.00 31.43 H new ATOM 0 HA LEU A 67 -9.305 16.477 -9.155 1.00 32.11 H new ATOM 0 HB2 LEU A 67 -8.585 13.954 -9.470 1.00 72.24 H new ATOM 0 HB3 LEU A 67 -9.773 13.972 -10.758 1.00 72.24 H new ATOM 0 HG LEU A 67 -7.510 14.358 -11.600 1.00 41.42 H new ATOM 0 HD11 LEU A 67 -7.966 16.395 -12.908 1.00 34.10 H new ATOM 0 HD12 LEU A 67 -9.398 15.344 -12.801 1.00 34.10 H new ATOM 0 HD13 LEU A 67 -9.291 16.807 -11.794 1.00 34.10 H new ATOM 0 HD21 LEU A 67 -6.318 16.449 -11.072 1.00 70.22 H new ATOM 0 HD22 LEU A 67 -7.579 16.863 -9.887 1.00 70.22 H new ATOM 0 HD23 LEU A 67 -6.547 15.437 -9.626 1.00 70.22 H new ATOM 1034 N GLN A 68 -12.113 15.249 -10.385 1.00 24.14 N ATOM 1035 CA GLN A 68 -13.293 15.586 -11.172 1.00 73.24 C ATOM 1036 C GLN A 68 -13.921 16.887 -10.681 1.00 11.43 C ATOM 1037 O GLN A 68 -14.280 17.753 -11.479 1.00 2.02 O ATOM 1038 CB GLN A 68 -14.320 14.455 -11.103 1.00 44.33 C ATOM 1039 CG GLN A 68 -15.662 14.812 -11.721 1.00 40.01 C ATOM 1040 CD GLN A 68 -16.405 13.599 -12.245 1.00 40.41 C ATOM 1041 OE1 GLN A 68 -16.706 13.507 -13.435 1.00 65.23 O ATOM 1042 NE2 GLN A 68 -16.704 12.658 -11.356 1.00 0.21 N ATOM 0 H GLN A 68 -12.141 14.323 -9.958 1.00 24.14 H new ATOM 0 HA GLN A 68 -12.980 15.721 -12.207 1.00 73.24 H new ATOM 0 HB2 GLN A 68 -13.917 13.579 -11.611 1.00 44.33 H new ATOM 0 HB3 GLN A 68 -14.472 14.177 -10.060 1.00 44.33 H new ATOM 0 HG2 GLN A 68 -16.278 15.317 -10.976 1.00 40.01 H new ATOM 0 HG3 GLN A 68 -15.506 15.518 -12.537 1.00 40.01 H new ATOM 0 HE21 GLN A 68 -16.435 12.775 -10.379 1.00 0.21 H new ATOM 0 HE22 GLN A 68 -17.202 11.818 -11.650 1.00 0.21 H new ATOM 1051 N GLU A 69 -14.048 17.018 -9.364 1.00 51.21 N ATOM 1052 CA GLU A 69 -14.632 18.214 -8.769 1.00 24.42 C ATOM 1053 C GLU A 69 -13.858 19.462 -9.183 1.00 61.11 C ATOM 1054 O GLU A 69 -14.446 20.462 -9.595 1.00 25.31 O ATOM 1055 CB GLU A 69 -14.651 18.093 -7.244 1.00 14.53 C ATOM 1056 CG GLU A 69 -15.965 17.572 -6.689 1.00 63.23 C ATOM 1057 CD GLU A 69 -17.150 18.425 -7.098 1.00 72.21 C ATOM 1058 OE1 GLU A 69 -17.117 19.647 -6.839 1.00 63.33 O ATOM 1059 OE2 GLU A 69 -18.109 17.873 -7.675 1.00 24.42 O ATOM 0 H GLU A 69 -13.755 16.311 -8.690 1.00 51.21 H new ATOM 0 HA GLU A 69 -15.656 18.307 -9.132 1.00 24.42 H new ATOM 0 HB2 GLU A 69 -13.846 17.428 -6.931 1.00 14.53 H new ATOM 0 HB3 GLU A 69 -14.445 19.071 -6.808 1.00 14.53 H new ATOM 0 HG2 GLU A 69 -16.121 16.550 -7.034 1.00 63.23 H new ATOM 0 HG3 GLU A 69 -15.907 17.535 -5.601 1.00 63.23 H new ATOM 1066 N ARG A 70 -12.536 19.395 -9.069 1.00 53.24 N ATOM 1067 CA ARG A 70 -11.680 20.520 -9.429 1.00 75.23 C ATOM 1068 C ARG A 70 -11.715 20.769 -10.935 1.00 4.53 C ATOM 1069 O ARG A 70 -11.646 21.912 -11.387 1.00 30.42 O ATOM 1070 CB ARG A 70 -10.243 20.261 -8.977 1.00 43.41 C ATOM 1071 CG ARG A 70 -10.122 19.914 -7.502 1.00 14.52 C ATOM 1072 CD ARG A 70 -8.670 19.709 -7.095 1.00 32.23 C ATOM 1073 NE ARG A 70 -8.106 20.898 -6.462 1.00 71.03 N ATOM 1074 CZ ARG A 70 -8.442 21.312 -5.245 1.00 41.11 C ATOM 1075 NH1 ARG A 70 -9.334 20.637 -4.534 1.00 22.31 N ATOM 1076 NH2 ARG A 70 -7.884 22.404 -4.737 1.00 73.10 N ATOM 0 H ARG A 70 -12.034 18.574 -8.730 1.00 53.24 H new ATOM 0 HA ARG A 70 -12.057 21.408 -8.922 1.00 75.23 H new ATOM 0 HB2 ARG A 70 -9.826 19.446 -9.569 1.00 43.41 H new ATOM 0 HB3 ARG A 70 -9.641 21.146 -9.184 1.00 43.41 H new ATOM 0 HG2 ARG A 70 -10.560 20.712 -6.902 1.00 14.52 H new ATOM 0 HG3 ARG A 70 -10.691 19.008 -7.292 1.00 14.52 H new ATOM 0 HD2 ARG A 70 -8.602 18.866 -6.408 1.00 32.23 H new ATOM 0 HD3 ARG A 70 -8.080 19.452 -7.975 1.00 32.23 H new ATOM 0 HE ARG A 70 -7.417 21.440 -6.983 1.00 71.03 H new ATOM 0 HH11 ARG A 70 -9.765 19.797 -4.921 1.00 22.31 H new ATOM 0 HH12 ARG A 70 -9.590 20.957 -3.600 1.00 22.31 H new ATOM 0 HH21 ARG A 70 -7.197 22.926 -5.281 1.00 73.10 H new ATOM 0 HH22 ARG A 70 -8.142 22.721 -3.803 1.00 73.10 H new ATOM 1090 N ARG A 71 -11.821 19.691 -11.705 1.00 44.30 N ATOM 1091 CA ARG A 71 -11.862 19.791 -13.159 1.00 11.22 C ATOM 1092 C ARG A 71 -13.019 20.677 -13.610 1.00 31.22 C ATOM 1093 O ARG A 71 -12.844 21.570 -14.437 1.00 14.14 O ATOM 1094 CB ARG A 71 -11.994 18.402 -13.784 1.00 62.21 C ATOM 1095 CG ARG A 71 -12.024 18.418 -15.304 1.00 11.43 C ATOM 1096 CD ARG A 71 -13.450 18.411 -15.833 1.00 51.34 C ATOM 1097 NE ARG A 71 -13.736 17.213 -16.617 1.00 63.22 N ATOM 1098 CZ ARG A 71 -14.962 16.838 -16.967 1.00 11.34 C ATOM 1099 NH1 ARG A 71 -16.009 17.567 -16.604 1.00 63.32 N ATOM 1100 NH2 ARG A 71 -15.142 15.735 -17.681 1.00 65.42 N ATOM 0 H ARG A 71 -11.880 18.738 -11.346 1.00 44.30 H new ATOM 0 HA ARG A 71 -10.929 20.244 -13.494 1.00 11.22 H new ATOM 0 HB2 ARG A 71 -11.161 17.783 -13.452 1.00 62.21 H new ATOM 0 HB3 ARG A 71 -12.906 17.933 -13.416 1.00 62.21 H new ATOM 0 HG2 ARG A 71 -11.503 19.303 -15.670 1.00 11.43 H new ATOM 0 HG3 ARG A 71 -11.488 17.551 -15.689 1.00 11.43 H new ATOM 0 HD2 ARG A 71 -14.147 18.472 -14.997 1.00 51.34 H new ATOM 0 HD3 ARG A 71 -13.613 19.295 -16.449 1.00 51.34 H new ATOM 0 HE ARG A 71 -12.952 16.632 -16.912 1.00 63.22 H new ATOM 0 HH11 ARG A 71 -15.874 18.416 -16.056 1.00 63.32 H new ATOM 0 HH12 ARG A 71 -16.949 17.278 -16.873 1.00 63.32 H new ATOM 0 HH21 ARG A 71 -14.339 15.173 -17.962 1.00 65.42 H new ATOM 0 HH22 ARG A 71 -16.084 15.449 -17.949 1.00 65.42 H new ATOM 1114 N GLU A 72 -14.202 20.421 -13.060 1.00 70.00 N ATOM 1115 CA GLU A 72 -15.389 21.195 -13.407 1.00 4.33 C ATOM 1116 C GLU A 72 -15.252 22.640 -12.939 1.00 71.02 C ATOM 1117 O GLU A 72 -15.393 23.576 -13.727 1.00 15.31 O ATOM 1118 CB GLU A 72 -16.637 20.562 -12.787 1.00 43.15 C ATOM 1119 CG GLU A 72 -17.643 20.069 -13.813 1.00 13.12 C ATOM 1120 CD GLU A 72 -18.179 18.688 -13.489 1.00 5.24 C ATOM 1121 OE1 GLU A 72 -17.375 17.820 -13.086 1.00 33.00 O ATOM 1122 OE2 GLU A 72 -19.399 18.474 -13.637 1.00 75.31 O ATOM 0 H GLU A 72 -14.364 19.685 -12.373 1.00 70.00 H new ATOM 0 HA GLU A 72 -15.490 21.191 -14.492 1.00 4.33 H new ATOM 0 HB2 GLU A 72 -16.335 19.726 -12.156 1.00 43.15 H new ATOM 0 HB3 GLU A 72 -17.121 21.292 -12.138 1.00 43.15 H new ATOM 0 HG2 GLU A 72 -18.473 20.773 -13.869 1.00 13.12 H new ATOM 0 HG3 GLU A 72 -17.174 20.051 -14.797 1.00 13.12 H new ATOM 1129 N LYS A 73 -14.978 22.815 -11.651 1.00 13.21 N ATOM 1130 CA LYS A 73 -14.821 24.146 -11.075 1.00 55.11 C ATOM 1131 C LYS A 73 -13.729 24.927 -11.801 1.00 35.35 C ATOM 1132 O LYS A 73 -13.744 26.158 -11.822 1.00 42.33 O ATOM 1133 CB LYS A 73 -14.486 24.043 -9.586 1.00 14.14 C ATOM 1134 CG LYS A 73 -15.622 24.476 -8.676 1.00 71.43 C ATOM 1135 CD LYS A 73 -16.488 23.297 -8.265 1.00 45.23 C ATOM 1136 CE LYS A 73 -17.222 23.571 -6.961 1.00 12.00 C ATOM 1137 NZ LYS A 73 -16.310 23.500 -5.786 1.00 34.23 N ATOM 0 H LYS A 73 -14.860 22.051 -10.985 1.00 13.21 H new ATOM 0 HA LYS A 73 -15.764 24.680 -11.192 1.00 55.11 H new ATOM 0 HB2 LYS A 73 -14.218 23.013 -9.353 1.00 14.14 H new ATOM 0 HB3 LYS A 73 -13.610 24.656 -9.376 1.00 14.14 H new ATOM 0 HG2 LYS A 73 -15.214 24.956 -7.787 1.00 71.43 H new ATOM 0 HG3 LYS A 73 -16.235 25.219 -9.186 1.00 71.43 H new ATOM 0 HD2 LYS A 73 -17.211 23.083 -9.052 1.00 45.23 H new ATOM 0 HD3 LYS A 73 -15.866 22.409 -8.154 1.00 45.23 H new ATOM 0 HE2 LYS A 73 -17.683 24.558 -7.004 1.00 12.00 H new ATOM 0 HE3 LYS A 73 -18.028 22.848 -6.839 1.00 12.00 H new ATOM 0 HZ1 LYS A 73 -16.872 23.455 -4.912 1.00 34.23 H new ATOM 0 HZ2 LYS A 73 -15.715 22.650 -5.859 1.00 34.23 H new ATOM 0 HZ3 LYS A 73 -15.705 24.346 -5.765 1.00 34.23 H new ATOM 1151 N PHE A 74 -12.785 24.204 -12.393 1.00 21.22 N ATOM 1152 CA PHE A 74 -11.686 24.830 -13.119 1.00 64.25 C ATOM 1153 C PHE A 74 -12.128 25.249 -14.519 1.00 11.11 C ATOM 1154 O PHE A 74 -11.653 26.247 -15.058 1.00 54.52 O ATOM 1155 CB PHE A 74 -10.498 23.870 -13.214 1.00 42.22 C ATOM 1156 CG PHE A 74 -9.286 24.479 -13.860 1.00 40.34 C ATOM 1157 CD1 PHE A 74 -9.074 24.351 -15.223 1.00 41.20 C ATOM 1158 CD2 PHE A 74 -8.359 25.178 -13.104 1.00 35.50 C ATOM 1159 CE1 PHE A 74 -7.960 24.910 -15.822 1.00 23.33 C ATOM 1160 CE2 PHE A 74 -7.243 25.739 -13.696 1.00 74.35 C ATOM 1161 CZ PHE A 74 -7.044 25.605 -15.057 1.00 4.14 C ATOM 0 H PHE A 74 -12.759 23.184 -12.385 1.00 21.22 H new ATOM 0 HA PHE A 74 -11.382 25.721 -12.570 1.00 64.25 H new ATOM 0 HB2 PHE A 74 -10.234 23.531 -12.212 1.00 42.22 H new ATOM 0 HB3 PHE A 74 -10.798 22.988 -13.781 1.00 42.22 H new ATOM 0 HD1 PHE A 74 -9.787 23.808 -15.825 1.00 41.20 H new ATOM 0 HD2 PHE A 74 -8.510 25.286 -12.040 1.00 35.50 H new ATOM 0 HE1 PHE A 74 -7.807 24.803 -16.886 1.00 23.33 H new ATOM 0 HE2 PHE A 74 -6.527 26.281 -13.096 1.00 74.35 H new ATOM 0 HZ PHE A 74 -6.173 26.043 -15.522 1.00 4.14 H new ATOM 1171 N GLY A 75 -13.042 24.478 -15.100 1.00 50.32 N ATOM 1172 CA GLY A 75 -13.533 24.785 -16.431 1.00 72.05 C ATOM 1173 C GLY A 75 -12.878 23.933 -17.501 1.00 71.10 C ATOM 1174 O GLY A 75 -12.192 22.959 -17.194 1.00 45.42 O ATOM 0 H GLY A 75 -13.451 23.647 -14.673 1.00 50.32 H new ATOM 0 HA2 GLY A 75 -14.612 24.634 -16.461 1.00 72.05 H new ATOM 0 HA3 GLY A 75 -13.352 25.838 -16.648 1.00 72.05 H new ATOM 1178 N SER A 76 -13.093 24.300 -18.760 1.00 10.54 N ATOM 1179 CA SER A 76 -12.523 23.560 -19.880 1.00 40.12 C ATOM 1180 C SER A 76 -11.018 23.378 -19.701 1.00 51.20 C ATOM 1181 O SER A 76 -10.321 24.287 -19.253 1.00 15.20 O ATOM 1182 CB SER A 76 -12.807 24.285 -21.196 1.00 52.24 C ATOM 1183 OG SER A 76 -13.509 23.448 -22.099 1.00 5.44 O ATOM 0 H SER A 76 -13.658 25.105 -19.030 1.00 10.54 H new ATOM 0 HA SER A 76 -12.990 22.576 -19.908 1.00 40.12 H new ATOM 0 HB2 SER A 76 -13.391 25.185 -21.000 1.00 52.24 H new ATOM 0 HB3 SER A 76 -11.868 24.606 -21.648 1.00 52.24 H new ATOM 0 HG SER A 76 -13.680 23.936 -22.932 1.00 5.44 H new ATOM 1189 N SER A 77 -10.526 22.196 -20.056 1.00 5.14 N ATOM 1190 CA SER A 77 -9.105 21.891 -19.931 1.00 12.21 C ATOM 1191 C SER A 77 -8.808 20.477 -20.419 1.00 42.31 C ATOM 1192 O SER A 77 -9.011 19.502 -19.695 1.00 44.55 O ATOM 1193 CB SER A 77 -8.653 22.046 -18.477 1.00 70.15 C ATOM 1194 OG SER A 77 -7.374 21.471 -18.277 1.00 3.14 O ATOM 0 H SER A 77 -11.090 21.434 -20.432 1.00 5.14 H new ATOM 0 HA SER A 77 -8.552 22.595 -20.553 1.00 12.21 H new ATOM 0 HB2 SER A 77 -8.626 23.103 -18.212 1.00 70.15 H new ATOM 0 HB3 SER A 77 -9.377 21.570 -17.815 1.00 70.15 H new ATOM 0 HG SER A 77 -6.829 22.069 -17.724 1.00 3.14 H new ATOM 1200 N LYS A 78 -8.324 20.373 -21.653 1.00 63.53 N ATOM 1201 CA LYS A 78 -7.998 19.079 -22.240 1.00 41.22 C ATOM 1202 C LYS A 78 -6.997 18.324 -21.372 1.00 25.52 C ATOM 1203 O LYS A 78 -6.922 17.097 -21.420 1.00 23.03 O ATOM 1204 CB LYS A 78 -7.427 19.265 -23.649 1.00 22.52 C ATOM 1205 CG LYS A 78 -8.463 19.697 -24.673 1.00 23.43 C ATOM 1206 CD LYS A 78 -7.844 19.882 -26.047 1.00 73.10 C ATOM 1207 CE LYS A 78 -7.534 18.546 -26.704 1.00 2.21 C ATOM 1208 NZ LYS A 78 -6.109 18.155 -26.521 1.00 34.43 N ATOM 0 H LYS A 78 -8.149 21.170 -22.265 1.00 63.53 H new ATOM 0 HA LYS A 78 -8.916 18.494 -22.299 1.00 41.22 H new ATOM 0 HB2 LYS A 78 -6.631 20.009 -23.614 1.00 22.52 H new ATOM 0 HB3 LYS A 78 -6.974 18.329 -23.975 1.00 22.52 H new ATOM 0 HG2 LYS A 78 -9.256 18.951 -24.727 1.00 23.43 H new ATOM 0 HG3 LYS A 78 -8.926 20.630 -24.353 1.00 23.43 H new ATOM 0 HD2 LYS A 78 -8.525 20.451 -26.680 1.00 73.10 H new ATOM 0 HD3 LYS A 78 -6.928 20.466 -25.959 1.00 73.10 H new ATOM 0 HE2 LYS A 78 -8.179 17.775 -26.282 1.00 2.21 H new ATOM 0 HE3 LYS A 78 -7.761 18.604 -27.769 1.00 2.21 H new ATOM 0 HZ1 LYS A 78 -5.596 18.282 -27.417 1.00 34.43 H new ATOM 0 HZ2 LYS A 78 -5.677 18.752 -25.787 1.00 34.43 H new ATOM 0 HZ3 LYS A 78 -6.057 17.158 -26.231 1.00 34.43 H new ATOM 1222 N GLU A 79 -6.232 19.066 -20.576 1.00 40.20 N ATOM 1223 CA GLU A 79 -5.237 18.465 -19.696 1.00 31.23 C ATOM 1224 C GLU A 79 -5.908 17.723 -18.544 1.00 63.12 C ATOM 1225 O GLU A 79 -5.788 16.503 -18.423 1.00 52.42 O ATOM 1226 CB GLU A 79 -4.295 19.538 -19.147 1.00 22.52 C ATOM 1227 CG GLU A 79 -3.499 20.257 -20.221 1.00 51.32 C ATOM 1228 CD GLU A 79 -2.960 19.313 -21.279 1.00 61.02 C ATOM 1229 OE1 GLU A 79 -1.751 19.003 -21.237 1.00 22.32 O ATOM 1230 OE2 GLU A 79 -3.747 18.884 -22.149 1.00 21.52 O ATOM 0 H GLU A 79 -6.283 20.083 -20.523 1.00 40.20 H new ATOM 0 HA GLU A 79 -4.658 17.748 -20.279 1.00 31.23 H new ATOM 0 HB2 GLU A 79 -4.878 20.270 -18.588 1.00 22.52 H new ATOM 0 HB3 GLU A 79 -3.603 19.076 -18.442 1.00 22.52 H new ATOM 0 HG2 GLU A 79 -4.132 21.006 -20.697 1.00 51.32 H new ATOM 0 HG3 GLU A 79 -2.668 20.789 -19.757 1.00 51.32 H new ATOM 1237 N ILE A 80 -6.613 18.467 -17.699 1.00 61.32 N ATOM 1238 CA ILE A 80 -7.304 17.880 -16.557 1.00 44.13 C ATOM 1239 C ILE A 80 -8.174 16.704 -16.986 1.00 64.52 C ATOM 1240 O ILE A 80 -8.354 15.745 -16.235 1.00 71.32 O ATOM 1241 CB ILE A 80 -8.183 18.919 -15.836 1.00 40.31 C ATOM 1242 CG1 ILE A 80 -7.335 20.106 -15.378 1.00 15.45 C ATOM 1243 CG2 ILE A 80 -8.893 18.281 -14.652 1.00 63.13 C ATOM 1244 CD1 ILE A 80 -8.134 21.191 -14.691 1.00 35.53 C ATOM 0 H ILE A 80 -6.721 19.478 -17.783 1.00 61.32 H new ATOM 0 HA ILE A 80 -6.535 17.528 -15.870 1.00 44.13 H new ATOM 0 HB ILE A 80 -8.937 19.283 -16.534 1.00 40.31 H new ATOM 0 HG12 ILE A 80 -6.562 19.749 -14.697 1.00 15.45 H new ATOM 0 HG13 ILE A 80 -6.826 20.533 -16.242 1.00 15.45 H new ATOM 0 HG21 ILE A 80 -9.510 19.028 -14.152 1.00 63.13 H new ATOM 0 HG22 ILE A 80 -9.524 17.464 -15.003 1.00 63.13 H new ATOM 0 HG23 ILE A 80 -8.154 17.893 -13.951 1.00 63.13 H new ATOM 0 HD11 ILE A 80 -7.468 22.001 -14.394 1.00 35.53 H new ATOM 0 HD12 ILE A 80 -8.889 21.576 -15.376 1.00 35.53 H new ATOM 0 HD13 ILE A 80 -8.622 20.779 -13.807 1.00 35.53 H new ATOM 1256 N ASP A 81 -8.711 16.784 -18.200 1.00 23.15 N ATOM 1257 CA ASP A 81 -9.561 15.724 -18.730 1.00 31.01 C ATOM 1258 C ASP A 81 -8.745 14.469 -19.023 1.00 61.33 C ATOM 1259 O ASP A 81 -9.163 13.357 -18.700 1.00 60.34 O ATOM 1260 CB ASP A 81 -10.267 16.197 -20.003 1.00 31.34 C ATOM 1261 CG ASP A 81 -11.624 15.547 -20.187 1.00 54.41 C ATOM 1262 OD1 ASP A 81 -11.847 14.463 -19.608 1.00 43.34 O ATOM 1263 OD2 ASP A 81 -12.464 16.123 -20.910 1.00 5.25 O ATOM 0 H ASP A 81 -8.573 17.571 -18.834 1.00 23.15 H new ATOM 0 HA ASP A 81 -10.310 15.481 -17.976 1.00 31.01 H new ATOM 0 HB2 ASP A 81 -10.388 17.280 -19.967 1.00 31.34 H new ATOM 0 HB3 ASP A 81 -9.640 15.974 -20.867 1.00 31.34 H new ATOM 1268 N MET A 82 -7.582 14.655 -19.637 1.00 0.04 N ATOM 1269 CA MET A 82 -6.708 13.537 -19.973 1.00 24.15 C ATOM 1270 C MET A 82 -6.145 12.889 -18.712 1.00 11.25 C ATOM 1271 O MET A 82 -5.942 11.676 -18.664 1.00 32.24 O ATOM 1272 CB MET A 82 -5.564 14.008 -20.873 1.00 75.35 C ATOM 1273 CG MET A 82 -5.254 13.050 -22.012 1.00 22.04 C ATOM 1274 SD MET A 82 -3.483 12.803 -22.248 1.00 24.11 S ATOM 1275 CE MET A 82 -2.990 14.422 -22.833 1.00 53.25 C ATOM 0 H MET A 82 -7.223 15.569 -19.912 1.00 0.04 H new ATOM 0 HA MET A 82 -7.299 12.794 -20.509 1.00 24.15 H new ATOM 0 HB2 MET A 82 -5.817 14.984 -21.288 1.00 75.35 H new ATOM 0 HB3 MET A 82 -4.668 14.142 -20.267 1.00 75.35 H new ATOM 0 HG2 MET A 82 -5.728 12.089 -21.813 1.00 22.04 H new ATOM 0 HG3 MET A 82 -5.690 13.435 -22.934 1.00 22.04 H new ATOM 0 HE1 MET A 82 -1.917 14.429 -23.024 1.00 53.25 H new ATOM 0 HE2 MET A 82 -3.524 14.654 -23.754 1.00 53.25 H new ATOM 0 HE3 MET A 82 -3.229 15.170 -22.077 1.00 53.25 H new ATOM 1285 N ALA A 83 -5.893 13.706 -17.694 1.00 54.00 N ATOM 1286 CA ALA A 83 -5.354 13.212 -16.433 1.00 74.32 C ATOM 1287 C ALA A 83 -6.329 12.255 -15.757 1.00 72.42 C ATOM 1288 O ALA A 83 -5.995 11.102 -15.486 1.00 70.53 O ATOM 1289 CB ALA A 83 -5.025 14.375 -15.508 1.00 11.50 C ATOM 0 H ALA A 83 -6.054 14.713 -17.718 1.00 54.00 H new ATOM 0 HA ALA A 83 -4.437 12.663 -16.648 1.00 74.32 H new ATOM 0 HB1 ALA A 83 -4.623 13.992 -14.570 1.00 11.50 H new ATOM 0 HB2 ALA A 83 -4.285 15.020 -15.983 1.00 11.50 H new ATOM 0 HB3 ALA A 83 -5.930 14.948 -15.308 1.00 11.50 H new ATOM 1295 N ILE A 84 -7.536 12.742 -15.486 1.00 2.01 N ATOM 1296 CA ILE A 84 -8.560 11.929 -14.841 1.00 51.01 C ATOM 1297 C ILE A 84 -8.816 10.645 -15.623 1.00 75.42 C ATOM 1298 O ILE A 84 -8.962 9.570 -15.042 1.00 70.22 O ATOM 1299 CB ILE A 84 -9.884 12.702 -14.696 1.00 73.03 C ATOM 1300 CG1 ILE A 84 -10.966 11.797 -14.103 1.00 75.14 C ATOM 1301 CG2 ILE A 84 -10.327 13.251 -16.044 1.00 54.45 C ATOM 1302 CD1 ILE A 84 -12.007 12.546 -13.301 1.00 75.55 C ATOM 0 H ILE A 84 -7.828 13.695 -15.703 1.00 2.01 H new ATOM 0 HA ILE A 84 -8.185 11.678 -13.849 1.00 51.01 H new ATOM 0 HB ILE A 84 -9.725 13.540 -14.018 1.00 73.03 H new ATOM 0 HG12 ILE A 84 -11.460 11.258 -14.911 1.00 75.14 H new ATOM 0 HG13 ILE A 84 -10.494 11.051 -13.464 1.00 75.14 H new ATOM 0 HG21 ILE A 84 -11.264 13.795 -15.925 1.00 54.45 H new ATOM 0 HG22 ILE A 84 -9.563 13.925 -16.431 1.00 54.45 H new ATOM 0 HG23 ILE A 84 -10.472 12.427 -16.743 1.00 54.45 H new ATOM 0 HD11 ILE A 84 -12.742 11.842 -12.911 1.00 75.55 H new ATOM 0 HD12 ILE A 84 -11.525 13.063 -12.472 1.00 75.55 H new ATOM 0 HD13 ILE A 84 -12.506 13.273 -13.942 1.00 75.55 H new ATOM 1314 N VAL A 85 -8.867 10.765 -16.946 1.00 51.33 N ATOM 1315 CA VAL A 85 -9.102 9.614 -17.810 1.00 35.13 C ATOM 1316 C VAL A 85 -7.984 8.588 -17.674 1.00 4.41 C ATOM 1317 O VAL A 85 -8.212 7.383 -17.789 1.00 61.43 O ATOM 1318 CB VAL A 85 -9.221 10.035 -19.287 1.00 22.21 C ATOM 1319 CG1 VAL A 85 -9.271 8.812 -20.188 1.00 42.03 C ATOM 1320 CG2 VAL A 85 -10.448 10.910 -19.493 1.00 54.21 C ATOM 0 H VAL A 85 -8.749 11.648 -17.443 1.00 51.33 H new ATOM 0 HA VAL A 85 -10.043 9.166 -17.491 1.00 35.13 H new ATOM 0 HB VAL A 85 -8.339 10.617 -19.554 1.00 22.21 H new ATOM 0 HG11 VAL A 85 -9.355 9.129 -21.227 1.00 42.03 H new ATOM 0 HG12 VAL A 85 -8.360 8.228 -20.059 1.00 42.03 H new ATOM 0 HG13 VAL A 85 -10.134 8.201 -19.924 1.00 42.03 H new ATOM 0 HG21 VAL A 85 -10.517 11.199 -20.542 1.00 54.21 H new ATOM 0 HG22 VAL A 85 -11.342 10.355 -19.210 1.00 54.21 H new ATOM 0 HG23 VAL A 85 -10.365 11.804 -18.875 1.00 54.21 H new ATOM 1330 N THR A 86 -6.770 9.072 -17.427 1.00 2.24 N ATOM 1331 CA THR A 86 -5.615 8.197 -17.276 1.00 11.42 C ATOM 1332 C THR A 86 -5.691 7.405 -15.975 1.00 13.44 C ATOM 1333 O THR A 86 -5.492 6.189 -15.964 1.00 11.25 O ATOM 1334 CB THR A 86 -4.298 8.996 -17.300 1.00 51.10 C ATOM 1335 OG1 THR A 86 -4.127 9.620 -18.578 1.00 65.33 O ATOM 1336 CG2 THR A 86 -3.110 8.091 -17.011 1.00 21.54 C ATOM 0 H THR A 86 -6.562 10.066 -17.327 1.00 2.24 H new ATOM 0 HA THR A 86 -5.629 7.507 -18.120 1.00 11.42 H new ATOM 0 HB THR A 86 -4.349 9.761 -16.525 1.00 51.10 H new ATOM 0 HG1 THR A 86 -4.650 10.448 -18.610 1.00 65.33 H new ATOM 0 HG21 THR A 86 -2.192 8.678 -17.033 1.00 21.54 H new ATOM 0 HG22 THR A 86 -3.228 7.639 -16.026 1.00 21.54 H new ATOM 0 HG23 THR A 86 -3.058 7.307 -17.766 1.00 21.54 H new ATOM 1344 N LEU A 87 -5.980 8.101 -14.881 1.00 63.14 N ATOM 1345 CA LEU A 87 -6.084 7.462 -13.574 1.00 64.21 C ATOM 1346 C LEU A 87 -7.162 6.382 -13.579 1.00 11.14 C ATOM 1347 O LEU A 87 -7.036 5.360 -12.904 1.00 43.20 O ATOM 1348 CB LEU A 87 -6.396 8.504 -12.498 1.00 51.51 C ATOM 1349 CG LEU A 87 -5.507 9.747 -12.491 1.00 54.50 C ATOM 1350 CD1 LEU A 87 -6.312 10.977 -12.101 1.00 10.03 C ATOM 1351 CD2 LEU A 87 -4.329 9.557 -11.547 1.00 21.51 C ATOM 0 H LEU A 87 -6.146 9.107 -14.873 1.00 63.14 H new ATOM 0 HA LEU A 87 -5.126 6.992 -13.350 1.00 64.21 H new ATOM 0 HB2 LEU A 87 -7.431 8.823 -12.619 1.00 51.51 H new ATOM 0 HB3 LEU A 87 -6.322 8.023 -11.523 1.00 51.51 H new ATOM 0 HG LEU A 87 -5.118 9.897 -13.498 1.00 54.50 H new ATOM 0 HD11 LEU A 87 -5.662 11.852 -12.101 1.00 10.03 H new ATOM 0 HD12 LEU A 87 -7.120 11.125 -12.817 1.00 10.03 H new ATOM 0 HD13 LEU A 87 -6.731 10.837 -11.105 1.00 10.03 H new ATOM 0 HD21 LEU A 87 -3.708 10.453 -11.556 1.00 21.51 H new ATOM 0 HD22 LEU A 87 -4.697 9.381 -10.536 1.00 21.51 H new ATOM 0 HD23 LEU A 87 -3.737 8.701 -11.872 1.00 21.51 H new ATOM 1363 N LYS A 88 -8.222 6.615 -14.346 1.00 63.00 N ATOM 1364 CA LYS A 88 -9.321 5.662 -14.443 1.00 30.25 C ATOM 1365 C LYS A 88 -8.882 4.400 -15.178 1.00 62.34 C ATOM 1366 O LYS A 88 -8.889 3.306 -14.613 1.00 24.22 O ATOM 1367 CB LYS A 88 -10.512 6.297 -15.163 1.00 40.35 C ATOM 1368 CG LYS A 88 -11.350 7.199 -14.275 1.00 61.02 C ATOM 1369 CD LYS A 88 -11.850 8.418 -15.030 1.00 71.12 C ATOM 1370 CE LYS A 88 -13.336 8.648 -14.797 1.00 15.10 C ATOM 1371 NZ LYS A 88 -13.879 9.710 -15.689 1.00 33.13 N ATOM 0 H LYS A 88 -8.343 7.456 -14.910 1.00 63.00 H new ATOM 0 HA LYS A 88 -9.621 5.387 -13.432 1.00 30.25 H new ATOM 0 HB2 LYS A 88 -10.146 6.875 -16.012 1.00 40.35 H new ATOM 0 HB3 LYS A 88 -11.146 5.507 -15.565 1.00 40.35 H new ATOM 0 HG2 LYS A 88 -12.199 6.639 -13.884 1.00 61.02 H new ATOM 0 HG3 LYS A 88 -10.758 7.519 -13.418 1.00 61.02 H new ATOM 0 HD2 LYS A 88 -11.291 9.298 -14.713 1.00 71.12 H new ATOM 0 HD3 LYS A 88 -11.664 8.289 -16.096 1.00 71.12 H new ATOM 0 HE2 LYS A 88 -13.879 7.718 -14.967 1.00 15.10 H new ATOM 0 HE3 LYS A 88 -13.502 8.928 -13.757 1.00 15.10 H new ATOM 0 HZ1 LYS A 88 -14.386 10.417 -15.119 1.00 33.13 H new ATOM 0 HZ2 LYS A 88 -13.097 10.171 -16.196 1.00 33.13 H new ATOM 0 HZ3 LYS A 88 -14.534 9.285 -16.376 1.00 33.13 H new ATOM 1385 N VAL A 89 -8.501 4.557 -16.442 1.00 34.35 N ATOM 1386 CA VAL A 89 -8.057 3.431 -17.253 1.00 41.14 C ATOM 1387 C VAL A 89 -6.878 2.716 -16.603 1.00 72.40 C ATOM 1388 O VAL A 89 -6.779 1.489 -16.650 1.00 34.55 O ATOM 1389 CB VAL A 89 -7.651 3.884 -18.668 1.00 64.22 C ATOM 1390 CG1 VAL A 89 -6.552 4.933 -18.599 1.00 74.22 C ATOM 1391 CG2 VAL A 89 -7.209 2.691 -19.502 1.00 53.32 C ATOM 0 H VAL A 89 -8.491 5.455 -16.926 1.00 34.35 H new ATOM 0 HA VAL A 89 -8.899 2.743 -17.327 1.00 41.14 H new ATOM 0 HB VAL A 89 -8.519 4.334 -19.150 1.00 64.22 H new ATOM 0 HG11 VAL A 89 -6.279 5.241 -19.608 1.00 74.22 H new ATOM 0 HG12 VAL A 89 -6.909 5.798 -18.040 1.00 74.22 H new ATOM 0 HG13 VAL A 89 -5.679 4.513 -18.099 1.00 74.22 H new ATOM 0 HG21 VAL A 89 -6.926 3.029 -20.499 1.00 53.32 H new ATOM 0 HG22 VAL A 89 -6.355 2.210 -19.025 1.00 53.32 H new ATOM 0 HG23 VAL A 89 -8.030 1.978 -19.580 1.00 53.32 H new ATOM 1401 N PHE A 90 -5.985 3.491 -15.995 1.00 43.43 N ATOM 1402 CA PHE A 90 -4.811 2.932 -15.335 1.00 62.12 C ATOM 1403 C PHE A 90 -5.209 2.157 -14.083 1.00 30.33 C ATOM 1404 O PHE A 90 -4.719 1.055 -13.839 1.00 1.40 O ATOM 1405 CB PHE A 90 -3.827 4.045 -14.969 1.00 45.42 C ATOM 1406 CG PHE A 90 -2.451 3.543 -14.635 1.00 42.35 C ATOM 1407 CD1 PHE A 90 -1.414 3.666 -15.547 1.00 30.41 C ATOM 1408 CD2 PHE A 90 -2.195 2.947 -13.411 1.00 14.32 C ATOM 1409 CE1 PHE A 90 -0.148 3.205 -15.243 1.00 11.21 C ATOM 1410 CE2 PHE A 90 -0.930 2.485 -13.102 1.00 31.05 C ATOM 1411 CZ PHE A 90 0.095 2.614 -14.018 1.00 43.34 C ATOM 0 H PHE A 90 -6.052 4.508 -15.946 1.00 43.43 H new ATOM 0 HA PHE A 90 -4.328 2.244 -16.029 1.00 62.12 H new ATOM 0 HB2 PHE A 90 -3.757 4.746 -15.801 1.00 45.42 H new ATOM 0 HB3 PHE A 90 -4.219 4.600 -14.117 1.00 45.42 H new ATOM 0 HD1 PHE A 90 -1.598 4.127 -16.506 1.00 30.41 H new ATOM 0 HD2 PHE A 90 -2.993 2.842 -12.691 1.00 14.32 H new ATOM 0 HE1 PHE A 90 0.651 3.306 -15.962 1.00 11.21 H new ATOM 0 HE2 PHE A 90 -0.743 2.023 -12.144 1.00 31.05 H new ATOM 0 HZ PHE A 90 1.084 2.254 -13.778 1.00 43.34 H new ATOM 1421 N ALA A 91 -6.101 2.743 -13.291 1.00 65.53 N ATOM 1422 CA ALA A 91 -6.568 2.107 -12.064 1.00 13.12 C ATOM 1423 C ALA A 91 -7.100 0.706 -12.339 1.00 42.24 C ATOM 1424 O ALA A 91 -6.817 -0.235 -11.596 1.00 55.11 O ATOM 1425 CB ALA A 91 -7.639 2.962 -11.402 1.00 44.35 C ATOM 0 H ALA A 91 -6.515 3.657 -13.477 1.00 65.53 H new ATOM 0 HA ALA A 91 -5.720 2.016 -11.385 1.00 13.12 H new ATOM 0 HB1 ALA A 91 -7.979 2.476 -10.487 1.00 44.35 H new ATOM 0 HB2 ALA A 91 -7.225 3.941 -11.160 1.00 44.35 H new ATOM 0 HB3 ALA A 91 -8.481 3.082 -12.083 1.00 44.35 H new ATOM 1431 N VAL A 92 -7.874 0.572 -13.412 1.00 65.42 N ATOM 1432 CA VAL A 92 -8.446 -0.716 -13.785 1.00 52.04 C ATOM 1433 C VAL A 92 -7.431 -1.573 -14.532 1.00 44.32 C ATOM 1434 O VAL A 92 -7.390 -2.792 -14.366 1.00 13.54 O ATOM 1435 CB VAL A 92 -9.698 -0.540 -14.666 1.00 20.43 C ATOM 1436 CG1 VAL A 92 -9.349 0.196 -15.950 1.00 72.10 C ATOM 1437 CG2 VAL A 92 -10.330 -1.891 -14.970 1.00 32.13 C ATOM 0 H VAL A 92 -8.119 1.339 -14.038 1.00 65.42 H new ATOM 0 HA VAL A 92 -8.729 -1.216 -12.859 1.00 52.04 H new ATOM 0 HB VAL A 92 -10.425 0.060 -14.118 1.00 20.43 H new ATOM 0 HG11 VAL A 92 -10.246 0.311 -16.559 1.00 72.10 H new ATOM 0 HG12 VAL A 92 -8.947 1.180 -15.708 1.00 72.10 H new ATOM 0 HG13 VAL A 92 -8.604 -0.374 -16.505 1.00 72.10 H new ATOM 0 HG21 VAL A 92 -11.213 -1.748 -15.593 1.00 32.13 H new ATOM 0 HG22 VAL A 92 -9.611 -2.518 -15.497 1.00 32.13 H new ATOM 0 HG23 VAL A 92 -10.619 -2.376 -14.037 1.00 32.13 H new ATOM 1447 N ALA A 93 -6.612 -0.927 -15.356 1.00 1.31 N ATOM 1448 CA ALA A 93 -5.593 -1.630 -16.127 1.00 72.13 C ATOM 1449 C ALA A 93 -4.541 -2.247 -15.212 1.00 2.21 C ATOM 1450 O ALA A 93 -3.772 -3.112 -15.629 1.00 52.44 O ATOM 1451 CB ALA A 93 -4.940 -0.685 -17.124 1.00 33.14 C ATOM 0 H ALA A 93 -6.634 0.082 -15.507 1.00 1.31 H new ATOM 0 HA ALA A 93 -6.079 -2.438 -16.674 1.00 72.13 H new ATOM 0 HB1 ALA A 93 -4.182 -1.223 -17.692 1.00 33.14 H new ATOM 0 HB2 ALA A 93 -5.696 -0.296 -17.806 1.00 33.14 H new ATOM 0 HB3 ALA A 93 -4.474 0.142 -16.589 1.00 33.14 H new ATOM 1457 N GLY A 94 -4.510 -1.794 -13.962 1.00 64.01 N ATOM 1458 CA GLY A 94 -3.547 -2.312 -13.009 1.00 23.32 C ATOM 1459 C GLY A 94 -4.188 -3.202 -11.962 1.00 71.10 C ATOM 1460 O GLY A 94 -3.940 -4.408 -11.925 1.00 5.23 O ATOM 0 H GLY A 94 -5.135 -1.077 -13.593 1.00 64.01 H new ATOM 0 HA2 GLY A 94 -2.781 -2.876 -13.541 1.00 23.32 H new ATOM 0 HA3 GLY A 94 -3.045 -1.480 -12.516 1.00 23.32 H new ATOM 1464 N LEU A 95 -5.015 -2.608 -11.109 1.00 31.20 N ATOM 1465 CA LEU A 95 -5.693 -3.354 -10.055 1.00 3.51 C ATOM 1466 C LEU A 95 -6.529 -4.487 -10.641 1.00 42.41 C ATOM 1467 O LEU A 95 -6.663 -5.551 -10.035 1.00 62.32 O ATOM 1468 CB LEU A 95 -6.584 -2.420 -9.233 1.00 10.41 C ATOM 1469 CG LEU A 95 -5.869 -1.543 -8.206 1.00 13.42 C ATOM 1470 CD1 LEU A 95 -5.071 -2.399 -7.235 1.00 14.44 C ATOM 1471 CD2 LEU A 95 -4.963 -0.537 -8.902 1.00 52.31 C ATOM 0 H LEU A 95 -5.232 -1.612 -11.127 1.00 31.20 H new ATOM 0 HA LEU A 95 -4.933 -3.787 -9.404 1.00 3.51 H new ATOM 0 HB2 LEU A 95 -7.127 -1.771 -9.920 1.00 10.41 H new ATOM 0 HB3 LEU A 95 -7.326 -3.024 -8.711 1.00 10.41 H new ATOM 0 HG LEU A 95 -6.621 -0.994 -7.640 1.00 13.42 H new ATOM 0 HD11 LEU A 95 -4.569 -1.757 -6.511 1.00 14.44 H new ATOM 0 HD12 LEU A 95 -5.744 -3.079 -6.712 1.00 14.44 H new ATOM 0 HD13 LEU A 95 -4.328 -2.976 -7.785 1.00 14.44 H new ATOM 0 HD21 LEU A 95 -4.462 0.079 -8.155 1.00 52.31 H new ATOM 0 HD22 LEU A 95 -4.217 -1.068 -9.494 1.00 52.31 H new ATOM 0 HD23 LEU A 95 -5.560 0.099 -9.556 1.00 52.31 H new ATOM 1483 N LEU A 96 -7.086 -4.254 -11.824 1.00 35.12 N ATOM 1484 CA LEU A 96 -7.907 -5.255 -12.494 1.00 65.04 C ATOM 1485 C LEU A 96 -7.139 -5.915 -13.635 1.00 12.21 C ATOM 1486 O LEU A 96 -7.624 -6.857 -14.260 1.00 73.21 O ATOM 1487 CB LEU A 96 -9.190 -4.617 -13.031 1.00 13.10 C ATOM 1488 CG LEU A 96 -10.483 -5.000 -12.310 1.00 1.53 C ATOM 1489 CD1 LEU A 96 -10.690 -6.506 -12.351 1.00 31.23 C ATOM 1490 CD2 LEU A 96 -10.460 -4.501 -10.873 1.00 45.20 C ATOM 0 H LEU A 96 -6.984 -3.380 -12.339 1.00 35.12 H new ATOM 0 HA LEU A 96 -8.168 -6.021 -11.764 1.00 65.04 H new ATOM 0 HB2 LEU A 96 -9.080 -3.534 -12.986 1.00 13.10 H new ATOM 0 HB3 LEU A 96 -9.292 -4.883 -14.083 1.00 13.10 H new ATOM 0 HG LEU A 96 -11.318 -4.525 -12.824 1.00 1.53 H new ATOM 0 HD11 LEU A 96 -11.615 -6.760 -11.833 1.00 31.23 H new ATOM 0 HD12 LEU A 96 -10.752 -6.837 -13.388 1.00 31.23 H new ATOM 0 HD13 LEU A 96 -9.852 -7.002 -11.861 1.00 31.23 H new ATOM 0 HD21 LEU A 96 -11.388 -4.782 -10.375 1.00 45.20 H new ATOM 0 HD22 LEU A 96 -9.616 -4.947 -10.347 1.00 45.20 H new ATOM 0 HD23 LEU A 96 -10.359 -3.416 -10.866 1.00 45.20 H new ATOM 1502 N ASN A 97 -5.936 -5.414 -13.898 1.00 63.14 N ATOM 1503 CA ASN A 97 -5.099 -5.956 -14.962 1.00 51.43 C ATOM 1504 C ASN A 97 -5.872 -6.036 -16.276 1.00 24.35 C ATOM 1505 O ASN A 97 -5.615 -6.906 -17.107 1.00 25.44 O ATOM 1506 CB ASN A 97 -4.582 -7.344 -14.577 1.00 72.31 C ATOM 1507 CG ASN A 97 -4.213 -7.436 -13.109 1.00 73.13 C ATOM 1508 OD1 ASN A 97 -5.061 -7.711 -12.260 1.00 75.11 O ATOM 1509 ND2 ASN A 97 -2.942 -7.205 -12.804 1.00 44.40 N ATOM 0 H ASN A 97 -5.520 -4.634 -13.389 1.00 63.14 H new ATOM 0 HA ASN A 97 -4.251 -5.285 -15.100 1.00 51.43 H new ATOM 0 HB2 ASN A 97 -5.344 -8.089 -14.805 1.00 72.31 H new ATOM 0 HB3 ASN A 97 -3.709 -7.585 -15.184 1.00 72.31 H new ATOM 0 HD21 ASN A 97 -2.634 -7.252 -11.833 1.00 44.40 H new ATOM 0 HD22 ASN A 97 -2.273 -6.980 -13.541 1.00 44.40 H new ATOM 1516 N MET A 98 -6.819 -5.121 -16.455 1.00 61.11 N ATOM 1517 CA MET A 98 -7.628 -5.087 -17.668 1.00 32.23 C ATOM 1518 C MET A 98 -7.512 -3.732 -18.360 1.00 64.13 C ATOM 1519 O MET A 98 -8.025 -2.725 -17.869 1.00 44.23 O ATOM 1520 CB MET A 98 -9.093 -5.380 -17.337 1.00 14.34 C ATOM 1521 CG MET A 98 -9.861 -6.007 -18.489 1.00 20.41 C ATOM 1522 SD MET A 98 -9.358 -7.707 -18.815 1.00 63.42 S ATOM 1523 CE MET A 98 -10.014 -7.943 -20.465 1.00 42.20 C ATOM 0 H MET A 98 -7.045 -4.394 -15.776 1.00 61.11 H new ATOM 0 HA MET A 98 -7.255 -5.855 -18.346 1.00 32.23 H new ATOM 0 HB2 MET A 98 -9.136 -6.047 -16.476 1.00 14.34 H new ATOM 0 HB3 MET A 98 -9.584 -4.452 -17.046 1.00 14.34 H new ATOM 0 HG2 MET A 98 -10.927 -5.984 -18.265 1.00 20.41 H new ATOM 0 HG3 MET A 98 -9.712 -5.409 -19.388 1.00 20.41 H new ATOM 0 HE1 MET A 98 -9.783 -8.952 -20.808 1.00 42.20 H new ATOM 0 HE2 MET A 98 -11.095 -7.803 -20.450 1.00 42.20 H new ATOM 0 HE3 MET A 98 -9.564 -7.218 -21.143 1.00 42.20 H new ATOM 1533 N THR A 99 -6.835 -3.714 -19.504 1.00 11.05 N ATOM 1534 CA THR A 99 -6.651 -2.483 -20.263 1.00 3.52 C ATOM 1535 C THR A 99 -7.888 -2.157 -21.091 1.00 63.13 C ATOM 1536 O THR A 99 -8.132 -1.001 -21.434 1.00 33.23 O ATOM 1537 CB THR A 99 -5.431 -2.577 -21.198 1.00 51.24 C ATOM 1538 OG1 THR A 99 -5.337 -1.396 -22.003 1.00 30.50 O ATOM 1539 CG2 THR A 99 -5.530 -3.801 -22.095 1.00 42.34 C ATOM 0 H THR A 99 -6.405 -4.538 -19.925 1.00 11.05 H new ATOM 0 HA THR A 99 -6.483 -1.687 -19.538 1.00 3.52 H new ATOM 0 HB THR A 99 -4.536 -2.668 -20.582 1.00 51.24 H new ATOM 0 HG1 THR A 99 -5.359 -1.644 -22.951 1.00 30.50 H new ATOM 0 HG21 THR A 99 -4.657 -3.846 -22.746 1.00 42.34 H new ATOM 0 HG22 THR A 99 -5.571 -4.700 -21.480 1.00 42.34 H new ATOM 0 HG23 THR A 99 -6.433 -3.735 -22.702 1.00 42.34 H new ATOM 1547 N VAL A 100 -8.668 -3.186 -21.412 1.00 53.32 N ATOM 1548 CA VAL A 100 -9.882 -3.009 -22.200 1.00 11.12 C ATOM 1549 C VAL A 100 -9.552 -2.683 -23.652 1.00 43.33 C ATOM 1550 O VAL A 100 -9.776 -3.498 -24.547 1.00 42.14 O ATOM 1551 CB VAL A 100 -10.766 -1.888 -21.622 1.00 61.54 C ATOM 1552 CG1 VAL A 100 -12.166 -1.954 -22.214 1.00 43.34 C ATOM 1553 CG2 VAL A 100 -10.816 -1.978 -20.104 1.00 60.21 C ATOM 0 H VAL A 100 -8.480 -4.150 -21.138 1.00 53.32 H new ATOM 0 HA VAL A 100 -10.428 -3.951 -22.158 1.00 11.12 H new ATOM 0 HB VAL A 100 -10.327 -0.927 -21.892 1.00 61.54 H new ATOM 0 HG11 VAL A 100 -12.777 -1.155 -21.794 1.00 43.34 H new ATOM 0 HG12 VAL A 100 -12.109 -1.837 -23.296 1.00 43.34 H new ATOM 0 HG13 VAL A 100 -12.617 -2.918 -21.976 1.00 43.34 H new ATOM 0 HG21 VAL A 100 -11.445 -1.178 -19.713 1.00 60.21 H new ATOM 0 HG22 VAL A 100 -11.230 -2.942 -19.810 1.00 60.21 H new ATOM 0 HG23 VAL A 100 -9.809 -1.878 -19.700 1.00 60.21 H new ATOM 1563 N SER A 101 -9.017 -1.488 -23.878 1.00 74.21 N ATOM 1564 CA SER A 101 -8.659 -1.053 -25.224 1.00 34.03 C ATOM 1565 C SER A 101 -8.057 0.349 -25.199 1.00 65.44 C ATOM 1566 O SER A 101 -6.872 0.534 -25.475 1.00 3.25 O ATOM 1567 CB SER A 101 -9.889 -1.076 -26.134 1.00 3.22 C ATOM 1568 OG SER A 101 -11.086 -1.057 -25.375 1.00 54.24 O ATOM 0 H SER A 101 -8.822 -0.804 -23.147 1.00 74.21 H new ATOM 0 HA SER A 101 -7.913 -1.744 -25.616 1.00 34.03 H new ATOM 0 HB2 SER A 101 -9.866 -0.216 -26.804 1.00 3.22 H new ATOM 0 HB3 SER A 101 -9.866 -1.968 -26.760 1.00 3.22 H new ATOM 0 HG SER A 101 -11.857 -1.071 -25.980 1.00 54.24 H new ATOM 1574 N THR A 102 -8.884 1.335 -24.866 1.00 72.21 N ATOM 1575 CA THR A 102 -8.436 2.721 -24.806 1.00 2.41 C ATOM 1576 C THR A 102 -8.722 3.333 -23.440 1.00 12.34 C ATOM 1577 O THR A 102 -9.330 2.697 -22.580 1.00 42.12 O ATOM 1578 CB THR A 102 -9.112 3.578 -25.892 1.00 62.24 C ATOM 1579 OG1 THR A 102 -10.481 3.817 -25.546 1.00 34.53 O ATOM 1580 CG2 THR A 102 -9.040 2.891 -27.247 1.00 41.13 C ATOM 0 H THR A 102 -9.868 1.199 -24.634 1.00 72.21 H new ATOM 0 HA THR A 102 -7.360 2.712 -24.979 1.00 2.41 H new ATOM 0 HB THR A 102 -8.582 4.528 -25.955 1.00 62.24 H new ATOM 0 HG1 THR A 102 -10.934 2.961 -25.394 1.00 34.53 H new ATOM 0 HG21 THR A 102 -9.524 3.516 -27.998 1.00 41.13 H new ATOM 0 HG22 THR A 102 -7.997 2.736 -27.522 1.00 41.13 H new ATOM 0 HG23 THR A 102 -9.548 1.928 -27.194 1.00 41.13 H new ATOM 1588 N ALA A 103 -8.281 4.571 -23.247 1.00 13.34 N ATOM 1589 CA ALA A 103 -8.492 5.270 -21.986 1.00 70.32 C ATOM 1590 C ALA A 103 -9.967 5.599 -21.781 1.00 64.45 C ATOM 1591 O ALA A 103 -10.462 5.600 -20.654 1.00 53.10 O ATOM 1592 CB ALA A 103 -7.656 6.540 -21.939 1.00 15.44 C ATOM 0 H ALA A 103 -7.775 5.111 -23.949 1.00 13.34 H new ATOM 0 HA ALA A 103 -8.177 4.611 -21.177 1.00 70.32 H new ATOM 0 HB1 ALA A 103 -7.824 7.051 -20.991 1.00 15.44 H new ATOM 0 HB2 ALA A 103 -6.600 6.284 -22.031 1.00 15.44 H new ATOM 0 HB3 ALA A 103 -7.944 7.196 -22.761 1.00 15.44 H new ATOM 1598 N ALA A 104 -10.665 5.875 -22.877 1.00 71.33 N ATOM 1599 CA ALA A 104 -12.084 6.204 -22.818 1.00 25.31 C ATOM 1600 C ALA A 104 -12.922 4.963 -22.527 1.00 34.23 C ATOM 1601 O ALA A 104 -13.865 5.011 -21.736 1.00 0.42 O ATOM 1602 CB ALA A 104 -12.531 6.851 -24.119 1.00 74.15 C ATOM 0 H ALA A 104 -10.271 5.877 -23.818 1.00 71.33 H new ATOM 0 HA ALA A 104 -12.234 6.912 -22.003 1.00 25.31 H new ATOM 0 HB1 ALA A 104 -13.593 7.091 -24.060 1.00 74.15 H new ATOM 0 HB2 ALA A 104 -11.961 7.765 -24.285 1.00 74.15 H new ATOM 0 HB3 ALA A 104 -12.360 6.161 -24.946 1.00 74.15 H new ATOM 1608 N ALA A 105 -12.574 3.855 -23.171 1.00 74.14 N ATOM 1609 CA ALA A 105 -13.295 2.602 -22.981 1.00 11.55 C ATOM 1610 C ALA A 105 -13.223 2.144 -21.527 1.00 71.43 C ATOM 1611 O ALA A 105 -14.246 1.856 -20.908 1.00 24.53 O ATOM 1612 CB ALA A 105 -12.738 1.528 -23.903 1.00 5.45 C ATOM 0 H ALA A 105 -11.797 3.799 -23.829 1.00 74.14 H new ATOM 0 HA ALA A 105 -14.342 2.771 -23.231 1.00 11.55 H new ATOM 0 HB1 ALA A 105 -13.285 0.598 -23.751 1.00 5.45 H new ATOM 0 HB2 ALA A 105 -12.846 1.847 -24.940 1.00 5.45 H new ATOM 0 HB3 ALA A 105 -11.683 1.369 -23.680 1.00 5.45 H new ATOM 1618 N ALA A 106 -12.010 2.079 -20.991 1.00 4.45 N ATOM 1619 CA ALA A 106 -11.805 1.658 -19.611 1.00 63.32 C ATOM 1620 C ALA A 106 -12.443 2.641 -18.636 1.00 72.15 C ATOM 1621 O ALA A 106 -13.001 2.243 -17.614 1.00 3.31 O ATOM 1622 CB ALA A 106 -10.320 1.511 -19.317 1.00 40.34 C ATOM 0 H ALA A 106 -11.153 2.313 -21.492 1.00 4.45 H new ATOM 0 HA ALA A 106 -12.288 0.690 -19.479 1.00 63.32 H new ATOM 0 HB1 ALA A 106 -10.183 1.196 -18.282 1.00 40.34 H new ATOM 0 HB2 ALA A 106 -9.889 0.764 -19.984 1.00 40.34 H new ATOM 0 HB3 ALA A 106 -9.822 2.468 -19.474 1.00 40.34 H new ATOM 1628 N GLU A 107 -12.357 3.928 -18.960 1.00 33.44 N ATOM 1629 CA GLU A 107 -12.926 4.968 -18.111 1.00 33.25 C ATOM 1630 C GLU A 107 -14.441 4.819 -18.010 1.00 34.45 C ATOM 1631 O GLU A 107 -15.014 4.917 -16.925 1.00 62.25 O ATOM 1632 CB GLU A 107 -12.573 6.354 -18.657 1.00 64.44 C ATOM 1633 CG GLU A 107 -13.305 7.488 -17.960 1.00 25.34 C ATOM 1634 CD GLU A 107 -14.540 7.938 -18.716 1.00 64.31 C ATOM 1635 OE1 GLU A 107 -15.661 7.655 -18.241 1.00 52.24 O ATOM 1636 OE2 GLU A 107 -14.387 8.571 -19.780 1.00 41.32 O ATOM 0 H GLU A 107 -11.899 4.275 -19.803 1.00 33.44 H new ATOM 0 HA GLU A 107 -12.500 4.860 -17.113 1.00 33.25 H new ATOM 0 HB2 GLU A 107 -11.499 6.511 -18.558 1.00 64.44 H new ATOM 0 HB3 GLU A 107 -12.803 6.385 -19.722 1.00 64.44 H new ATOM 0 HG2 GLU A 107 -13.593 7.168 -16.959 1.00 25.34 H new ATOM 0 HG3 GLU A 107 -12.628 8.334 -17.842 1.00 25.34 H new ATOM 1643 N ASN A 108 -15.085 4.586 -19.149 1.00 43.01 N ATOM 1644 CA ASN A 108 -16.534 4.425 -19.190 1.00 42.33 C ATOM 1645 C ASN A 108 -16.975 3.247 -18.329 1.00 25.52 C ATOM 1646 O ASN A 108 -17.883 3.371 -17.506 1.00 4.43 O ATOM 1647 CB ASN A 108 -17.004 4.222 -20.632 1.00 50.13 C ATOM 1648 CG ASN A 108 -18.426 4.705 -20.849 1.00 40.53 C ATOM 1649 OD1 ASN A 108 -18.665 5.635 -21.621 1.00 22.55 O ATOM 1650 ND2 ASN A 108 -19.375 4.075 -20.169 1.00 4.12 N ATOM 0 H ASN A 108 -14.626 4.504 -20.056 1.00 43.01 H new ATOM 0 HA ASN A 108 -16.987 5.333 -18.791 1.00 42.33 H new ATOM 0 HB2 ASN A 108 -16.335 4.754 -21.308 1.00 50.13 H new ATOM 0 HB3 ASN A 108 -16.939 3.164 -20.887 1.00 50.13 H new ATOM 0 HD21 ASN A 108 -20.350 4.356 -20.274 1.00 4.12 H new ATOM 0 HD22 ASN A 108 -19.130 3.310 -19.541 1.00 4.12 H new ATOM 1657 N MET A 109 -16.327 2.102 -18.523 1.00 52.41 N ATOM 1658 CA MET A 109 -16.651 0.901 -17.761 1.00 72.15 C ATOM 1659 C MET A 109 -16.284 1.073 -16.291 1.00 54.31 C ATOM 1660 O MET A 109 -16.953 0.540 -15.407 1.00 60.53 O ATOM 1661 CB MET A 109 -15.920 -0.310 -18.344 1.00 14.42 C ATOM 1662 CG MET A 109 -16.751 -1.582 -18.338 1.00 71.52 C ATOM 1663 SD MET A 109 -15.757 -3.061 -18.066 1.00 73.51 S ATOM 1664 CE MET A 109 -15.445 -2.939 -16.307 1.00 22.32 C ATOM 0 H MET A 109 -15.575 1.981 -19.201 1.00 52.41 H new ATOM 0 HA MET A 109 -17.726 0.736 -17.830 1.00 72.15 H new ATOM 0 HB2 MET A 109 -15.622 -0.086 -19.368 1.00 14.42 H new ATOM 0 HB3 MET A 109 -15.006 -0.480 -17.776 1.00 14.42 H new ATOM 0 HG2 MET A 109 -17.510 -1.511 -17.559 1.00 71.52 H new ATOM 0 HG3 MET A 109 -17.277 -1.672 -19.289 1.00 71.52 H new ATOM 0 HE1 MET A 109 -14.996 -3.866 -15.952 1.00 22.32 H new ATOM 0 HE2 MET A 109 -14.765 -2.109 -16.115 1.00 22.32 H new ATOM 0 HE3 MET A 109 -16.385 -2.767 -15.782 1.00 22.32 H new ATOM 1674 N TYR A 110 -15.216 1.821 -16.037 1.00 10.31 N ATOM 1675 CA TYR A 110 -14.758 2.062 -14.674 1.00 43.30 C ATOM 1676 C TYR A 110 -15.855 2.713 -13.838 1.00 3.24 C ATOM 1677 O TYR A 110 -16.151 2.268 -12.728 1.00 75.15 O ATOM 1678 CB TYR A 110 -13.511 2.948 -14.680 1.00 74.20 C ATOM 1679 CG TYR A 110 -13.093 3.415 -13.304 1.00 54.21 C ATOM 1680 CD1 TYR A 110 -13.627 4.574 -12.751 1.00 41.51 C ATOM 1681 CD2 TYR A 110 -12.164 2.700 -12.558 1.00 75.54 C ATOM 1682 CE1 TYR A 110 -13.247 5.005 -11.495 1.00 2.14 C ATOM 1683 CE2 TYR A 110 -11.781 3.123 -11.300 1.00 74.12 C ATOM 1684 CZ TYR A 110 -12.324 4.276 -10.774 1.00 22.24 C ATOM 1685 OH TYR A 110 -11.944 4.702 -9.521 1.00 42.41 O ATOM 0 H TYR A 110 -14.651 2.271 -16.757 1.00 10.31 H new ATOM 0 HA TYR A 110 -14.508 1.100 -14.227 1.00 43.30 H new ATOM 0 HB2 TYR A 110 -12.687 2.398 -15.134 1.00 74.20 H new ATOM 0 HB3 TYR A 110 -13.697 3.819 -15.309 1.00 74.20 H new ATOM 0 HD1 TYR A 110 -14.350 5.146 -13.313 1.00 41.51 H new ATOM 0 HD2 TYR A 110 -11.734 1.798 -12.969 1.00 75.54 H new ATOM 0 HE1 TYR A 110 -13.670 5.908 -11.080 1.00 2.14 H new ATOM 0 HE2 TYR A 110 -11.060 2.554 -10.732 1.00 74.12 H new ATOM 0 HH TYR A 110 -12.738 4.803 -8.955 1.00 42.41 H new ATOM 1695 N SER A 111 -16.454 3.769 -14.378 1.00 61.03 N ATOM 1696 CA SER A 111 -17.516 4.484 -13.681 1.00 73.22 C ATOM 1697 C SER A 111 -18.846 3.750 -13.818 1.00 21.31 C ATOM 1698 O SER A 111 -19.666 3.755 -12.900 1.00 73.32 O ATOM 1699 CB SER A 111 -17.648 5.906 -14.231 1.00 10.43 C ATOM 1700 OG SER A 111 -18.157 5.897 -15.553 1.00 54.24 O ATOM 0 H SER A 111 -16.222 4.148 -15.296 1.00 61.03 H new ATOM 0 HA SER A 111 -17.254 4.532 -12.624 1.00 73.22 H new ATOM 0 HB2 SER A 111 -18.308 6.488 -13.588 1.00 10.43 H new ATOM 0 HB3 SER A 111 -16.675 6.397 -14.216 1.00 10.43 H new ATOM 0 HG SER A 111 -18.233 6.818 -15.880 1.00 54.24 H new ATOM 1706 N GLN A 112 -19.052 3.119 -14.970 1.00 10.44 N ATOM 1707 CA GLN A 112 -20.282 2.381 -15.227 1.00 4.33 C ATOM 1708 C GLN A 112 -20.452 1.241 -14.228 1.00 3.14 C ATOM 1709 O GLN A 112 -21.569 0.803 -13.956 1.00 62.25 O ATOM 1710 CB GLN A 112 -20.282 1.828 -16.654 1.00 5.44 C ATOM 1711 CG GLN A 112 -21.600 1.191 -17.059 1.00 45.12 C ATOM 1712 CD GLN A 112 -22.415 2.073 -17.983 1.00 61.25 C ATOM 1713 OE1 GLN A 112 -22.882 3.142 -17.588 1.00 13.15 O ATOM 1714 NE2 GLN A 112 -22.591 1.630 -19.223 1.00 32.43 N ATOM 0 H GLN A 112 -18.383 3.104 -15.740 1.00 10.44 H new ATOM 0 HA GLN A 112 -21.119 3.069 -15.111 1.00 4.33 H new ATOM 0 HB2 GLN A 112 -20.050 2.636 -17.348 1.00 5.44 H new ATOM 0 HB3 GLN A 112 -19.487 1.089 -16.748 1.00 5.44 H new ATOM 0 HG2 GLN A 112 -21.403 0.239 -17.552 1.00 45.12 H new ATOM 0 HG3 GLN A 112 -22.183 0.972 -16.165 1.00 45.12 H new ATOM 0 HE21 GLN A 112 -22.186 0.738 -19.508 1.00 32.43 H new ATOM 0 HE22 GLN A 112 -23.131 2.182 -19.890 1.00 32.43 H new ATOM 1723 N MET A 113 -19.336 0.765 -13.684 1.00 55.25 N ATOM 1724 CA MET A 113 -19.362 -0.322 -12.714 1.00 44.45 C ATOM 1725 C MET A 113 -19.593 0.211 -11.304 1.00 60.21 C ATOM 1726 O MET A 113 -20.072 -0.508 -10.428 1.00 41.24 O ATOM 1727 CB MET A 113 -18.051 -1.111 -12.766 1.00 24.52 C ATOM 1728 CG MET A 113 -18.147 -2.490 -12.131 1.00 72.44 C ATOM 1729 SD MET A 113 -17.099 -3.706 -12.953 1.00 63.14 S ATOM 1730 CE MET A 113 -15.521 -2.860 -12.935 1.00 64.22 C ATOM 0 H MET A 113 -18.403 1.116 -13.899 1.00 55.25 H new ATOM 0 HA MET A 113 -20.188 -0.985 -12.971 1.00 44.45 H new ATOM 0 HB2 MET A 113 -17.742 -1.219 -13.806 1.00 24.52 H new ATOM 0 HB3 MET A 113 -17.272 -0.540 -12.260 1.00 24.52 H new ATOM 0 HG2 MET A 113 -17.864 -2.423 -11.081 1.00 72.44 H new ATOM 0 HG3 MET A 113 -19.183 -2.829 -12.161 1.00 72.44 H new ATOM 0 HE1 MET A 113 -14.746 -3.527 -13.313 1.00 64.22 H new ATOM 0 HE2 MET A 113 -15.576 -1.974 -13.567 1.00 64.22 H new ATOM 0 HE3 MET A 113 -15.279 -2.564 -11.914 1.00 64.22 H new ATOM 1740 N GLY A 114 -19.249 1.477 -11.092 1.00 52.11 N ATOM 1741 CA GLY A 114 -19.427 2.085 -9.786 1.00 33.12 C ATOM 1742 C GLY A 114 -18.108 2.381 -9.100 1.00 1.33 C ATOM 1743 O GLY A 114 -18.047 2.489 -7.875 1.00 3.23 O ATOM 0 H GLY A 114 -18.850 2.093 -11.801 1.00 52.11 H new ATOM 0 HA2 GLY A 114 -19.993 3.010 -9.893 1.00 33.12 H new ATOM 0 HA3 GLY A 114 -20.019 1.420 -9.157 1.00 33.12 H new ATOM 1747 N LEU A 115 -17.048 2.512 -9.890 1.00 52.44 N ATOM 1748 CA LEU A 115 -15.722 2.796 -9.352 1.00 72.03 C ATOM 1749 C LEU A 115 -15.476 4.300 -9.276 1.00 23.41 C ATOM 1750 O LEU A 115 -14.675 4.767 -8.466 1.00 63.52 O ATOM 1751 CB LEU A 115 -14.647 2.135 -10.216 1.00 42.33 C ATOM 1752 CG LEU A 115 -14.897 0.676 -10.599 1.00 52.12 C ATOM 1753 CD1 LEU A 115 -13.768 0.152 -11.472 1.00 52.50 C ATOM 1754 CD2 LEU A 115 -15.055 -0.183 -9.354 1.00 3.53 C ATOM 0 H LEU A 115 -17.081 2.426 -10.906 1.00 52.44 H new ATOM 0 HA LEU A 115 -15.671 2.386 -8.343 1.00 72.03 H new ATOM 0 HB2 LEU A 115 -14.537 2.716 -11.131 1.00 42.33 H new ATOM 0 HB3 LEU A 115 -13.697 2.193 -9.685 1.00 42.33 H new ATOM 0 HG LEU A 115 -15.824 0.624 -11.171 1.00 52.12 H new ATOM 0 HD11 LEU A 115 -13.964 -0.888 -11.734 1.00 52.50 H new ATOM 0 HD12 LEU A 115 -13.704 0.750 -12.381 1.00 52.50 H new ATOM 0 HD13 LEU A 115 -12.826 0.218 -10.927 1.00 52.50 H new ATOM 0 HD21 LEU A 115 -15.232 -1.218 -9.646 1.00 3.53 H new ATOM 0 HD22 LEU A 115 -14.146 -0.126 -8.755 1.00 3.53 H new ATOM 0 HD23 LEU A 115 -15.900 0.178 -8.768 1.00 3.53 H new ATOM 1766 N ASP A 116 -16.170 5.051 -10.122 1.00 55.14 N ATOM 1767 CA ASP A 116 -16.030 6.503 -10.149 1.00 64.23 C ATOM 1768 C ASP A 116 -17.051 7.164 -9.229 1.00 22.31 C ATOM 1769 O ASP A 116 -16.796 8.227 -8.662 1.00 63.00 O ATOM 1770 CB ASP A 116 -16.195 7.026 -11.576 1.00 71.45 C ATOM 1771 CG ASP A 116 -15.636 8.425 -11.748 1.00 32.01 C ATOM 1772 OD1 ASP A 116 -15.701 8.955 -12.877 1.00 51.24 O ATOM 1773 OD2 ASP A 116 -15.135 8.989 -10.754 1.00 13.34 O ATOM 0 H ASP A 116 -16.836 4.679 -10.799 1.00 55.14 H new ATOM 0 HA ASP A 116 -15.031 6.754 -9.793 1.00 64.23 H new ATOM 0 HB2 ASP A 116 -15.693 6.350 -12.268 1.00 71.45 H new ATOM 0 HB3 ASP A 116 -17.253 7.025 -11.840 1.00 71.45 H new ATOM 1778 N THR A 117 -18.211 6.529 -9.086 1.00 52.42 N ATOM 1779 CA THR A 117 -19.272 7.057 -8.238 1.00 3.24 C ATOM 1780 C THR A 117 -19.709 8.441 -8.702 1.00 73.20 C ATOM 1781 O THR A 117 -19.136 9.452 -8.297 1.00 32.34 O ATOM 1782 CB THR A 117 -18.825 7.139 -6.765 1.00 51.32 C ATOM 1783 OG1 THR A 117 -18.186 5.917 -6.378 1.00 51.35 O ATOM 1784 CG2 THR A 117 -20.012 7.407 -5.854 1.00 34.53 C ATOM 0 H THR A 117 -18.439 5.648 -9.547 1.00 52.42 H new ATOM 0 HA THR A 117 -20.113 6.368 -8.317 1.00 3.24 H new ATOM 0 HB THR A 117 -18.119 7.964 -6.668 1.00 51.32 H new ATOM 0 HG1 THR A 117 -17.904 5.978 -5.442 1.00 51.35 H new ATOM 0 HG21 THR A 117 -19.672 7.461 -4.820 1.00 34.53 H new ATOM 0 HG22 THR A 117 -20.478 8.352 -6.132 1.00 34.53 H new ATOM 0 HG23 THR A 117 -20.738 6.601 -5.956 1.00 34.53 H new ATOM 1792 N ARG A 118 -20.730 8.479 -9.553 1.00 22.15 N ATOM 1793 CA ARG A 118 -21.244 9.740 -10.072 1.00 63.43 C ATOM 1794 C ARG A 118 -22.749 9.850 -9.840 1.00 40.42 C ATOM 1795 O ARG A 118 -23.553 9.756 -10.768 1.00 24.20 O ATOM 1796 CB ARG A 118 -20.937 9.864 -11.565 1.00 74.14 C ATOM 1797 CG ARG A 118 -20.813 11.301 -12.044 1.00 54.13 C ATOM 1798 CD ARG A 118 -21.964 11.685 -12.961 1.00 20.44 C ATOM 1799 NE ARG A 118 -21.785 13.013 -13.540 1.00 34.15 N ATOM 1800 CZ ARG A 118 -21.950 14.142 -12.857 1.00 4.23 C ATOM 1801 NH1 ARG A 118 -22.297 14.101 -11.578 1.00 10.22 N ATOM 1802 NH2 ARG A 118 -21.768 15.313 -13.454 1.00 3.41 N ATOM 0 H ARG A 118 -21.217 7.651 -9.897 1.00 22.15 H new ATOM 0 HA ARG A 118 -20.751 10.552 -9.538 1.00 63.43 H new ATOM 0 HB2 ARG A 118 -20.008 9.336 -11.781 1.00 74.14 H new ATOM 0 HB3 ARG A 118 -21.725 9.368 -12.132 1.00 74.14 H new ATOM 0 HG2 ARG A 118 -20.792 11.971 -11.185 1.00 54.13 H new ATOM 0 HG3 ARG A 118 -19.868 11.429 -12.572 1.00 54.13 H new ATOM 0 HD2 ARG A 118 -22.050 10.950 -13.761 1.00 20.44 H new ATOM 0 HD3 ARG A 118 -22.898 11.657 -12.400 1.00 20.44 H new ATOM 0 HE ARG A 118 -21.519 13.079 -14.522 1.00 34.15 H new ATOM 0 HH11 ARG A 118 -22.438 13.202 -11.116 1.00 10.22 H new ATOM 0 HH12 ARG A 118 -22.423 14.968 -11.056 1.00 10.22 H new ATOM 0 HH21 ARG A 118 -21.501 15.348 -14.438 1.00 3.41 H new ATOM 0 HH22 ARG A 118 -21.895 16.178 -12.929 1.00 3.41 H new ATOM 1816 N PRO A 119 -23.139 10.054 -8.574 1.00 62.43 N ATOM 1817 CA PRO A 119 -24.548 10.181 -8.191 1.00 12.02 C ATOM 1818 C PRO A 119 -25.172 11.478 -8.696 1.00 1.54 C ATOM 1819 O PRO A 119 -24.487 12.325 -9.269 1.00 51.32 O ATOM 1820 CB PRO A 119 -24.502 10.170 -6.661 1.00 64.33 C ATOM 1821 CG PRO A 119 -23.139 10.664 -6.319 1.00 21.30 C ATOM 1822 CD PRO A 119 -22.235 10.177 -7.418 1.00 41.23 C ATOM 0 HA PRO A 119 -25.160 9.386 -8.619 1.00 12.02 H new ATOM 0 HB2 PRO A 119 -25.274 10.813 -6.237 1.00 64.33 H new ATOM 0 HB3 PRO A 119 -24.670 9.168 -6.267 1.00 64.33 H new ATOM 0 HG2 PRO A 119 -23.123 11.752 -6.254 1.00 21.30 H new ATOM 0 HG3 PRO A 119 -22.817 10.282 -5.350 1.00 21.30 H new ATOM 0 HD2 PRO A 119 -21.426 10.880 -7.614 1.00 41.23 H new ATOM 0 HD3 PRO A 119 -21.774 9.222 -7.165 1.00 41.23 H new TER 1830 PRO A 119