USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1071 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 52 CYS SG : rot 170:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.023) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.92 K(o=0.92,f=0) USER MOD Single : A 12 ASN : amide:sc= 0.545 K(o=0.55,f=-0.057) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0898 K(o=-0.09,f=-6.9!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 10:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.635 USER MOD Single : A 45 ASN : amide:sc= -0.304 K(o=-0.3,f=-3.2!) USER MOD Single : A 49 CYS SG : rot 46:sc= 0.698 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -171:sc= 0 (180deg=-0.0797) USER MOD Single : A 61 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.29) USER MOD Single : A 64 CYS SG : rot 98:sc= -1.67 USER MOD Single : A 65 THR OG1 : rot 180:sc=0.000715 USER MOD Single : A 66 CYS SG : rot 150:sc= 0.431 USER MOD Single : A 70 HIS : no HE2:sc= 0.758 K(o=0.76,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot -88:sc= 1.38 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= 0.169 X(o=0.17,f=-0.11) USER MOD Single : A 84 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.031) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00291) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00187 USER MOD Single : A 105 CYS SG : rot 25:sc= 0.0721 USER MOD Single : A 108 CYS SG : rot 17:sc= -0.0312 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 1.13 K(o=1.1,f=-3.1!) USER MOD Single : A 124 MET CE :methyl -111:sc= -0.038 (180deg=-0.115) USER MOD Single : A 128 ASN : amide:sc= 1.01 K(o=1,f=-0.15) USER MOD Single : A 133 MET CE :methyl 176:sc= 0 (180deg=-0.0535) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.184 26.249 -35.524 1.00 0.00 N ATOM 2 CA MET A 1 11.528 27.203 -34.424 1.00 0.00 C ATOM 3 C MET A 1 11.042 26.663 -33.061 1.00 0.00 C ATOM 4 O MET A 1 9.849 26.370 -32.938 1.00 0.00 O ATOM 5 CB MET A 1 10.957 28.615 -34.720 1.00 0.00 C ATOM 6 CG MET A 1 11.420 29.693 -33.723 1.00 0.00 C ATOM 7 SD MET A 1 10.738 31.358 -33.992 1.00 0.00 S ATOM 8 CE MET A 1 11.545 31.829 -35.549 1.00 0.00 C ATOM 0 H1 MET A 1 11.519 26.630 -36.432 1.00 0.00 H new ATOM 0 H2 MET A 1 11.641 25.332 -35.344 1.00 0.00 H new ATOM 0 H3 MET A 1 10.153 26.120 -35.562 1.00 0.00 H new ATOM 0 HA MET A 1 12.613 27.295 -34.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.252 28.913 -35.726 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.868 28.566 -34.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.155 29.369 -32.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.508 29.755 -33.761 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.278 32.855 -35.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.626 31.753 -35.436 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.216 31.162 -36.346 1.00 0.00 H new ATOM 18 N PRO A 2 11.922 26.525 -32.037 1.00 0.00 N ATOM 19 CA PRO A 2 11.564 25.938 -30.738 1.00 0.00 C ATOM 20 C PRO A 2 10.901 26.921 -29.752 1.00 0.00 C ATOM 21 O PRO A 2 10.151 26.473 -28.887 1.00 0.00 O ATOM 22 CB PRO A 2 12.886 25.395 -30.181 1.00 0.00 C ATOM 23 CG PRO A 2 13.927 26.370 -30.725 1.00 0.00 C ATOM 24 CD PRO A 2 13.375 26.712 -32.111 1.00 0.00 C ATOM 0 HA PRO A 2 10.803 25.169 -30.872 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.885 25.375 -29.091 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.075 24.376 -30.518 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.020 27.256 -30.096 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.916 25.915 -30.784 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.621 27.738 -32.384 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.811 26.066 -32.873 1.00 0.00 H new ATOM 32 N VAL A 3 11.156 28.238 -29.860 1.00 0.00 N ATOM 33 CA VAL A 3 10.551 29.303 -29.023 1.00 0.00 C ATOM 34 C VAL A 3 11.053 29.198 -27.567 1.00 0.00 C ATOM 35 O VAL A 3 10.279 29.084 -26.616 1.00 0.00 O ATOM 36 CB VAL A 3 9.001 29.392 -29.148 1.00 0.00 C ATOM 37 CG1 VAL A 3 8.483 30.741 -28.610 1.00 0.00 C ATOM 38 CG2 VAL A 3 8.533 29.288 -30.614 1.00 0.00 C ATOM 0 H VAL A 3 11.808 28.607 -30.552 1.00 0.00 H new ATOM 0 HA VAL A 3 10.895 30.260 -29.415 1.00 0.00 H new ATOM 0 HB VAL A 3 8.605 28.558 -28.568 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.398 30.779 -28.708 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.756 30.843 -27.560 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.928 31.556 -29.181 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.446 29.355 -30.654 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.968 30.102 -31.194 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.854 28.334 -31.031 1.00 0.00 H new ATOM 48 N ARG A 4 12.386 29.197 -27.414 1.00 0.00 N ATOM 49 CA ARG A 4 13.117 29.060 -26.139 1.00 0.00 C ATOM 50 C ARG A 4 14.113 30.227 -25.959 1.00 0.00 C ATOM 51 O ARG A 4 15.307 30.028 -25.714 1.00 0.00 O ATOM 52 CB ARG A 4 13.801 27.675 -26.077 1.00 0.00 C ATOM 53 CG ARG A 4 12.847 26.475 -26.217 1.00 0.00 C ATOM 54 CD ARG A 4 11.828 26.352 -25.078 1.00 0.00 C ATOM 55 NE ARG A 4 10.890 25.243 -25.331 1.00 0.00 N ATOM 56 CZ ARG A 4 9.907 24.842 -24.533 1.00 0.00 C ATOM 57 NH1 ARG A 4 9.675 25.412 -23.366 1.00 0.00 N ATOM 58 NH2 ARG A 4 9.130 23.847 -24.904 1.00 0.00 N ATOM 0 H ARG A 4 13.015 29.296 -28.211 1.00 0.00 H new ATOM 0 HA ARG A 4 12.418 29.116 -25.304 1.00 0.00 H new ATOM 0 HB2 ARG A 4 14.550 27.620 -26.867 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.332 27.590 -25.129 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.311 26.558 -27.163 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.436 25.559 -26.264 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.349 26.186 -24.135 1.00 0.00 H new ATOM 0 HD3 ARG A 4 11.275 27.286 -24.977 1.00 0.00 H new ATOM 0 HE ARG A 4 11.008 24.733 -26.206 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.260 26.186 -23.051 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.911 25.078 -22.778 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.284 23.387 -25.801 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.374 23.536 -24.294 1.00 0.00 H new ATOM 72 N ARG A 5 13.616 31.455 -26.155 1.00 0.00 N ATOM 73 CA ARG A 5 14.391 32.709 -26.153 1.00 0.00 C ATOM 74 C ARG A 5 14.967 33.055 -24.766 1.00 0.00 C ATOM 75 O ARG A 5 14.495 32.563 -23.736 1.00 0.00 O ATOM 76 CB ARG A 5 13.505 33.864 -26.672 1.00 0.00 C ATOM 77 CG ARG A 5 13.021 33.708 -28.126 1.00 0.00 C ATOM 78 CD ARG A 5 14.165 33.722 -29.148 1.00 0.00 C ATOM 79 NE ARG A 5 13.647 33.732 -30.528 1.00 0.00 N ATOM 80 CZ ARG A 5 14.369 33.846 -31.638 1.00 0.00 C ATOM 81 NH1 ARG A 5 15.684 33.938 -31.614 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.767 33.874 -32.809 1.00 0.00 N ATOM 0 H ARG A 5 12.623 31.612 -26.327 1.00 0.00 H new ATOM 0 HA ARG A 5 15.245 32.566 -26.815 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.634 33.955 -26.022 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.063 34.796 -26.588 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.470 32.773 -28.220 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.324 34.513 -28.359 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.791 34.600 -28.985 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.798 32.847 -29.001 1.00 0.00 H new ATOM 0 HE ARG A 5 12.637 33.643 -30.642 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.180 33.923 -30.723 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.205 34.024 -32.487 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.750 33.808 -32.862 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.317 33.961 -33.663 1.00 0.00 H new ATOM 96 N GLY A 6 15.968 33.943 -24.754 1.00 0.00 N ATOM 97 CA GLY A 6 16.659 34.448 -23.557 1.00 0.00 C ATOM 98 C GLY A 6 18.064 33.863 -23.394 1.00 0.00 C ATOM 99 O GLY A 6 18.309 32.695 -23.695 1.00 0.00 O ATOM 0 H GLY A 6 16.336 34.348 -25.615 1.00 0.00 H new ATOM 0 HA2 GLY A 6 16.727 35.534 -23.613 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.066 34.211 -22.673 1.00 0.00 H new ATOM 103 N HIS A 7 18.997 34.664 -22.879 1.00 0.00 N ATOM 104 CA HIS A 7 20.420 34.315 -22.712 1.00 0.00 C ATOM 105 C HIS A 7 20.656 33.454 -21.443 1.00 0.00 C ATOM 106 O HIS A 7 21.390 33.851 -20.534 1.00 0.00 O ATOM 107 CB HIS A 7 21.250 35.613 -22.738 1.00 0.00 C ATOM 108 CG HIS A 7 21.118 36.392 -24.026 1.00 0.00 C ATOM 109 ND1 HIS A 7 21.759 36.120 -25.216 1.00 0.00 N ATOM 110 CD2 HIS A 7 20.339 37.501 -24.235 1.00 0.00 C ATOM 111 CE1 HIS A 7 21.372 37.038 -26.118 1.00 0.00 C ATOM 112 NE2 HIS A 7 20.501 37.908 -25.567 1.00 0.00 N ATOM 0 H HIS A 7 18.782 35.607 -22.554 1.00 0.00 H new ATOM 0 HA HIS A 7 20.749 33.685 -23.538 1.00 0.00 H new ATOM 0 HB2 HIS A 7 20.942 36.247 -21.907 1.00 0.00 H new ATOM 0 HB3 HIS A 7 22.300 35.366 -22.579 1.00 0.00 H new ATOM 0 HD2 HIS A 7 19.709 37.979 -23.500 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.712 37.074 -27.143 1.00 0.00 H new ATOM 0 HE2 HIS A 7 20.052 38.701 -26.026 1.00 0.00 H new ATOM 120 N VAL A 8 19.980 32.296 -21.374 1.00 0.00 N ATOM 121 CA VAL A 8 19.863 31.349 -20.242 1.00 0.00 C ATOM 122 C VAL A 8 18.821 31.869 -19.242 1.00 0.00 C ATOM 123 O VAL A 8 18.968 32.948 -18.666 1.00 0.00 O ATOM 124 CB VAL A 8 21.196 30.989 -19.528 1.00 0.00 C ATOM 125 CG1 VAL A 8 20.968 29.897 -18.466 1.00 0.00 C ATOM 126 CG2 VAL A 8 22.240 30.459 -20.529 1.00 0.00 C ATOM 0 H VAL A 8 19.451 31.964 -22.181 1.00 0.00 H new ATOM 0 HA VAL A 8 19.537 30.405 -20.679 1.00 0.00 H new ATOM 0 HB VAL A 8 21.561 31.904 -19.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 21.914 29.660 -17.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 20.256 30.256 -17.722 1.00 0.00 H new ATOM 0 HG13 VAL A 8 20.572 29.001 -18.944 1.00 0.00 H new ATOM 0 HG21 VAL A 8 23.161 30.216 -19.999 1.00 0.00 H new ATOM 0 HG22 VAL A 8 21.855 29.564 -21.017 1.00 0.00 H new ATOM 0 HG23 VAL A 8 22.444 31.222 -21.280 1.00 0.00 H new ATOM 136 N ALA A 9 17.751 31.091 -19.046 1.00 0.00 N ATOM 137 CA ALA A 9 16.642 31.430 -18.150 1.00 0.00 C ATOM 138 C ALA A 9 17.046 31.342 -16.656 1.00 0.00 C ATOM 139 O ALA A 9 17.915 30.533 -16.309 1.00 0.00 O ATOM 140 CB ALA A 9 15.468 30.496 -18.487 1.00 0.00 C ATOM 0 H ALA A 9 17.630 30.193 -19.514 1.00 0.00 H new ATOM 0 HA ALA A 9 16.348 32.468 -18.304 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.624 30.723 -17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.174 30.642 -19.526 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.773 29.460 -18.338 1.00 0.00 H new ATOM 146 N PRO A 10 16.391 32.104 -15.752 1.00 0.00 N ATOM 147 CA PRO A 10 16.690 32.089 -14.318 1.00 0.00 C ATOM 148 C PRO A 10 16.217 30.816 -13.589 1.00 0.00 C ATOM 149 O PRO A 10 16.554 30.655 -12.418 1.00 0.00 O ATOM 150 CB PRO A 10 16.010 33.346 -13.757 1.00 0.00 C ATOM 151 CG PRO A 10 14.810 33.534 -14.681 1.00 0.00 C ATOM 152 CD PRO A 10 15.366 33.104 -16.037 1.00 0.00 C ATOM 0 HA PRO A 10 17.768 32.086 -14.159 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.703 33.209 -12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.676 34.209 -13.781 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.963 32.919 -14.376 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.465 34.568 -14.693 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.580 32.688 -16.667 1.00 0.00 H new ATOM 0 HD3 PRO A 10 15.788 33.954 -16.573 1.00 0.00 H new ATOM 160 N GLN A 11 15.439 29.932 -14.248 1.00 0.00 N ATOM 161 CA GLN A 11 15.027 28.586 -13.783 1.00 0.00 C ATOM 162 C GLN A 11 14.058 28.588 -12.582 1.00 0.00 C ATOM 163 O GLN A 11 13.643 27.532 -12.108 1.00 0.00 O ATOM 164 CB GLN A 11 16.271 27.733 -13.498 1.00 0.00 C ATOM 165 CG GLN A 11 17.013 27.333 -14.788 1.00 0.00 C ATOM 166 CD GLN A 11 18.527 27.298 -14.589 1.00 0.00 C ATOM 167 OE1 GLN A 11 19.098 26.344 -14.071 1.00 0.00 O ATOM 168 NE2 GLN A 11 19.235 28.340 -14.978 1.00 0.00 N ATOM 0 H GLN A 11 15.059 30.148 -15.170 1.00 0.00 H new ATOM 0 HA GLN A 11 14.451 28.144 -14.596 1.00 0.00 H new ATOM 0 HB2 GLN A 11 16.948 28.288 -12.849 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.976 26.834 -12.957 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.668 26.353 -15.116 1.00 0.00 H new ATOM 0 HG3 GLN A 11 16.768 28.039 -15.581 1.00 0.00 H new ATOM 0 HE21 GLN A 11 18.771 29.139 -15.410 1.00 0.00 H new ATOM 0 HE22 GLN A 11 20.247 28.347 -14.847 1.00 0.00 H new ATOM 177 N ASN A 12 13.690 29.782 -12.115 1.00 0.00 N ATOM 178 CA ASN A 12 12.755 30.158 -11.067 1.00 0.00 C ATOM 179 C ASN A 12 12.765 29.200 -9.877 1.00 0.00 C ATOM 180 O ASN A 12 11.730 28.669 -9.492 1.00 0.00 O ATOM 181 CB ASN A 12 11.388 30.461 -11.691 1.00 0.00 C ATOM 182 CG ASN A 12 10.847 29.356 -12.599 1.00 0.00 C ATOM 183 OD1 ASN A 12 10.655 29.549 -13.795 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.622 28.166 -12.079 1.00 0.00 N ATOM 0 H ASN A 12 14.103 30.620 -12.525 1.00 0.00 H new ATOM 0 HA ASN A 12 13.081 31.086 -10.597 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.670 30.641 -10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.462 31.383 -12.267 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.288 27.406 -12.671 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.782 28.006 -11.084 1.00 0.00 H new ATOM 191 N THR A 13 13.958 28.977 -9.327 1.00 0.00 N ATOM 192 CA THR A 13 14.313 27.957 -8.317 1.00 0.00 C ATOM 193 C THR A 13 13.334 27.868 -7.152 1.00 0.00 C ATOM 194 O THR A 13 13.009 26.766 -6.715 1.00 0.00 O ATOM 195 CB THR A 13 15.734 28.199 -7.787 1.00 0.00 C ATOM 196 OG1 THR A 13 15.848 29.532 -7.327 1.00 0.00 O ATOM 197 CG2 THR A 13 16.779 27.974 -8.883 1.00 0.00 C ATOM 0 H THR A 13 14.767 29.541 -9.589 1.00 0.00 H new ATOM 0 HA THR A 13 14.261 26.999 -8.835 1.00 0.00 H new ATOM 0 HB THR A 13 15.913 27.495 -6.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.755 29.685 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.775 28.153 -8.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.713 26.948 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.594 28.661 -9.709 1.00 0.00 H new ATOM 205 N PHE A 14 12.813 29.007 -6.691 1.00 0.00 N ATOM 206 CA PHE A 14 11.792 29.077 -5.644 1.00 0.00 C ATOM 207 C PHE A 14 10.487 28.381 -6.066 1.00 0.00 C ATOM 208 O PHE A 14 9.982 27.529 -5.340 1.00 0.00 O ATOM 209 CB PHE A 14 11.551 30.550 -5.289 1.00 0.00 C ATOM 210 CG PHE A 14 11.037 30.757 -3.876 1.00 0.00 C ATOM 211 CD1 PHE A 14 9.678 30.538 -3.571 1.00 0.00 C ATOM 212 CD2 PHE A 14 11.924 31.155 -2.857 1.00 0.00 C ATOM 213 CE1 PHE A 14 9.212 30.720 -2.257 1.00 0.00 C ATOM 214 CE2 PHE A 14 11.455 31.339 -1.543 1.00 0.00 C ATOM 215 CZ PHE A 14 10.100 31.121 -1.242 1.00 0.00 C ATOM 0 H PHE A 14 13.094 29.923 -7.041 1.00 0.00 H new ATOM 0 HA PHE A 14 12.150 28.543 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.483 31.102 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.834 30.972 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.994 30.230 -4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 14 12.967 31.319 -3.085 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.170 30.552 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 14 12.137 31.648 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.741 31.261 -0.233 1.00 0.00 H new ATOM 225 N LEU A 15 9.977 28.709 -7.261 1.00 0.00 N ATOM 226 CA LEU A 15 8.815 28.072 -7.892 1.00 0.00 C ATOM 227 C LEU A 15 9.128 26.636 -8.332 1.00 0.00 C ATOM 228 O LEU A 15 8.308 25.744 -8.132 1.00 0.00 O ATOM 229 CB LEU A 15 8.355 28.954 -9.072 1.00 0.00 C ATOM 230 CG LEU A 15 7.246 28.333 -9.945 1.00 0.00 C ATOM 231 CD1 LEU A 15 5.947 28.098 -9.160 1.00 0.00 C ATOM 232 CD2 LEU A 15 6.961 29.249 -11.144 1.00 0.00 C ATOM 0 H LEU A 15 10.377 29.452 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 15 8.003 27.991 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.999 29.906 -8.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.217 29.172 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 15 7.604 27.361 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.198 27.660 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.141 27.419 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.579 29.048 -8.773 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.177 28.809 -11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.636 30.226 -10.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.868 29.364 -11.738 1.00 0.00 H new ATOM 244 N ASP A 16 10.319 26.379 -8.872 1.00 0.00 N ATOM 245 CA ASP A 16 10.749 25.029 -9.269 1.00 0.00 C ATOM 246 C ASP A 16 10.776 24.038 -8.096 1.00 0.00 C ATOM 247 O ASP A 16 10.527 22.844 -8.279 1.00 0.00 O ATOM 248 CB ASP A 16 12.135 25.124 -9.898 1.00 0.00 C ATOM 249 CG ASP A 16 12.541 23.818 -10.600 1.00 0.00 C ATOM 250 OD1 ASP A 16 11.922 23.475 -11.637 1.00 0.00 O ATOM 251 OD2 ASP A 16 13.485 23.145 -10.120 1.00 0.00 O ATOM 0 H ASP A 16 11.018 27.100 -9.049 1.00 0.00 H new ATOM 0 HA ASP A 16 10.020 24.645 -9.983 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.151 25.942 -10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.867 25.364 -9.127 1.00 0.00 H new ATOM 256 N THR A 17 11.002 24.560 -6.883 1.00 0.00 N ATOM 257 CA THR A 17 10.924 23.800 -5.626 1.00 0.00 C ATOM 258 C THR A 17 9.481 23.410 -5.319 1.00 0.00 C ATOM 259 O THR A 17 9.247 22.351 -4.754 1.00 0.00 O ATOM 260 CB THR A 17 11.566 24.580 -4.468 1.00 0.00 C ATOM 261 OG1 THR A 17 12.931 24.780 -4.762 1.00 0.00 O ATOM 262 CG2 THR A 17 11.507 23.833 -3.132 1.00 0.00 C ATOM 0 H THR A 17 11.249 25.540 -6.744 1.00 0.00 H new ATOM 0 HA THR A 17 11.493 22.878 -5.746 1.00 0.00 H new ATOM 0 HB THR A 17 11.008 25.511 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.019 25.461 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.977 24.437 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.467 23.645 -2.866 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.035 22.884 -3.222 1.00 0.00 H new ATOM 270 N ILE A 18 8.500 24.205 -5.745 1.00 0.00 N ATOM 271 CA ILE A 18 7.068 23.882 -5.608 1.00 0.00 C ATOM 272 C ILE A 18 6.654 22.873 -6.678 1.00 0.00 C ATOM 273 O ILE A 18 5.970 21.901 -6.376 1.00 0.00 O ATOM 274 CB ILE A 18 6.197 25.160 -5.675 1.00 0.00 C ATOM 275 CG1 ILE A 18 6.800 26.345 -4.892 1.00 0.00 C ATOM 276 CG2 ILE A 18 4.765 24.861 -5.198 1.00 0.00 C ATOM 277 CD1 ILE A 18 7.094 26.092 -3.406 1.00 0.00 C ATOM 0 H ILE A 18 8.672 25.101 -6.200 1.00 0.00 H new ATOM 0 HA ILE A 18 6.907 23.432 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 18 6.169 25.466 -6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.728 26.642 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.116 27.190 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.166 25.770 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.321 24.096 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.792 24.504 -4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.514 26.993 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.169 25.830 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.807 25.273 -3.310 1.00 0.00 H new ATOM 289 N ILE A 19 7.127 23.048 -7.915 1.00 0.00 N ATOM 290 CA ILE A 19 6.863 22.116 -9.024 1.00 0.00 C ATOM 291 C ILE A 19 7.328 20.697 -8.662 1.00 0.00 C ATOM 292 O ILE A 19 6.552 19.755 -8.814 1.00 0.00 O ATOM 293 CB ILE A 19 7.483 22.652 -10.340 1.00 0.00 C ATOM 294 CG1 ILE A 19 6.772 23.964 -10.764 1.00 0.00 C ATOM 295 CG2 ILE A 19 7.381 21.602 -11.465 1.00 0.00 C ATOM 296 CD1 ILE A 19 7.485 24.745 -11.877 1.00 0.00 C ATOM 0 H ILE A 19 7.708 23.844 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 19 5.789 22.049 -9.194 1.00 0.00 H new ATOM 0 HB ILE A 19 8.539 22.859 -10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.762 23.724 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.675 24.608 -9.890 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.823 22.002 -12.377 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.915 20.699 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.333 21.362 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.918 25.647 -12.109 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.486 25.021 -11.544 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.558 24.123 -12.769 1.00 0.00 H new ATOM 308 N ARG A 20 8.539 20.523 -8.112 1.00 0.00 N ATOM 309 CA ARG A 20 9.048 19.188 -7.744 1.00 0.00 C ATOM 310 C ARG A 20 8.339 18.558 -6.531 1.00 0.00 C ATOM 311 O ARG A 20 8.345 17.335 -6.398 1.00 0.00 O ATOM 312 CB ARG A 20 10.577 19.211 -7.594 1.00 0.00 C ATOM 313 CG ARG A 20 11.076 19.960 -6.351 1.00 0.00 C ATOM 314 CD ARG A 20 12.600 20.128 -6.336 1.00 0.00 C ATOM 315 NE ARG A 20 13.299 18.841 -6.155 1.00 0.00 N ATOM 316 CZ ARG A 20 14.592 18.612 -6.360 1.00 0.00 C ATOM 317 NH1 ARG A 20 15.413 19.553 -6.779 1.00 0.00 N ATOM 318 NH2 ARG A 20 15.087 17.413 -6.140 1.00 0.00 N ATOM 0 H ARG A 20 9.185 21.287 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 20 8.801 18.523 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.943 18.185 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.011 19.672 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.605 20.942 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.765 19.420 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.923 20.587 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.881 20.809 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 20 12.735 18.051 -5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.062 20.494 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.400 19.341 -6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.479 16.662 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.079 17.234 -6.296 1.00 0.00 H new ATOM 332 N LYS A 21 7.690 19.362 -5.675 1.00 0.00 N ATOM 333 CA LYS A 21 6.801 18.892 -4.599 1.00 0.00 C ATOM 334 C LYS A 21 5.407 18.490 -5.116 1.00 0.00 C ATOM 335 O LYS A 21 4.808 17.555 -4.589 1.00 0.00 O ATOM 336 CB LYS A 21 6.653 20.008 -3.552 1.00 0.00 C ATOM 337 CG LYS A 21 7.940 20.238 -2.745 1.00 0.00 C ATOM 338 CD LYS A 21 7.893 21.519 -1.900 1.00 0.00 C ATOM 339 CE LYS A 21 6.749 21.481 -0.876 1.00 0.00 C ATOM 340 NZ LYS A 21 6.823 22.613 0.089 1.00 0.00 N ATOM 0 H LYS A 21 7.770 20.378 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 21 7.253 18.002 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.372 20.935 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.841 19.755 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.111 19.383 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.787 20.290 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.843 21.648 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.768 22.382 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.793 21.513 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.782 20.538 -0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.032 22.548 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.723 22.569 0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.765 23.514 -0.427 1.00 0.00 H new ATOM 354 N PHE A 22 4.885 19.184 -6.133 1.00 0.00 N ATOM 355 CA PHE A 22 3.607 18.856 -6.778 1.00 0.00 C ATOM 356 C PHE A 22 3.745 17.673 -7.752 1.00 0.00 C ATOM 357 O PHE A 22 2.806 16.886 -7.888 1.00 0.00 O ATOM 358 CB PHE A 22 3.035 20.111 -7.457 1.00 0.00 C ATOM 359 CG PHE A 22 2.161 20.952 -6.538 1.00 0.00 C ATOM 360 CD1 PHE A 22 2.718 21.627 -5.433 1.00 0.00 C ATOM 361 CD2 PHE A 22 0.773 21.036 -6.768 1.00 0.00 C ATOM 362 CE1 PHE A 22 1.901 22.382 -4.573 1.00 0.00 C ATOM 363 CE2 PHE A 22 -0.046 21.790 -5.908 1.00 0.00 C ATOM 364 CZ PHE A 22 0.517 22.464 -4.810 1.00 0.00 C ATOM 0 H PHE A 22 5.344 20.000 -6.537 1.00 0.00 H new ATOM 0 HA PHE A 22 2.901 18.531 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.859 20.724 -7.823 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.450 19.810 -8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.780 21.564 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.336 20.519 -7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.336 22.899 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.109 21.851 -6.091 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.112 23.043 -4.150 1.00 0.00 H new ATOM 374 N GLU A 23 4.918 17.503 -8.370 1.00 0.00 N ATOM 375 CA GLU A 23 5.299 16.277 -9.079 1.00 0.00 C ATOM 376 C GLU A 23 5.551 15.105 -8.103 1.00 0.00 C ATOM 377 O GLU A 23 5.658 15.284 -6.888 1.00 0.00 O ATOM 378 CB GLU A 23 6.532 16.539 -9.966 1.00 0.00 C ATOM 379 CG GLU A 23 6.232 17.413 -11.194 1.00 0.00 C ATOM 380 CD GLU A 23 5.311 16.700 -12.198 1.00 0.00 C ATOM 381 OE1 GLU A 23 5.759 15.731 -12.854 1.00 0.00 O ATOM 382 OE2 GLU A 23 4.133 17.105 -12.347 1.00 0.00 O ATOM 0 H GLU A 23 5.640 18.223 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 23 4.466 15.984 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.304 17.022 -9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.938 15.584 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.765 18.343 -10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.167 17.680 -11.686 1.00 0.00 H new ATOM 389 N GLY A 24 5.679 13.882 -8.637 1.00 0.00 N ATOM 390 CA GLY A 24 5.866 12.644 -7.859 1.00 0.00 C ATOM 391 C GLY A 24 7.305 12.367 -7.403 1.00 0.00 C ATOM 392 O GLY A 24 7.571 11.284 -6.886 1.00 0.00 O ATOM 0 H GLY A 24 5.655 13.720 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.225 12.688 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.524 11.801 -8.460 1.00 0.00 H new ATOM 396 N GLN A 25 8.236 13.308 -7.597 1.00 0.00 N ATOM 397 CA GLN A 25 9.679 13.094 -7.415 1.00 0.00 C ATOM 398 C GLN A 25 10.074 12.869 -5.944 1.00 0.00 C ATOM 399 O GLN A 25 10.925 12.032 -5.646 1.00 0.00 O ATOM 400 CB GLN A 25 10.424 14.300 -8.027 1.00 0.00 C ATOM 401 CG GLN A 25 11.946 14.101 -8.167 1.00 0.00 C ATOM 402 CD GLN A 25 12.316 13.014 -9.183 1.00 0.00 C ATOM 403 OE1 GLN A 25 12.654 11.888 -8.840 1.00 0.00 O ATOM 404 NE2 GLN A 25 12.247 13.293 -10.471 1.00 0.00 N ATOM 0 H GLN A 25 8.005 14.257 -7.890 1.00 0.00 H new ATOM 0 HA GLN A 25 9.964 12.175 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.005 14.510 -9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.240 15.178 -7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.404 15.043 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.364 13.840 -7.195 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.967 14.225 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.473 12.577 -11.161 1.00 0.00 H new ATOM 413 N SER A 26 9.444 13.587 -5.013 1.00 0.00 N ATOM 414 CA SER A 26 9.717 13.504 -3.565 1.00 0.00 C ATOM 415 C SER A 26 8.829 12.489 -2.810 1.00 0.00 C ATOM 416 O SER A 26 8.975 12.314 -1.595 1.00 0.00 O ATOM 417 CB SER A 26 9.550 14.903 -2.955 1.00 0.00 C ATOM 418 OG SER A 26 8.224 15.392 -3.131 1.00 0.00 O ATOM 0 H SER A 26 8.712 14.259 -5.243 1.00 0.00 H new ATOM 0 HA SER A 26 10.738 13.139 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.789 14.869 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.257 15.591 -3.419 1.00 0.00 H new ATOM 0 HG SER A 26 8.148 16.283 -2.731 1.00 0.00 H new ATOM 424 N ARG A 27 7.884 11.838 -3.505 1.00 0.00 N ATOM 425 CA ARG A 27 6.854 10.976 -2.906 1.00 0.00 C ATOM 426 C ARG A 27 7.345 9.541 -2.636 1.00 0.00 C ATOM 427 O ARG A 27 8.429 9.121 -3.041 1.00 0.00 O ATOM 428 CB ARG A 27 5.584 10.973 -3.778 1.00 0.00 C ATOM 429 CG ARG A 27 4.665 12.197 -3.623 1.00 0.00 C ATOM 430 CD ARG A 27 5.306 13.570 -3.876 1.00 0.00 C ATOM 431 NE ARG A 27 4.274 14.610 -4.028 1.00 0.00 N ATOM 432 CZ ARG A 27 3.475 15.113 -3.090 1.00 0.00 C ATOM 433 NH1 ARG A 27 3.627 14.839 -1.810 1.00 0.00 N ATOM 434 NH2 ARG A 27 2.493 15.916 -3.436 1.00 0.00 N ATOM 0 H ARG A 27 7.813 11.897 -4.521 1.00 0.00 H new ATOM 0 HA ARG A 27 6.616 11.400 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.883 10.897 -4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.008 10.077 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.824 12.081 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.257 12.192 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.967 13.826 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.922 13.529 -4.774 1.00 0.00 H new ATOM 0 HE ARG A 27 4.158 14.991 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.379 14.220 -1.507 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.992 15.246 -1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.347 16.150 -4.418 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.877 16.305 -2.722 1.00 0.00 H new ATOM 448 N LYS A 28 6.504 8.782 -1.925 1.00 0.00 N ATOM 449 CA LYS A 28 6.754 7.430 -1.414 1.00 0.00 C ATOM 450 C LYS A 28 5.911 6.403 -2.184 1.00 0.00 C ATOM 451 O LYS A 28 4.767 6.687 -2.537 1.00 0.00 O ATOM 452 CB LYS A 28 6.384 7.396 0.086 1.00 0.00 C ATOM 453 CG LYS A 28 6.996 8.533 0.926 1.00 0.00 C ATOM 454 CD LYS A 28 6.071 9.764 1.058 1.00 0.00 C ATOM 455 CE LYS A 28 6.918 10.945 1.544 1.00 0.00 C ATOM 456 NZ LYS A 28 6.167 12.232 1.627 1.00 0.00 N ATOM 0 H LYS A 28 5.573 9.116 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 28 7.806 7.177 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.299 7.437 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.704 6.441 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.229 8.155 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.938 8.842 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.608 9.997 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.263 9.560 1.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.324 10.708 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.766 11.073 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.803 12.984 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.801 12.482 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.373 12.128 2.291 1.00 0.00 H new ATOM 470 N PHE A 29 6.439 5.195 -2.387 1.00 0.00 N ATOM 471 CA PHE A 29 5.755 4.095 -3.071 1.00 0.00 C ATOM 472 C PHE A 29 6.452 2.742 -2.892 1.00 0.00 C ATOM 473 O PHE A 29 7.629 2.672 -2.539 1.00 0.00 O ATOM 474 CB PHE A 29 5.561 4.428 -4.566 1.00 0.00 C ATOM 475 CG PHE A 29 6.826 4.779 -5.329 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.696 3.765 -5.776 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.126 6.128 -5.605 1.00 0.00 C ATOM 478 CE1 PHE A 29 8.866 4.099 -6.481 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.293 6.460 -6.317 1.00 0.00 C ATOM 480 CZ PHE A 29 9.164 5.446 -6.753 1.00 0.00 C ATOM 0 H PHE A 29 7.377 4.948 -2.073 1.00 0.00 H new ATOM 0 HA PHE A 29 4.778 3.992 -2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.090 3.574 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.866 5.264 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.464 2.729 -5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.459 6.908 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.536 3.320 -6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.520 7.494 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.062 5.702 -7.297 1.00 0.00 H new ATOM 490 N ILE A 30 5.718 1.669 -3.186 1.00 0.00 N ATOM 491 CA ILE A 30 6.197 0.278 -3.249 1.00 0.00 C ATOM 492 C ILE A 30 5.560 -0.452 -4.440 1.00 0.00 C ATOM 493 O ILE A 30 4.491 -0.065 -4.902 1.00 0.00 O ATOM 494 CB ILE A 30 5.934 -0.458 -1.912 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.428 -0.592 -1.602 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.659 0.235 -0.749 1.00 0.00 C ATOM 497 CD1 ILE A 30 4.153 -1.248 -0.245 1.00 0.00 C ATOM 0 H ILE A 30 4.723 1.744 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 30 7.276 0.285 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 30 6.335 -1.465 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.969 0.397 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.952 -1.180 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.457 -0.302 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.732 0.239 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.303 1.261 -0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.077 -1.314 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.584 -2.249 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.602 -0.648 0.547 1.00 0.00 H new ATOM 509 N ILE A 31 6.210 -1.501 -4.944 1.00 0.00 N ATOM 510 CA ILE A 31 5.793 -2.301 -6.105 1.00 0.00 C ATOM 511 C ILE A 31 5.466 -3.717 -5.632 1.00 0.00 C ATOM 512 O ILE A 31 6.263 -4.332 -4.922 1.00 0.00 O ATOM 513 CB ILE A 31 6.915 -2.356 -7.174 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.498 -0.951 -7.474 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.388 -3.039 -8.455 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.575 -0.919 -8.567 1.00 0.00 C ATOM 0 H ILE A 31 7.084 -1.835 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 31 4.916 -1.839 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 31 7.737 -2.952 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.682 -0.290 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.921 -0.545 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.182 -3.074 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.066 -4.053 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.544 -2.472 -8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.922 0.105 -8.706 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.413 -1.549 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.156 -1.290 -9.502 1.00 0.00 H new ATOM 528 N ALA A 32 4.334 -4.260 -6.070 1.00 0.00 N ATOM 529 CA ALA A 32 3.870 -5.597 -5.718 1.00 0.00 C ATOM 530 C ALA A 32 3.350 -6.368 -6.936 1.00 0.00 C ATOM 531 O ALA A 32 2.744 -5.795 -7.841 1.00 0.00 O ATOM 532 CB ALA A 32 2.806 -5.433 -4.637 1.00 0.00 C ATOM 0 H ALA A 32 3.697 -3.768 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 32 4.698 -6.197 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.431 -6.414 -4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.242 -4.937 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.984 -4.831 -5.024 1.00 0.00 H new ATOM 538 N ASN A 33 3.591 -7.679 -6.964 1.00 0.00 N ATOM 539 CA ASN A 33 3.243 -8.554 -8.077 1.00 0.00 C ATOM 540 C ASN A 33 1.734 -8.875 -8.115 1.00 0.00 C ATOM 541 O ASN A 33 1.232 -9.614 -7.268 1.00 0.00 O ATOM 542 CB ASN A 33 4.113 -9.803 -7.902 1.00 0.00 C ATOM 543 CG ASN A 33 4.040 -10.781 -9.058 1.00 0.00 C ATOM 544 OD1 ASN A 33 3.085 -10.826 -9.822 1.00 0.00 O ATOM 545 ND2 ASN A 33 5.064 -11.595 -9.184 1.00 0.00 N ATOM 0 H ASN A 33 4.044 -8.171 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 33 3.436 -8.077 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.150 -9.494 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.813 -10.316 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.076 -12.287 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.847 -11.535 -8.532 1.00 0.00 H new ATOM 552 N ALA A 34 1.018 -8.388 -9.133 1.00 0.00 N ATOM 553 CA ALA A 34 -0.436 -8.563 -9.283 1.00 0.00 C ATOM 554 C ALA A 34 -0.847 -10.008 -9.643 1.00 0.00 C ATOM 555 O ALA A 34 -1.994 -10.397 -9.422 1.00 0.00 O ATOM 556 CB ALA A 34 -0.933 -7.573 -10.346 1.00 0.00 C ATOM 0 H ALA A 34 1.437 -7.851 -9.892 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.902 -8.362 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.010 -7.686 -10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.710 -6.555 -10.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.433 -7.775 -11.293 1.00 0.00 H new ATOM 562 N ARG A 35 0.092 -10.813 -10.167 1.00 0.00 N ATOM 563 CA ARG A 35 -0.132 -12.218 -10.554 1.00 0.00 C ATOM 564 C ARG A 35 -0.210 -13.177 -9.348 1.00 0.00 C ATOM 565 O ARG A 35 -0.743 -14.281 -9.475 1.00 0.00 O ATOM 566 CB ARG A 35 0.955 -12.679 -11.537 1.00 0.00 C ATOM 567 CG ARG A 35 0.999 -11.792 -12.795 1.00 0.00 C ATOM 568 CD ARG A 35 2.125 -12.207 -13.739 1.00 0.00 C ATOM 569 NE ARG A 35 1.924 -13.553 -14.309 1.00 0.00 N ATOM 570 CZ ARG A 35 2.847 -14.301 -14.907 1.00 0.00 C ATOM 571 NH1 ARG A 35 4.089 -13.890 -15.067 1.00 0.00 N ATOM 572 NH2 ARG A 35 2.526 -15.493 -15.361 1.00 0.00 N ATOM 0 H ARG A 35 1.048 -10.500 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.106 -12.256 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.926 -12.657 -11.042 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.768 -13.713 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.044 -11.854 -13.318 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.135 -10.751 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.200 -11.482 -14.549 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.072 -12.183 -13.200 1.00 0.00 H new ATOM 0 HE ARG A 35 0.986 -13.948 -14.238 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.370 -12.970 -14.727 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.770 -14.492 -15.531 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.573 -15.840 -15.254 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.230 -16.070 -15.820 1.00 0.00 H new ATOM 586 N VAL A 36 0.310 -12.766 -8.186 1.00 0.00 N ATOM 587 CA VAL A 36 0.277 -13.515 -6.911 1.00 0.00 C ATOM 588 C VAL A 36 -1.000 -13.148 -6.144 1.00 0.00 C ATOM 589 O VAL A 36 -1.336 -11.970 -6.048 1.00 0.00 O ATOM 590 CB VAL A 36 1.544 -13.224 -6.065 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.514 -13.901 -4.684 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.812 -13.680 -6.805 1.00 0.00 C ATOM 0 H VAL A 36 0.786 -11.868 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 36 0.269 -14.585 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 36 1.558 -12.145 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.427 -13.659 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.652 -13.543 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.442 -14.981 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.688 -13.466 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.756 -14.752 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.892 -13.146 -7.752 1.00 0.00 H new ATOM 602 N GLU A 37 -1.685 -14.146 -5.570 1.00 0.00 N ATOM 603 CA GLU A 37 -2.982 -13.991 -4.883 1.00 0.00 C ATOM 604 C GLU A 37 -2.942 -12.948 -3.746 1.00 0.00 C ATOM 605 O GLU A 37 -3.855 -12.136 -3.598 1.00 0.00 O ATOM 606 CB GLU A 37 -3.392 -15.366 -4.321 1.00 0.00 C ATOM 607 CG GLU A 37 -4.836 -15.441 -3.805 1.00 0.00 C ATOM 608 CD GLU A 37 -5.866 -15.321 -4.940 1.00 0.00 C ATOM 609 OE1 GLU A 37 -6.019 -16.284 -5.729 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.548 -14.275 -5.044 1.00 0.00 O ATOM 0 H GLU A 37 -1.348 -15.109 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.709 -13.625 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.259 -16.117 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.715 -15.628 -3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.984 -16.385 -3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.003 -14.644 -3.080 1.00 0.00 H new ATOM 617 N ASN A 38 -1.857 -12.946 -2.963 1.00 0.00 N ATOM 618 CA ASN A 38 -1.644 -12.020 -1.842 1.00 0.00 C ATOM 619 C ASN A 38 -1.164 -10.618 -2.277 1.00 0.00 C ATOM 620 O ASN A 38 -1.109 -9.727 -1.436 1.00 0.00 O ATOM 621 CB ASN A 38 -0.626 -12.656 -0.877 1.00 0.00 C ATOM 622 CG ASN A 38 -1.120 -13.970 -0.271 1.00 0.00 C ATOM 623 OD1 ASN A 38 -2.214 -14.058 0.276 1.00 0.00 O ATOM 624 ND2 ASN A 38 -0.333 -15.029 -0.356 1.00 0.00 N ATOM 0 H ASN A 38 -1.086 -13.601 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.607 -11.862 -1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.308 -12.836 -1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.405 -11.952 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.635 -15.922 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.577 -14.953 -0.811 1.00 0.00 H new ATOM 631 N CYS A 39 -0.762 -10.419 -3.544 1.00 0.00 N ATOM 632 CA CYS A 39 -0.098 -9.201 -4.048 1.00 0.00 C ATOM 633 C CYS A 39 1.140 -8.822 -3.203 1.00 0.00 C ATOM 634 O CYS A 39 1.211 -7.740 -2.623 1.00 0.00 O ATOM 635 CB CYS A 39 -1.123 -8.060 -4.196 1.00 0.00 C ATOM 636 SG CYS A 39 -2.305 -8.469 -5.514 1.00 0.00 S ATOM 0 H CYS A 39 -0.894 -11.123 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 39 0.297 -9.403 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.651 -7.908 -3.255 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.612 -7.126 -4.429 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.139 -9.706 -5.877 1.00 0.00 H new ATOM 642 N ALA A 40 2.110 -9.737 -3.093 1.00 0.00 N ATOM 643 CA ALA A 40 3.307 -9.546 -2.265 1.00 0.00 C ATOM 644 C ALA A 40 4.198 -8.384 -2.766 1.00 0.00 C ATOM 645 O ALA A 40 4.443 -8.288 -3.970 1.00 0.00 O ATOM 646 CB ALA A 40 4.078 -10.872 -2.204 1.00 0.00 C ATOM 0 H ALA A 40 2.087 -10.634 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 40 2.996 -9.258 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.971 -10.746 -1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.443 -11.642 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.368 -11.171 -3.211 1.00 0.00 H new ATOM 652 N VAL A 41 4.716 -7.540 -1.856 1.00 0.00 N ATOM 653 CA VAL A 41 5.714 -6.490 -2.192 1.00 0.00 C ATOM 654 C VAL A 41 6.975 -7.155 -2.757 1.00 0.00 C ATOM 655 O VAL A 41 7.572 -8.011 -2.103 1.00 0.00 O ATOM 656 CB VAL A 41 6.107 -5.547 -1.014 1.00 0.00 C ATOM 657 CG1 VAL A 41 6.988 -4.387 -1.488 1.00 0.00 C ATOM 658 CG2 VAL A 41 4.857 -4.948 -0.350 1.00 0.00 C ATOM 0 H VAL A 41 4.461 -7.560 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 41 5.230 -5.848 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 41 6.660 -6.158 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.241 -3.752 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.902 -4.782 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.448 -3.801 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.158 -4.294 0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.294 -4.373 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.231 -5.751 0.039 1.00 0.00 H new ATOM 668 N ILE A 42 7.368 -6.749 -3.967 1.00 0.00 N ATOM 669 CA ILE A 42 8.605 -7.180 -4.648 1.00 0.00 C ATOM 670 C ILE A 42 9.689 -6.098 -4.637 1.00 0.00 C ATOM 671 O ILE A 42 10.863 -6.409 -4.848 1.00 0.00 O ATOM 672 CB ILE A 42 8.325 -7.631 -6.102 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.644 -6.543 -6.963 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.513 -8.933 -6.079 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.551 -6.900 -8.450 1.00 0.00 C ATOM 0 H ILE A 42 6.821 -6.091 -4.522 1.00 0.00 H new ATOM 0 HA ILE A 42 8.980 -8.032 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 42 9.285 -7.810 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.640 -6.364 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.197 -5.610 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.313 -9.255 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.079 -9.706 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.569 -8.764 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.062 -6.089 -8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.553 -7.050 -8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.972 -7.816 -8.569 1.00 0.00 H new ATOM 687 N TYR A 43 9.309 -4.842 -4.382 1.00 0.00 N ATOM 688 CA TYR A 43 10.228 -3.710 -4.300 1.00 0.00 C ATOM 689 C TYR A 43 9.650 -2.553 -3.477 1.00 0.00 C ATOM 690 O TYR A 43 8.457 -2.270 -3.544 1.00 0.00 O ATOM 691 CB TYR A 43 10.580 -3.228 -5.718 1.00 0.00 C ATOM 692 CG TYR A 43 11.842 -2.389 -5.769 1.00 0.00 C ATOM 693 CD1 TYR A 43 13.091 -2.985 -5.503 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.767 -1.006 -6.026 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.260 -2.203 -5.488 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.934 -0.218 -6.017 1.00 0.00 C ATOM 697 CZ TYR A 43 14.186 -0.814 -5.741 1.00 0.00 C ATOM 698 OH TYR A 43 15.320 -0.059 -5.706 1.00 0.00 O ATOM 0 H TYR A 43 8.335 -4.582 -4.224 1.00 0.00 H new ATOM 0 HA TYR A 43 11.129 -4.049 -3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.701 -4.094 -6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.748 -2.645 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.151 -4.046 -5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.811 -0.548 -6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.215 -2.664 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.873 0.841 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 43 15.097 0.875 -5.903 1.00 0.00 H new ATOM 708 N CYS A 44 10.501 -1.833 -2.753 1.00 0.00 N ATOM 709 CA CYS A 44 10.148 -0.599 -2.032 1.00 0.00 C ATOM 710 C CYS A 44 11.052 0.576 -2.448 1.00 0.00 C ATOM 711 O CYS A 44 12.182 0.334 -2.875 1.00 0.00 O ATOM 712 CB CYS A 44 10.217 -0.844 -0.510 1.00 0.00 C ATOM 713 SG CYS A 44 9.538 -2.449 0.006 1.00 0.00 S ATOM 0 H CYS A 44 11.482 -2.092 -2.644 1.00 0.00 H new ATOM 0 HA CYS A 44 9.127 -0.325 -2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.256 -0.779 -0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.674 -0.049 0.002 1.00 0.00 H new ATOM 0 HG CYS A 44 9.639 -2.568 1.297 1.00 0.00 H new ATOM 719 N ASN A 45 10.603 1.827 -2.283 1.00 0.00 N ATOM 720 CA ASN A 45 11.467 3.010 -2.488 1.00 0.00 C ATOM 721 C ASN A 45 12.486 3.180 -1.319 1.00 0.00 C ATOM 722 O ASN A 45 12.854 2.206 -0.667 1.00 0.00 O ATOM 723 CB ASN A 45 10.558 4.242 -2.723 1.00 0.00 C ATOM 724 CG ASN A 45 11.244 5.423 -3.420 1.00 0.00 C ATOM 725 OD1 ASN A 45 12.453 5.457 -3.613 1.00 0.00 O ATOM 726 ND2 ASN A 45 10.500 6.452 -3.777 1.00 0.00 N ATOM 0 H ASN A 45 9.647 2.052 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 45 12.090 2.884 -3.374 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.700 3.934 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.172 4.580 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.932 7.268 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.492 6.432 -3.620 1.00 0.00 H new ATOM 733 N ASP A 46 12.913 4.409 -1.000 1.00 0.00 N ATOM 734 CA ASP A 46 13.581 4.774 0.266 1.00 0.00 C ATOM 735 C ASP A 46 12.766 5.775 1.110 1.00 0.00 C ATOM 736 O ASP A 46 12.942 5.840 2.326 1.00 0.00 O ATOM 737 CB ASP A 46 14.960 5.374 -0.040 1.00 0.00 C ATOM 738 CG ASP A 46 15.935 4.338 -0.621 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.497 3.536 0.165 1.00 0.00 O ATOM 740 OD2 ASP A 46 16.164 4.344 -1.855 1.00 0.00 O ATOM 0 H ASP A 46 12.802 5.203 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 46 13.676 3.860 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.846 6.197 -0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.382 5.793 0.874 1.00 0.00 H new ATOM 745 N GLY A 47 11.841 6.525 0.495 1.00 0.00 N ATOM 746 CA GLY A 47 11.020 7.542 1.171 1.00 0.00 C ATOM 747 C GLY A 47 9.935 6.932 2.051 1.00 0.00 C ATOM 748 O GLY A 47 9.626 7.458 3.118 1.00 0.00 O ATOM 0 H GLY A 47 11.638 6.442 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.664 8.176 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.556 8.185 0.423 1.00 0.00 H new ATOM 752 N PHE A 48 9.388 5.785 1.625 1.00 0.00 N ATOM 753 CA PHE A 48 8.368 5.026 2.360 1.00 0.00 C ATOM 754 C PHE A 48 8.868 4.608 3.762 1.00 0.00 C ATOM 755 O PHE A 48 8.122 4.685 4.734 1.00 0.00 O ATOM 756 CB PHE A 48 7.930 3.808 1.503 1.00 0.00 C ATOM 757 CG PHE A 48 8.804 2.572 1.671 1.00 0.00 C ATOM 758 CD1 PHE A 48 10.170 2.603 1.326 1.00 0.00 C ATOM 759 CD2 PHE A 48 8.288 1.443 2.330 1.00 0.00 C ATOM 760 CE1 PHE A 48 11.030 1.577 1.761 1.00 0.00 C ATOM 761 CE2 PHE A 48 9.145 0.405 2.727 1.00 0.00 C ATOM 762 CZ PHE A 48 10.520 0.483 2.473 1.00 0.00 C ATOM 0 H PHE A 48 9.649 5.350 0.740 1.00 0.00 H new ATOM 0 HA PHE A 48 7.499 5.661 2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.903 3.549 1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.932 4.099 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.557 3.414 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.229 1.374 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.087 1.633 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.741 -0.460 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.183 -0.294 2.823 1.00 0.00 H new ATOM 772 N CYS A 49 10.151 4.237 3.877 1.00 0.00 N ATOM 773 CA CYS A 49 10.818 3.837 5.124 1.00 0.00 C ATOM 774 C CYS A 49 10.695 4.921 6.210 1.00 0.00 C ATOM 775 O CYS A 49 10.202 4.653 7.307 1.00 0.00 O ATOM 776 CB CYS A 49 12.273 3.491 4.767 1.00 0.00 C ATOM 777 SG CYS A 49 13.265 3.166 6.248 1.00 0.00 S ATOM 0 H CYS A 49 10.777 4.206 3.072 1.00 0.00 H new ATOM 0 HA CYS A 49 10.337 2.962 5.561 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.290 2.616 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.716 4.314 4.205 1.00 0.00 H new ATOM 0 HG CYS A 49 12.609 2.375 7.045 1.00 0.00 H new ATOM 783 N GLU A 50 11.057 6.161 5.872 1.00 0.00 N ATOM 784 CA GLU A 50 10.978 7.315 6.779 1.00 0.00 C ATOM 785 C GLU A 50 9.535 7.748 7.101 1.00 0.00 C ATOM 786 O GLU A 50 9.306 8.445 8.093 1.00 0.00 O ATOM 787 CB GLU A 50 11.747 8.498 6.173 1.00 0.00 C ATOM 788 CG GLU A 50 13.238 8.180 6.019 1.00 0.00 C ATOM 789 CD GLU A 50 14.035 9.440 5.649 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.094 9.797 4.448 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.614 10.084 6.556 1.00 0.00 O ATOM 0 H GLU A 50 11.419 6.398 4.948 1.00 0.00 H new ATOM 0 HA GLU A 50 11.427 7.002 7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.325 8.747 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.625 9.376 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.622 7.763 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.374 7.420 5.249 1.00 0.00 H new ATOM 798 N LEU A 51 8.557 7.329 6.290 1.00 0.00 N ATOM 799 CA LEU A 51 7.134 7.631 6.481 1.00 0.00 C ATOM 800 C LEU A 51 6.558 6.957 7.735 1.00 0.00 C ATOM 801 O LEU A 51 5.834 7.595 8.496 1.00 0.00 O ATOM 802 CB LEU A 51 6.365 7.193 5.214 1.00 0.00 C ATOM 803 CG LEU A 51 5.085 8.000 4.938 1.00 0.00 C ATOM 804 CD1 LEU A 51 5.464 9.458 4.641 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.334 7.378 3.754 1.00 0.00 C ATOM 0 H LEU A 51 8.737 6.758 5.464 1.00 0.00 H new ATOM 0 HA LEU A 51 7.022 8.704 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.028 7.280 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.102 6.139 5.309 1.00 0.00 H new ATOM 0 HG LEU A 51 4.431 7.979 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.561 10.036 4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.985 9.881 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.115 9.494 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.427 7.949 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.971 7.394 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.070 6.348 3.992 1.00 0.00 H new ATOM 817 N CYS A 52 6.894 5.679 7.948 1.00 0.00 N ATOM 818 CA CYS A 52 6.367 4.856 9.052 1.00 0.00 C ATOM 819 C CYS A 52 7.414 4.463 10.113 1.00 0.00 C ATOM 820 O CYS A 52 7.036 4.137 11.239 1.00 0.00 O ATOM 821 CB CYS A 52 5.707 3.605 8.451 1.00 0.00 C ATOM 822 SG CYS A 52 4.340 4.076 7.350 1.00 0.00 S ATOM 0 H CYS A 52 7.550 5.176 7.350 1.00 0.00 H new ATOM 0 HA CYS A 52 5.642 5.466 9.591 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.446 3.027 7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.335 2.963 9.250 1.00 0.00 H new ATOM 0 HG CYS A 52 3.935 3.032 6.690 1.00 0.00 H new ATOM 828 N GLY A 53 8.712 4.483 9.787 1.00 0.00 N ATOM 829 CA GLY A 53 9.804 4.092 10.694 1.00 0.00 C ATOM 830 C GLY A 53 10.130 2.594 10.676 1.00 0.00 C ATOM 831 O GLY A 53 10.817 2.112 11.577 1.00 0.00 O ATOM 0 H GLY A 53 9.042 4.777 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.701 4.651 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.539 4.382 11.711 1.00 0.00 H new ATOM 835 N TYR A 54 9.634 1.851 9.680 1.00 0.00 N ATOM 836 CA TYR A 54 9.970 0.440 9.435 1.00 0.00 C ATOM 837 C TYR A 54 11.226 0.293 8.536 1.00 0.00 C ATOM 838 O TYR A 54 12.052 1.202 8.485 1.00 0.00 O ATOM 839 CB TYR A 54 8.700 -0.284 8.937 1.00 0.00 C ATOM 840 CG TYR A 54 7.906 0.323 7.787 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.521 1.067 6.760 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.514 0.110 7.741 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.750 1.605 5.714 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.741 0.627 6.683 1.00 0.00 C ATOM 845 CZ TYR A 54 6.355 1.390 5.668 1.00 0.00 C ATOM 846 OH TYR A 54 5.618 1.906 4.643 1.00 0.00 O ATOM 0 H TYR A 54 8.969 2.223 9.002 1.00 0.00 H new ATOM 0 HA TYR A 54 10.273 -0.056 10.357 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.991 -1.292 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.024 -0.385 9.786 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.589 1.225 6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.034 -0.456 8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.228 2.187 4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.678 0.439 6.649 1.00 0.00 H new ATOM 0 HH TYR A 54 4.676 1.664 4.763 1.00 0.00 H new ATOM 856 N SER A 55 11.370 -0.823 7.811 1.00 0.00 N ATOM 857 CA SER A 55 12.490 -1.093 6.887 1.00 0.00 C ATOM 858 C SER A 55 12.031 -2.011 5.743 1.00 0.00 C ATOM 859 O SER A 55 11.067 -2.769 5.909 1.00 0.00 O ATOM 860 CB SER A 55 13.661 -1.774 7.630 1.00 0.00 C ATOM 861 OG SER A 55 14.222 -0.958 8.653 1.00 0.00 O ATOM 0 H SER A 55 10.695 -1.587 7.848 1.00 0.00 H new ATOM 0 HA SER A 55 12.824 -0.138 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.311 -2.708 8.069 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.439 -2.032 6.911 1.00 0.00 H new ATOM 0 HG SER A 55 14.956 -1.439 9.089 1.00 0.00 H new ATOM 867 N ARG A 56 12.755 -2.030 4.609 1.00 0.00 N ATOM 868 CA ARG A 56 12.466 -2.932 3.477 1.00 0.00 C ATOM 869 C ARG A 56 12.321 -4.389 3.941 1.00 0.00 C ATOM 870 O ARG A 56 11.314 -5.007 3.638 1.00 0.00 O ATOM 871 CB ARG A 56 13.523 -2.762 2.362 1.00 0.00 C ATOM 872 CG ARG A 56 13.271 -3.718 1.177 1.00 0.00 C ATOM 873 CD ARG A 56 14.292 -3.598 0.042 1.00 0.00 C ATOM 874 NE ARG A 56 14.056 -2.419 -0.813 1.00 0.00 N ATOM 875 CZ ARG A 56 14.984 -1.817 -1.560 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.231 -2.242 -1.599 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.688 -0.775 -2.303 1.00 0.00 N ATOM 0 H ARG A 56 13.557 -1.420 4.451 1.00 0.00 H new ATOM 0 HA ARG A 56 11.503 -2.653 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.512 -1.732 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.516 -2.947 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.274 -4.744 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.276 -3.527 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.295 -3.540 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.256 -4.499 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 56 13.111 -2.035 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.511 -3.053 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.916 -1.759 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.735 -0.412 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.411 -0.329 -2.867 1.00 0.00 H new ATOM 891 N ALA A 57 13.231 -4.905 4.770 1.00 0.00 N ATOM 892 CA ALA A 57 13.165 -6.268 5.329 1.00 0.00 C ATOM 893 C ALA A 57 11.844 -6.602 6.065 1.00 0.00 C ATOM 894 O ALA A 57 11.439 -7.765 6.094 1.00 0.00 O ATOM 895 CB ALA A 57 14.372 -6.440 6.261 1.00 0.00 C ATOM 0 H ALA A 57 14.051 -4.383 5.080 1.00 0.00 H new ATOM 0 HA ALA A 57 13.191 -6.973 4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.357 -7.440 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 15.292 -6.305 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.325 -5.698 7.058 1.00 0.00 H new ATOM 901 N GLU A 58 11.161 -5.595 6.625 1.00 0.00 N ATOM 902 CA GLU A 58 9.894 -5.740 7.358 1.00 0.00 C ATOM 903 C GLU A 58 8.668 -5.572 6.446 1.00 0.00 C ATOM 904 O GLU A 58 7.643 -6.216 6.673 1.00 0.00 O ATOM 905 CB GLU A 58 9.813 -4.684 8.473 1.00 0.00 C ATOM 906 CG GLU A 58 11.051 -4.637 9.372 1.00 0.00 C ATOM 907 CD GLU A 58 11.249 -5.936 10.171 1.00 0.00 C ATOM 908 OE1 GLU A 58 10.436 -6.219 11.082 1.00 0.00 O ATOM 909 OE2 GLU A 58 12.229 -6.672 9.908 1.00 0.00 O ATOM 0 H GLU A 58 11.483 -4.628 6.580 1.00 0.00 H new ATOM 0 HA GLU A 58 9.881 -6.749 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.666 -3.703 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.936 -4.886 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.934 -4.453 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.962 -3.799 10.063 1.00 0.00 H new ATOM 916 N VAL A 59 8.770 -4.701 5.432 1.00 0.00 N ATOM 917 CA VAL A 59 7.696 -4.409 4.458 1.00 0.00 C ATOM 918 C VAL A 59 7.736 -5.370 3.249 1.00 0.00 C ATOM 919 O VAL A 59 6.743 -5.519 2.539 1.00 0.00 O ATOM 920 CB VAL A 59 7.741 -2.919 4.039 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.640 -2.531 3.031 1.00 0.00 C ATOM 922 CG2 VAL A 59 7.574 -2.044 5.292 1.00 0.00 C ATOM 0 H VAL A 59 9.620 -4.165 5.258 1.00 0.00 H new ATOM 0 HA VAL A 59 6.736 -4.585 4.943 1.00 0.00 H new ATOM 0 HB VAL A 59 8.703 -2.759 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.731 -1.474 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.749 -3.128 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.661 -2.716 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.604 -0.992 5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.617 -2.265 5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.382 -2.254 5.993 1.00 0.00 H new ATOM 932 N MET A 60 8.845 -6.084 3.038 1.00 0.00 N ATOM 933 CA MET A 60 8.948 -7.165 2.043 1.00 0.00 C ATOM 934 C MET A 60 8.197 -8.424 2.505 1.00 0.00 C ATOM 935 O MET A 60 8.086 -8.687 3.703 1.00 0.00 O ATOM 936 CB MET A 60 10.420 -7.482 1.734 1.00 0.00 C ATOM 937 CG MET A 60 11.035 -6.404 0.831 1.00 0.00 C ATOM 938 SD MET A 60 10.448 -6.350 -0.886 1.00 0.00 S ATOM 939 CE MET A 60 11.200 -7.870 -1.523 1.00 0.00 C ATOM 0 H MET A 60 9.709 -5.929 3.557 1.00 0.00 H new ATOM 0 HA MET A 60 8.475 -6.820 1.124 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.985 -7.549 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.492 -8.454 1.247 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.848 -5.431 1.286 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.116 -6.547 0.817 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.075 -7.912 -2.605 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.262 -7.880 -1.280 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.716 -8.734 -1.068 1.00 0.00 H new ATOM 949 N GLN A 61 7.649 -9.178 1.540 1.00 0.00 N ATOM 950 CA GLN A 61 6.813 -10.383 1.744 1.00 0.00 C ATOM 951 C GLN A 61 5.411 -10.059 2.312 1.00 0.00 C ATOM 952 O GLN A 61 4.599 -10.954 2.542 1.00 0.00 O ATOM 953 CB GLN A 61 7.610 -11.445 2.545 1.00 0.00 C ATOM 954 CG GLN A 61 7.203 -12.916 2.313 1.00 0.00 C ATOM 955 CD GLN A 61 6.089 -13.437 3.232 1.00 0.00 C ATOM 956 OE1 GLN A 61 6.088 -13.241 4.444 1.00 0.00 O ATOM 957 NE2 GLN A 61 5.119 -14.159 2.707 1.00 0.00 N ATOM 0 H GLN A 61 7.779 -8.960 0.552 1.00 0.00 H new ATOM 0 HA GLN A 61 6.589 -10.824 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.667 -11.338 2.299 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.506 -11.223 3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.881 -13.029 1.278 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.084 -13.545 2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.100 -14.334 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.387 -14.542 3.305 1.00 0.00 H new ATOM 966 N ARG A 62 5.090 -8.768 2.468 1.00 0.00 N ATOM 967 CA ARG A 62 3.772 -8.271 2.894 1.00 0.00 C ATOM 968 C ARG A 62 2.810 -8.217 1.700 1.00 0.00 C ATOM 969 O ARG A 62 3.281 -7.979 0.583 1.00 0.00 O ATOM 970 CB ARG A 62 3.884 -6.855 3.494 1.00 0.00 C ATOM 971 CG ARG A 62 4.726 -6.761 4.769 1.00 0.00 C ATOM 972 CD ARG A 62 4.076 -7.395 6.001 1.00 0.00 C ATOM 973 NE ARG A 62 4.972 -7.222 7.155 1.00 0.00 N ATOM 974 CZ ARG A 62 4.677 -7.362 8.440 1.00 0.00 C ATOM 975 NH1 ARG A 62 3.493 -7.766 8.855 1.00 0.00 N ATOM 976 NH2 ARG A 62 5.601 -7.091 9.334 1.00 0.00 N ATOM 0 H ARG A 62 5.759 -8.017 2.297 1.00 0.00 H new ATOM 0 HA ARG A 62 3.392 -8.957 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.312 -6.191 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.881 -6.487 3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.688 -7.243 4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.929 -5.711 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.111 -6.929 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.888 -8.454 5.825 1.00 0.00 H new ATOM 0 HE ARG A 62 5.935 -6.963 6.941 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.762 -7.984 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.307 -7.860 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.525 -6.779 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.394 -7.192 10.328 1.00 0.00 H new ATOM 990 N PRO A 63 1.483 -8.293 1.922 1.00 0.00 N ATOM 991 CA PRO A 63 0.463 -8.185 0.874 1.00 0.00 C ATOM 992 C PRO A 63 0.206 -6.758 0.331 1.00 0.00 C ATOM 993 O PRO A 63 -0.784 -6.553 -0.367 1.00 0.00 O ATOM 994 CB PRO A 63 -0.790 -8.828 1.483 1.00 0.00 C ATOM 995 CG PRO A 63 -0.640 -8.628 2.984 1.00 0.00 C ATOM 996 CD PRO A 63 0.869 -8.632 3.206 1.00 0.00 C ATOM 0 HA PRO A 63 0.803 -8.694 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.698 -8.355 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.854 -9.886 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.089 -7.689 3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.128 -9.426 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.150 -7.909 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.207 -9.609 3.551 1.00 0.00 H new ATOM 1004 N CYS A 64 1.057 -5.759 0.645 1.00 0.00 N ATOM 1005 CA CYS A 64 1.120 -4.426 0.004 1.00 0.00 C ATOM 1006 C CYS A 64 -0.035 -3.470 0.387 1.00 0.00 C ATOM 1007 O CYS A 64 0.095 -2.250 0.266 1.00 0.00 O ATOM 1008 CB CYS A 64 1.256 -4.630 -1.517 1.00 0.00 C ATOM 1009 SG CYS A 64 1.852 -3.122 -2.321 1.00 0.00 S ATOM 0 H CYS A 64 1.751 -5.863 1.385 1.00 0.00 H new ATOM 0 HA CYS A 64 1.998 -3.906 0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.945 -5.450 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.291 -4.914 -1.937 1.00 0.00 H new ATOM 0 HG CYS A 64 3.135 -3.210 -2.511 1.00 0.00 H new ATOM 1015 N THR A 65 -1.127 -4.009 0.943 1.00 0.00 N ATOM 1016 CA THR A 65 -2.246 -3.270 1.549 1.00 0.00 C ATOM 1017 C THR A 65 -1.828 -2.430 2.755 1.00 0.00 C ATOM 1018 O THR A 65 -2.531 -1.475 3.087 1.00 0.00 O ATOM 1019 CB THR A 65 -3.346 -4.243 1.991 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.757 -5.214 2.833 1.00 0.00 O ATOM 1021 CG2 THR A 65 -4.008 -4.951 0.807 1.00 0.00 C ATOM 0 H THR A 65 -1.263 -5.019 0.986 1.00 0.00 H new ATOM 0 HA THR A 65 -2.612 -2.591 0.779 1.00 0.00 H new ATOM 0 HB THR A 65 -4.120 -3.674 2.506 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.442 -5.848 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.779 -5.629 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.459 -4.211 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.258 -5.519 0.257 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.715 -2.791 3.416 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.207 -2.142 4.635 1.00 0.00 C ATOM 1031 C CYS A 66 -1.229 -2.151 5.795 1.00 0.00 C ATOM 1032 O CYS A 66 -1.193 -1.291 6.674 1.00 0.00 O ATOM 1033 CB CYS A 66 0.353 -0.754 4.282 1.00 0.00 C ATOM 1034 SG CYS A 66 1.875 -0.940 3.304 1.00 0.00 S ATOM 0 H CYS A 66 -0.127 -3.565 3.107 1.00 0.00 H new ATOM 0 HA CYS A 66 0.621 -2.730 5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.386 -0.185 3.718 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.560 -0.192 5.193 1.00 0.00 H new ATOM 0 HG CYS A 66 2.001 0.074 2.501 1.00 0.00 H new ATOM 1040 N ASP A 67 -2.112 -3.158 5.830 1.00 0.00 N ATOM 1041 CA ASP A 67 -3.130 -3.339 6.874 1.00 0.00 C ATOM 1042 C ASP A 67 -2.513 -3.416 8.281 1.00 0.00 C ATOM 1043 O ASP A 67 -3.101 -2.932 9.248 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.928 -4.613 6.562 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.989 -4.910 7.636 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -6.084 -4.303 7.582 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -4.727 -5.757 8.523 1.00 0.00 O ATOM 0 H ASP A 67 -2.139 -3.886 5.117 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.789 -2.471 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.414 -4.507 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.244 -5.458 6.485 1.00 0.00 H new ATOM 1052 N PHE A 68 -1.294 -3.957 8.385 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.526 -4.063 9.626 1.00 0.00 C ATOM 1054 C PHE A 68 -0.196 -2.706 10.288 1.00 0.00 C ATOM 1055 O PHE A 68 0.208 -2.683 11.452 1.00 0.00 O ATOM 1056 CB PHE A 68 0.741 -4.896 9.355 1.00 0.00 C ATOM 1057 CG PHE A 68 1.725 -4.293 8.365 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.729 -3.414 8.813 1.00 0.00 C ATOM 1059 CD2 PHE A 68 1.655 -4.629 6.998 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.651 -2.870 7.902 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.580 -4.083 6.088 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.576 -3.200 6.538 1.00 0.00 C ATOM 0 H PHE A 68 -0.801 -4.345 7.581 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.155 -4.567 10.359 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.258 -5.057 10.301 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.438 -5.876 8.987 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.791 -3.157 9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.890 -5.307 6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.419 -2.196 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.524 -4.343 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.281 -2.776 5.838 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.391 -1.579 9.585 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.231 -0.224 10.124 1.00 0.00 C ATOM 1074 C LEU A 69 -1.469 0.305 10.875 1.00 0.00 C ATOM 1075 O LEU A 69 -1.421 1.425 11.388 1.00 0.00 O ATOM 1076 CB LEU A 69 0.153 0.746 8.991 1.00 0.00 C ATOM 1077 CG LEU A 69 1.461 0.421 8.244 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.688 1.489 7.168 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.666 0.376 9.195 1.00 0.00 C ATOM 0 H LEU A 69 -0.671 -1.588 8.604 1.00 0.00 H new ATOM 0 HA LEU A 69 0.566 -0.283 10.865 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.661 0.769 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.235 1.749 9.409 1.00 0.00 H new ATOM 0 HG LEU A 69 1.367 -0.566 7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.611 1.273 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.851 1.485 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.763 2.469 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.568 0.144 8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.782 1.345 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.504 -0.393 9.951 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.575 -0.444 10.943 1.00 0.00 N ATOM 1092 CA HIS A 70 -3.773 -0.002 11.656 1.00 0.00 C ATOM 1093 C HIS A 70 -3.534 0.270 13.161 1.00 0.00 C ATOM 1094 O HIS A 70 -2.794 -0.446 13.847 1.00 0.00 O ATOM 1095 CB HIS A 70 -4.938 -0.985 11.430 1.00 0.00 C ATOM 1096 CG HIS A 70 -4.853 -2.299 12.173 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -4.429 -3.503 11.660 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -5.271 -2.542 13.456 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -4.569 -4.442 12.609 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -5.083 -3.903 13.733 1.00 0.00 N ATOM 0 H HIS A 70 -2.663 -1.363 10.510 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.048 0.963 11.229 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.866 -0.489 11.715 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.005 -1.198 10.363 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -4.069 -3.656 10.718 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.676 -1.809 14.138 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.307 -5.483 12.489 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.208 1.305 13.671 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.335 1.645 15.093 1.00 0.00 C ATOM 1110 C GLY A 71 -5.810 1.736 15.522 1.00 0.00 C ATOM 1111 O GLY A 71 -6.683 1.242 14.801 1.00 0.00 O ATOM 0 H GLY A 71 -4.706 1.963 13.072 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.826 0.892 15.695 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.839 2.596 15.286 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.119 2.389 16.661 1.00 0.00 N ATOM 1116 CA PRO A 72 -7.495 2.584 17.122 1.00 0.00 C ATOM 1117 C PRO A 72 -8.291 3.577 16.253 1.00 0.00 C ATOM 1118 O PRO A 72 -9.522 3.535 16.268 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.364 3.074 18.570 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.016 3.794 18.585 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.175 2.970 17.610 1.00 0.00 C ATOM 0 HA PRO A 72 -8.063 1.657 17.049 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.180 3.744 18.842 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.384 2.245 19.277 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.109 4.831 18.262 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.578 3.809 19.583 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.443 3.596 17.100 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.619 2.192 18.134 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.614 4.447 15.484 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.249 5.455 14.615 1.00 0.00 C ATOM 1131 C ARG A 73 -8.573 4.934 13.200 1.00 0.00 C ATOM 1132 O ARG A 73 -9.278 5.613 12.447 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.351 6.705 14.539 1.00 0.00 C ATOM 1134 CG ARG A 73 -7.149 7.355 15.919 1.00 0.00 C ATOM 1135 CD ARG A 73 -6.371 8.674 15.819 1.00 0.00 C ATOM 1136 NE ARG A 73 -6.130 9.255 17.155 1.00 0.00 N ATOM 1137 CZ ARG A 73 -6.980 9.968 17.890 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -8.199 10.259 17.479 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -6.606 10.405 19.073 1.00 0.00 N ATOM 0 H ARG A 73 -6.595 4.471 15.448 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.209 5.706 15.066 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.382 6.430 14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.796 7.430 13.858 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.120 7.539 16.380 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.613 6.665 16.571 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.419 8.500 15.318 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.929 9.383 15.207 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.208 9.091 17.560 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.521 9.935 16.567 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.820 10.808 18.073 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.670 10.197 19.421 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.252 10.952 19.642 1.00 0.00 H new ATOM 1153 N THR A 74 -8.050 3.759 12.812 1.00 0.00 N ATOM 1154 CA THR A 74 -8.183 3.178 11.462 1.00 0.00 C ATOM 1155 C THR A 74 -9.608 2.673 11.232 1.00 0.00 C ATOM 1156 O THR A 74 -10.212 2.082 12.128 1.00 0.00 O ATOM 1157 CB THR A 74 -7.151 2.061 11.255 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.894 2.551 11.650 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.042 1.630 9.795 1.00 0.00 C ATOM 0 H THR A 74 -7.508 3.170 13.444 1.00 0.00 H new ATOM 0 HA THR A 74 -7.985 3.956 10.725 1.00 0.00 H new ATOM 0 HB THR A 74 -7.469 1.199 11.842 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.459 2.988 10.888 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.299 0.838 9.704 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.009 1.262 9.451 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.741 2.482 9.186 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.148 2.910 10.033 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.517 2.538 9.654 1.00 0.00 C ATOM 1169 C GLN A 75 -11.509 1.283 8.769 1.00 0.00 C ATOM 1170 O GLN A 75 -10.788 1.223 7.770 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.189 3.723 8.940 1.00 0.00 C ATOM 1172 CG GLN A 75 -12.595 4.815 9.949 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.909 6.138 9.256 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -14.052 6.487 8.983 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.893 6.913 8.934 1.00 0.00 N ATOM 0 H GLN A 75 -9.637 3.375 9.283 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.090 2.301 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.506 4.141 8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.070 3.375 8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.467 4.483 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.789 4.963 10.668 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.941 6.626 9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.059 7.800 8.459 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.350 0.295 9.102 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.397 -1.007 8.416 1.00 0.00 C ATOM 1186 C ARG A 76 -12.747 -0.875 6.924 1.00 0.00 C ATOM 1187 O ARG A 76 -12.165 -1.569 6.092 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.389 -1.923 9.165 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.321 -3.410 8.767 1.00 0.00 C ATOM 1190 CD ARG A 76 -11.997 -4.109 9.126 1.00 0.00 C ATOM 1191 NE ARG A 76 -11.714 -4.066 10.575 1.00 0.00 N ATOM 1192 CZ ARG A 76 -12.226 -4.854 11.518 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -13.081 -5.818 11.243 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -11.881 -4.675 12.775 1.00 0.00 N ATOM 0 H ARG A 76 -13.025 0.376 9.863 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.403 -1.454 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.202 -1.839 10.236 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.401 -1.560 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.140 -3.940 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.481 -3.493 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.036 -5.147 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.179 -3.633 8.584 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.054 -3.354 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.373 -5.981 10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.451 -6.401 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.224 -3.935 13.023 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.270 -5.276 13.501 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.630 0.070 6.566 1.00 0.00 N ATOM 1209 CA ARG A 77 -13.984 0.383 5.167 1.00 0.00 C ATOM 1210 C ARG A 77 -12.777 0.850 4.349 1.00 0.00 C ATOM 1211 O ARG A 77 -12.598 0.385 3.229 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.108 1.439 5.119 1.00 0.00 C ATOM 1213 CG ARG A 77 -16.480 0.915 5.576 1.00 0.00 C ATOM 1214 CD ARG A 77 -17.052 -0.160 4.641 1.00 0.00 C ATOM 1215 NE ARG A 77 -18.459 -0.461 4.967 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.917 -1.344 5.851 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -18.118 -2.096 6.580 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -20.215 -1.481 6.012 1.00 0.00 N ATOM 0 H ARG A 77 -14.126 0.647 7.246 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.340 -0.542 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -14.826 2.284 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.196 1.815 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.389 0.504 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.180 1.748 5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.980 0.179 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.456 -1.069 4.721 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.163 0.070 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -17.106 -2.014 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.511 -2.761 7.246 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.860 -0.913 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.577 -2.155 6.687 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.908 1.695 4.900 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.690 2.157 4.226 1.00 0.00 C ATOM 1234 C ALA A 78 -9.669 1.023 4.034 1.00 0.00 C ATOM 1235 O ALA A 78 -9.167 0.822 2.929 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.115 3.319 5.039 1.00 0.00 C ATOM 0 H ALA A 78 -12.028 2.084 5.835 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.933 2.498 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.206 3.684 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.847 4.125 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.882 2.977 6.047 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.434 0.219 5.077 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.587 -0.980 4.992 1.00 0.00 C ATOM 1244 C ALA A 79 -9.081 -1.971 3.919 1.00 0.00 C ATOM 1245 O ALA A 79 -8.276 -2.601 3.230 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.537 -1.620 6.386 1.00 0.00 C ATOM 0 H ALA A 79 -9.825 0.380 6.005 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.583 -0.696 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.914 -2.514 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.116 -0.910 7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.545 -1.891 6.698 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.404 -2.049 3.723 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.045 -2.853 2.685 1.00 0.00 C ATOM 1254 C ALA A 80 -10.870 -2.249 1.294 1.00 0.00 C ATOM 1255 O ALA A 80 -10.521 -2.973 0.366 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.534 -2.973 3.016 1.00 0.00 C ATOM 0 H ALA A 80 -11.072 -1.539 4.300 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.570 -3.834 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.030 -3.571 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.653 -3.454 3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.981 -1.979 3.046 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.088 -0.941 1.121 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.986 -0.308 -0.193 1.00 0.00 C ATOM 1264 C GLN A 81 -9.570 -0.435 -0.777 1.00 0.00 C ATOM 1265 O GLN A 81 -9.450 -0.639 -1.981 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.440 1.157 -0.127 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.910 1.441 0.231 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.899 0.305 -0.051 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -14.187 -0.038 -1.191 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.433 -0.335 0.972 1.00 0.00 N ATOM 0 H GLN A 81 -11.336 -0.302 1.876 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.656 -0.837 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.813 1.669 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.238 1.614 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.964 1.689 1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.234 2.324 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.200 -0.057 1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.079 -1.107 0.809 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.498 -0.414 0.033 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.137 -0.708 -0.470 1.00 0.00 C ATOM 1281 C ILE A 82 -7.012 -2.156 -0.981 1.00 0.00 C ATOM 1282 O ILE A 82 -6.345 -2.386 -1.986 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.076 -0.375 0.606 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.119 1.131 0.938 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.659 -0.736 0.119 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.405 1.501 2.235 1.00 0.00 C ATOM 0 H ILE A 82 -8.541 -0.199 1.029 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.951 -0.065 -1.330 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.306 -0.963 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.668 1.687 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.160 1.448 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.934 -0.491 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.610 -1.803 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.429 -0.170 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.480 2.576 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.869 0.975 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.355 1.217 2.166 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.683 -3.127 -0.354 1.00 0.00 N ATOM 1299 CA ALA A 83 -7.732 -4.510 -0.843 1.00 0.00 C ATOM 1300 C ALA A 83 -8.619 -4.662 -2.097 1.00 0.00 C ATOM 1301 O ALA A 83 -8.278 -5.428 -2.999 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.187 -5.420 0.306 1.00 0.00 C ATOM 0 H ALA A 83 -8.208 -2.977 0.508 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.734 -4.809 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.228 -6.452 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.480 -5.344 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.176 -5.111 0.645 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.724 -3.909 -2.196 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.570 -3.860 -3.399 1.00 0.00 C ATOM 1310 C GLN A 84 -9.843 -3.189 -4.574 1.00 0.00 C ATOM 1311 O GLN A 84 -10.011 -3.612 -5.712 1.00 0.00 O ATOM 1312 CB GLN A 84 -11.893 -3.119 -3.115 1.00 0.00 C ATOM 1313 CG GLN A 84 -12.817 -3.770 -2.069 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.295 -5.169 -2.462 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -14.225 -5.343 -3.239 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -12.678 -6.218 -1.953 1.00 0.00 N ATOM 0 H GLN A 84 -10.059 -3.313 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.792 -4.891 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.657 -2.108 -2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.444 -3.027 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.290 -3.829 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.685 -3.129 -1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.902 -6.088 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.977 -7.159 -2.208 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.982 -2.195 -4.327 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.204 -1.509 -5.362 1.00 0.00 C ATOM 1327 C ALA A 85 -7.292 -2.458 -6.175 1.00 0.00 C ATOM 1328 O ALA A 85 -6.931 -2.146 -7.310 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.401 -0.398 -4.680 1.00 0.00 C ATOM 0 H ALA A 85 -8.804 -1.840 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.890 -1.090 -6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.809 0.133 -5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.084 0.299 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.737 -0.834 -3.934 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.952 -3.627 -5.611 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.137 -4.676 -6.236 1.00 0.00 C ATOM 1337 C LEU A 86 -6.929 -5.599 -7.183 1.00 0.00 C ATOM 1338 O LEU A 86 -6.312 -6.332 -7.956 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.475 -5.519 -5.130 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.644 -4.734 -4.095 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.194 -5.685 -2.979 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.422 -4.048 -4.720 1.00 0.00 C ATOM 0 H LEU A 86 -7.251 -3.876 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.392 -4.173 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.255 -6.067 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.828 -6.259 -5.601 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.280 -3.947 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.606 -5.133 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.069 -6.115 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.586 -6.483 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.872 -3.510 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.773 -4.800 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.751 -3.347 -5.487 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.272 -5.592 -7.147 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.091 -6.346 -8.119 1.00 0.00 C ATOM 1356 C LEU A 87 -9.347 -5.557 -9.417 1.00 0.00 C ATOM 1357 O LEU A 87 -9.678 -6.155 -10.445 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.368 -6.902 -7.446 1.00 0.00 C ATOM 1359 CG LEU A 87 -11.595 -5.965 -7.336 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -12.546 -6.065 -8.538 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -12.400 -6.309 -6.074 1.00 0.00 C ATOM 0 H LEU A 87 -8.816 -5.074 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.518 -7.214 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.675 -7.792 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.102 -7.225 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.198 -4.951 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.384 -5.383 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.010 -5.798 -9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.919 -7.086 -8.623 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.263 -5.647 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.740 -7.343 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.769 -6.182 -5.194 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.166 -4.229 -9.385 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.365 -3.327 -10.524 1.00 0.00 C ATOM 1375 C GLY A 88 -8.192 -3.312 -11.511 1.00 0.00 C ATOM 1376 O GLY A 88 -7.094 -3.793 -11.222 1.00 0.00 O ATOM 0 H GLY A 88 -8.868 -3.741 -8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.271 -3.620 -11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.527 -2.316 -10.151 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.442 -2.719 -12.678 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.468 -2.483 -13.754 1.00 0.00 C ATOM 1382 C ALA A 89 -7.130 -0.987 -13.936 1.00 0.00 C ATOM 1383 O ALA A 89 -6.233 -0.644 -14.708 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.061 -3.073 -15.040 1.00 0.00 C ATOM 0 H ALA A 89 -9.372 -2.372 -12.914 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.524 -2.965 -13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.366 -2.918 -15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.232 -4.141 -14.905 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.007 -2.580 -15.264 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.851 -0.110 -13.235 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.719 1.348 -13.219 1.00 0.00 C ATOM 1392 C GLU A 90 -7.210 1.859 -11.853 1.00 0.00 C ATOM 1393 O GLU A 90 -7.214 1.133 -10.854 1.00 0.00 O ATOM 1394 CB GLU A 90 -9.067 2.000 -13.592 1.00 0.00 C ATOM 1395 CG GLU A 90 -10.266 1.621 -12.703 1.00 0.00 C ATOM 1396 CD GLU A 90 -10.887 0.266 -13.084 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.770 0.231 -13.975 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -10.489 -0.769 -12.499 1.00 0.00 O ATOM 0 H GLU A 90 -8.599 -0.424 -12.617 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.974 1.633 -13.961 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.945 3.083 -13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.305 1.734 -14.622 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.944 1.588 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.027 2.398 -12.777 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.759 3.115 -11.811 1.00 0.00 N ATOM 1406 CA GLU A 91 -6.245 3.782 -10.611 1.00 0.00 C ATOM 1407 C GLU A 91 -7.319 3.911 -9.513 1.00 0.00 C ATOM 1408 O GLU A 91 -8.490 4.194 -9.795 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.708 5.187 -10.950 1.00 0.00 C ATOM 1410 CG GLU A 91 -4.484 5.235 -11.880 1.00 0.00 C ATOM 1411 CD GLU A 91 -4.752 4.868 -13.355 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -5.922 4.892 -13.812 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -3.775 4.565 -14.078 1.00 0.00 O ATOM 0 H GLU A 91 -6.741 3.715 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.436 3.157 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.512 5.760 -11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.451 5.691 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.063 6.240 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.725 4.558 -11.488 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.894 3.771 -8.249 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.722 3.996 -7.052 1.00 0.00 C ATOM 1422 C ARG A 92 -6.926 4.689 -5.951 1.00 0.00 C ATOM 1423 O ARG A 92 -5.856 4.218 -5.563 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.265 2.658 -6.504 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.580 2.164 -7.120 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.765 3.107 -6.860 1.00 0.00 C ATOM 1427 NE ARG A 92 -12.027 2.534 -7.365 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.879 1.745 -6.713 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -12.663 1.337 -5.479 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.981 1.351 -7.314 1.00 0.00 N ATOM 0 H ARG A 92 -5.940 3.491 -8.023 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.552 4.636 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.505 1.891 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.406 2.759 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.448 2.046 -8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.814 1.178 -6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.852 3.298 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.581 4.067 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.276 2.770 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.817 1.625 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.342 0.733 -5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.176 1.650 -8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.641 0.747 -6.824 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.490 5.762 -5.398 1.00 0.00 N ATOM 1445 CA LYS A 93 -7.028 6.427 -4.174 1.00 0.00 C ATOM 1446 C LYS A 93 -7.955 6.095 -2.985 1.00 0.00 C ATOM 1447 O LYS A 93 -9.176 6.125 -3.129 1.00 0.00 O ATOM 1448 CB LYS A 93 -6.947 7.946 -4.405 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.172 8.317 -5.683 1.00 0.00 C ATOM 1450 CD LYS A 93 -5.722 9.782 -5.691 1.00 0.00 C ATOM 1451 CE LYS A 93 -6.916 10.743 -5.578 1.00 0.00 C ATOM 1452 NZ LYS A 93 -6.502 12.165 -5.735 1.00 0.00 N ATOM 0 H LYS A 93 -8.312 6.211 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.032 6.059 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.956 8.353 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.466 8.414 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.299 7.671 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.801 8.128 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.035 9.956 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.173 9.989 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.655 10.494 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.398 10.610 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.336 12.781 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.816 12.411 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.065 12.298 -6.669 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.381 5.791 -1.817 1.00 0.00 N ATOM 1467 CA VAL A 94 -8.104 5.508 -0.554 1.00 0.00 C ATOM 1468 C VAL A 94 -7.403 6.242 0.588 1.00 0.00 C ATOM 1469 O VAL A 94 -6.174 6.239 0.654 1.00 0.00 O ATOM 1470 CB VAL A 94 -8.186 3.988 -0.244 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.931 3.725 1.073 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.858 3.237 -1.389 1.00 0.00 C ATOM 0 H VAL A 94 -6.368 5.731 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.130 5.861 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.166 3.620 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.971 2.652 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.407 4.217 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.945 4.119 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.904 2.175 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.868 3.621 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.283 3.378 -2.304 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.177 6.868 1.477 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.665 7.584 2.648 1.00 0.00 C ATOM 1484 C GLU A 95 -7.814 6.732 3.920 1.00 0.00 C ATOM 1485 O GLU A 95 -8.888 6.189 4.173 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.414 8.922 2.769 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.869 9.820 3.882 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.661 11.136 3.959 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.543 11.981 3.041 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.418 11.331 4.940 1.00 0.00 O ATOM 0 H GLU A 95 -9.194 6.892 1.402 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.600 7.781 2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.351 9.453 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.470 8.724 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.928 9.299 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.816 10.034 3.700 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.754 6.615 4.730 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.668 5.678 5.871 1.00 0.00 C ATOM 1499 C ILE A 96 -5.689 6.179 6.948 1.00 0.00 C ATOM 1500 O ILE A 96 -4.724 6.865 6.626 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.293 4.263 5.346 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.411 3.197 6.456 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -4.904 4.237 4.686 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.339 1.754 5.946 1.00 0.00 C ATOM 0 H ILE A 96 -5.912 7.178 4.613 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.642 5.620 6.358 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.017 4.013 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.614 3.355 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.355 3.339 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.687 3.228 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.890 4.926 3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.150 4.539 5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.429 1.066 6.787 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.152 1.576 5.242 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.384 1.592 5.446 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.910 5.848 8.226 1.00 0.00 N ATOM 1517 CA ALA A 97 -4.970 6.174 9.305 1.00 0.00 C ATOM 1518 C ALA A 97 -3.922 5.064 9.506 1.00 0.00 C ATOM 1519 O ALA A 97 -4.278 3.907 9.734 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.754 6.467 10.590 1.00 0.00 C ATOM 0 H ALA A 97 -6.742 5.349 8.540 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.410 7.067 9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.058 6.709 11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.424 7.310 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.338 5.590 10.868 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.643 5.439 9.462 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.476 4.606 9.755 1.00 0.00 C ATOM 1528 C PHE A 98 -0.745 5.100 11.014 1.00 0.00 C ATOM 1529 O PHE A 98 -0.664 6.305 11.267 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.510 4.673 8.559 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.930 4.013 7.252 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -1.956 3.049 7.194 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.215 4.326 6.081 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.238 2.384 5.987 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.510 3.677 4.868 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.516 2.697 4.823 1.00 0.00 C ATOM 0 H PHE A 98 -2.378 6.390 9.205 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.811 3.583 9.929 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.311 5.724 8.351 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.434 4.225 8.869 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.529 2.820 8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.567 5.071 6.114 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.011 1.631 5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.036 3.932 3.972 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.734 2.186 3.897 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.172 4.175 11.788 1.00 0.00 N ATOM 1547 CA TYR A 99 0.748 4.501 12.888 1.00 0.00 C ATOM 1548 C TYR A 99 2.217 4.649 12.428 1.00 0.00 C ATOM 1549 O TYR A 99 2.635 4.067 11.421 1.00 0.00 O ATOM 1550 CB TYR A 99 0.596 3.491 14.042 1.00 0.00 C ATOM 1551 CG TYR A 99 1.590 2.338 14.077 1.00 0.00 C ATOM 1552 CD1 TYR A 99 1.661 1.421 13.012 1.00 0.00 C ATOM 1553 CD2 TYR A 99 2.454 2.188 15.181 1.00 0.00 C ATOM 1554 CE1 TYR A 99 2.580 0.355 13.049 1.00 0.00 C ATOM 1555 CE2 TYR A 99 3.385 1.134 15.219 1.00 0.00 C ATOM 1556 CZ TYR A 99 3.449 0.208 14.154 1.00 0.00 C ATOM 1557 OH TYR A 99 4.342 -0.820 14.199 1.00 0.00 O ATOM 0 H TYR A 99 -0.332 3.174 11.671 1.00 0.00 H new ATOM 0 HA TYR A 99 0.464 5.485 13.261 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.673 4.035 14.983 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.409 3.072 13.998 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.006 1.536 12.161 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.401 2.887 16.003 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.621 -0.351 12.233 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.051 1.033 16.063 1.00 0.00 H new ATOM 0 HH TYR A 99 4.860 -0.767 15.029 1.00 0.00 H new ATOM 1567 N ARG A 100 3.009 5.395 13.207 1.00 0.00 N ATOM 1568 CA ARG A 100 4.475 5.462 13.141 1.00 0.00 C ATOM 1569 C ARG A 100 5.075 4.600 14.264 1.00 0.00 C ATOM 1570 O ARG A 100 4.513 4.535 15.356 1.00 0.00 O ATOM 1571 CB ARG A 100 4.908 6.934 13.275 1.00 0.00 C ATOM 1572 CG ARG A 100 6.419 7.157 13.100 1.00 0.00 C ATOM 1573 CD ARG A 100 6.818 8.635 13.230 1.00 0.00 C ATOM 1574 NE ARG A 100 6.453 9.422 12.036 1.00 0.00 N ATOM 1575 CZ ARG A 100 7.134 9.480 10.894 1.00 0.00 C ATOM 1576 NH1 ARG A 100 8.221 8.766 10.689 1.00 0.00 N ATOM 1577 NH2 ARG A 100 6.732 10.277 9.928 1.00 0.00 N ATOM 0 H ARG A 100 2.627 5.998 13.936 1.00 0.00 H new ATOM 0 HA ARG A 100 4.836 5.076 12.188 1.00 0.00 H new ATOM 0 HB2 ARG A 100 4.375 7.528 12.533 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.607 7.303 14.255 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.957 6.572 13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 100 6.726 6.786 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.333 9.064 14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.893 8.705 13.394 1.00 0.00 H new ATOM 0 HE ARG A 100 5.597 9.974 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.567 8.143 11.419 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.717 8.836 9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.898 10.851 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.254 10.321 9.053 1.00 0.00 H new ATOM 1591 N LYS A 101 6.257 4.015 14.049 1.00 0.00 N ATOM 1592 CA LYS A 101 6.981 3.197 15.045 1.00 0.00 C ATOM 1593 C LYS A 101 7.224 3.905 16.401 1.00 0.00 C ATOM 1594 O LYS A 101 7.291 3.250 17.442 1.00 0.00 O ATOM 1595 CB LYS A 101 8.325 2.734 14.435 1.00 0.00 C ATOM 1596 CG LYS A 101 8.428 1.210 14.301 1.00 0.00 C ATOM 1597 CD LYS A 101 7.673 0.694 13.065 1.00 0.00 C ATOM 1598 CE LYS A 101 7.535 -0.838 13.048 1.00 0.00 C ATOM 1599 NZ LYS A 101 8.833 -1.564 13.162 1.00 0.00 N ATOM 0 H LYS A 101 6.753 4.094 13.161 1.00 0.00 H new ATOM 0 HA LYS A 101 6.340 2.346 15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.448 3.189 13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.144 3.095 15.057 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.477 0.921 14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.024 0.738 15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.681 1.144 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.195 1.017 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.886 -1.143 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.042 -1.138 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.663 -2.589 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.461 -1.277 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.281 -1.334 14.072 1.00 0.00 H new ATOM 1613 N ASP A 102 7.320 5.238 16.394 1.00 0.00 N ATOM 1614 CA ASP A 102 7.483 6.099 17.578 1.00 0.00 C ATOM 1615 C ASP A 102 6.202 6.245 18.434 1.00 0.00 C ATOM 1616 O ASP A 102 6.249 6.839 19.514 1.00 0.00 O ATOM 1617 CB ASP A 102 7.965 7.483 17.109 1.00 0.00 C ATOM 1618 CG ASP A 102 9.354 7.426 16.456 1.00 0.00 C ATOM 1619 OD1 ASP A 102 10.368 7.445 17.194 1.00 0.00 O ATOM 1620 OD2 ASP A 102 9.425 7.366 15.205 1.00 0.00 O ATOM 0 H ASP A 102 7.285 5.774 15.527 1.00 0.00 H new ATOM 0 HA ASP A 102 8.215 5.620 18.228 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.248 7.893 16.398 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.994 8.163 17.960 1.00 0.00 H new ATOM 1625 N GLY A 103 5.062 5.718 17.965 1.00 0.00 N ATOM 1626 CA GLY A 103 3.745 5.800 18.616 1.00 0.00 C ATOM 1627 C GLY A 103 2.829 6.891 18.048 1.00 0.00 C ATOM 1628 O GLY A 103 1.694 7.030 18.504 1.00 0.00 O ATOM 0 H GLY A 103 5.030 5.202 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.245 4.836 18.521 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.889 5.981 19.681 1.00 0.00 H new ATOM 1632 N SER A 104 3.296 7.664 17.065 1.00 0.00 N ATOM 1633 CA SER A 104 2.511 8.707 16.382 1.00 0.00 C ATOM 1634 C SER A 104 1.459 8.110 15.418 1.00 0.00 C ATOM 1635 O SER A 104 1.507 6.922 15.086 1.00 0.00 O ATOM 1636 CB SER A 104 3.440 9.666 15.604 1.00 0.00 C ATOM 1637 OG SER A 104 4.698 9.873 16.244 1.00 0.00 O ATOM 0 H SER A 104 4.249 7.585 16.711 1.00 0.00 H new ATOM 0 HA SER A 104 1.981 9.260 17.157 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.610 9.266 14.605 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.940 10.627 15.482 1.00 0.00 H new ATOM 0 HG SER A 104 5.242 10.485 15.706 1.00 0.00 H new ATOM 1643 N CYS A 105 0.535 8.935 14.909 1.00 0.00 N ATOM 1644 CA CYS A 105 -0.483 8.535 13.928 1.00 0.00 C ATOM 1645 C CYS A 105 -0.749 9.657 12.906 1.00 0.00 C ATOM 1646 O CYS A 105 -0.588 10.841 13.211 1.00 0.00 O ATOM 1647 CB CYS A 105 -1.745 8.114 14.701 1.00 0.00 C ATOM 1648 SG CYS A 105 -2.972 7.355 13.594 1.00 0.00 S ATOM 0 H CYS A 105 0.473 9.918 15.172 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.133 7.688 13.337 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.475 7.409 15.487 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.182 8.984 15.190 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.371 6.864 12.551 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.157 9.286 11.692 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.446 10.208 10.593 1.00 0.00 C ATOM 1656 C PHE A 106 -2.388 9.579 9.563 1.00 0.00 C ATOM 1657 O PHE A 106 -2.384 8.367 9.346 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.137 10.660 9.917 1.00 0.00 C ATOM 1659 CG PHE A 106 0.752 9.531 9.415 1.00 0.00 C ATOM 1660 CD1 PHE A 106 0.548 8.980 8.134 1.00 0.00 C ATOM 1661 CD2 PHE A 106 1.787 9.029 10.229 1.00 0.00 C ATOM 1662 CE1 PHE A 106 1.375 7.941 7.670 1.00 0.00 C ATOM 1663 CE2 PHE A 106 2.608 7.985 9.766 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.402 7.441 8.487 1.00 0.00 C ATOM 0 H PHE A 106 -1.300 8.308 11.439 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.949 11.079 11.013 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.385 11.308 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.431 11.262 10.626 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.246 9.357 7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.950 9.447 11.211 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.220 7.527 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.398 7.601 10.394 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.033 6.639 8.133 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.160 10.427 8.883 1.00 0.00 N ATOM 1675 CA LEU A 107 -3.889 10.049 7.675 1.00 0.00 C ATOM 1676 C LEU A 107 -2.939 9.975 6.478 1.00 0.00 C ATOM 1677 O LEU A 107 -2.304 10.964 6.098 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.019 11.055 7.394 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.377 10.803 8.078 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.923 9.391 7.831 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.310 11.074 9.587 1.00 0.00 C ATOM 0 H LEU A 107 -3.297 11.400 9.157 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.329 9.064 7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.671 12.045 7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.184 11.084 6.317 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.069 11.509 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.881 9.277 8.339 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.059 9.236 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.218 8.655 8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.286 10.885 10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.569 10.417 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.027 12.113 9.758 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.911 8.811 5.841 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.255 8.548 4.571 1.00 0.00 C ATOM 1695 C CYS A 108 -3.294 8.442 3.444 1.00 0.00 C ATOM 1696 O CYS A 108 -4.338 7.802 3.595 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.448 7.252 4.719 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.357 7.064 3.283 1.00 0.00 S ATOM 0 H CYS A 108 -3.371 7.982 6.219 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.584 9.366 4.307 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.860 7.278 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.120 6.397 4.795 1.00 0.00 H new ATOM 0 HG CYS A 108 -0.242 8.206 2.673 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.993 9.041 2.293 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.644 8.753 1.022 1.00 0.00 C ATOM 1706 C LEU A 109 -2.820 7.666 0.314 1.00 0.00 C ATOM 1707 O LEU A 109 -1.647 7.885 0.003 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.739 10.054 0.198 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.846 10.027 -0.875 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -6.255 10.049 -0.262 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -4.688 11.237 -1.806 1.00 0.00 C ATOM 0 H LEU A 109 -2.271 9.758 2.220 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.661 8.385 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.920 10.890 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.780 10.238 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.737 9.095 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -6.999 10.029 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.386 9.178 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.381 10.956 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.471 11.217 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.768 12.156 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.712 11.198 -2.291 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.430 6.499 0.106 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.844 5.363 -0.620 1.00 0.00 C ATOM 1725 C VAL A 110 -3.405 5.356 -2.043 1.00 0.00 C ATOM 1726 O VAL A 110 -4.612 5.161 -2.207 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.131 4.004 0.060 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.357 2.879 -0.618 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.808 4.039 1.564 1.00 0.00 C ATOM 0 H VAL A 110 -4.373 6.309 0.446 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.761 5.489 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.198 3.811 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.577 1.935 -0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.652 2.814 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.288 3.083 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.023 3.066 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.753 4.276 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.418 4.800 2.050 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.563 5.561 -3.059 1.00 0.00 N ATOM 1740 CA ASP A 111 -2.947 5.578 -4.465 1.00 0.00 C ATOM 1741 C ASP A 111 -2.354 4.340 -5.139 1.00 0.00 C ATOM 1742 O ASP A 111 -1.144 4.254 -5.320 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.435 6.849 -5.167 1.00 0.00 C ATOM 1744 CG ASP A 111 -2.842 8.194 -4.538 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -3.634 8.228 -3.568 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -2.379 9.232 -5.070 1.00 0.00 O ATOM 0 H ASP A 111 -1.566 5.724 -2.917 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.034 5.573 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -1.346 6.804 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.788 6.834 -6.198 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.181 3.379 -5.535 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.723 2.271 -6.387 1.00 0.00 C ATOM 1753 C VAL A 112 -2.632 2.788 -7.821 1.00 0.00 C ATOM 1754 O VAL A 112 -3.608 3.322 -8.351 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.696 1.090 -6.348 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -3.373 -0.015 -7.369 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.807 0.430 -4.974 1.00 0.00 C ATOM 0 H VAL A 112 -4.169 3.338 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.757 1.922 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.647 1.556 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -4.106 -0.817 -7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.408 0.399 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.376 -0.411 -7.174 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.514 -0.398 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.830 0.055 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.157 1.162 -4.246 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.484 2.566 -8.453 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.282 2.768 -9.891 1.00 0.00 C ATOM 1769 C VAL A 113 -1.048 1.387 -10.526 1.00 0.00 C ATOM 1770 O VAL A 113 -0.041 0.751 -10.205 1.00 0.00 O ATOM 1771 CB VAL A 113 -0.123 3.756 -10.151 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.290 3.799 -11.632 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.533 5.173 -9.713 1.00 0.00 C ATOM 0 H VAL A 113 -0.648 2.233 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.160 3.223 -10.350 1.00 0.00 H new ATOM 0 HB VAL A 113 0.729 3.404 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.108 4.508 -11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.616 2.808 -11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.560 4.111 -12.238 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.289 5.864 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.409 5.490 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.771 5.171 -8.649 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.968 0.888 -11.375 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.822 -0.396 -12.047 1.00 0.00 C ATOM 1785 C PRO A 114 -0.807 -0.271 -13.186 1.00 0.00 C ATOM 1786 O PRO A 114 -0.921 0.608 -14.039 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.221 -0.759 -12.556 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.882 0.596 -12.780 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.253 1.487 -11.713 1.00 0.00 C ATOM 0 HA PRO A 114 -1.446 -1.177 -11.386 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.175 -1.340 -13.477 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.770 -1.358 -11.829 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.688 0.975 -13.783 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.964 0.537 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.121 2.503 -12.085 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.894 1.550 -10.834 1.00 0.00 H new ATOM 1797 N VAL A 115 0.184 -1.165 -13.192 1.00 0.00 N ATOM 1798 CA VAL A 115 1.217 -1.242 -14.243 1.00 0.00 C ATOM 1799 C VAL A 115 0.891 -2.392 -15.193 1.00 0.00 C ATOM 1800 O VAL A 115 0.850 -3.552 -14.780 1.00 0.00 O ATOM 1801 CB VAL A 115 2.630 -1.421 -13.643 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.716 -1.524 -14.727 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.981 -0.260 -12.701 1.00 0.00 C ATOM 0 H VAL A 115 0.299 -1.867 -12.461 1.00 0.00 H new ATOM 0 HA VAL A 115 1.216 -0.301 -14.794 1.00 0.00 H new ATOM 0 HB VAL A 115 2.606 -2.357 -13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.691 -1.649 -14.255 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.511 -2.382 -15.367 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.718 -0.615 -15.328 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.980 -0.412 -12.293 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.954 0.679 -13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.258 -0.222 -11.886 1.00 0.00 H new ATOM 1813 N LYS A 116 0.692 -2.074 -16.476 1.00 0.00 N ATOM 1814 CA LYS A 116 0.519 -3.066 -17.543 1.00 0.00 C ATOM 1815 C LYS A 116 1.856 -3.502 -18.169 1.00 0.00 C ATOM 1816 O LYS A 116 2.834 -2.751 -18.183 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.443 -2.546 -18.624 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.877 -2.449 -18.087 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.870 -2.061 -19.190 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.240 -2.670 -18.864 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.252 -2.352 -19.911 1.00 0.00 N ATOM 0 H LYS A 116 0.646 -1.110 -16.807 1.00 0.00 H new ATOM 0 HA LYS A 116 0.082 -3.951 -17.080 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.113 -1.566 -18.968 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.419 -3.211 -19.487 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.169 -3.406 -17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.917 -1.711 -17.286 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.948 -0.976 -19.262 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.518 -2.421 -20.157 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.143 -3.752 -18.769 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.584 -2.295 -17.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.164 -2.781 -19.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.363 -1.321 -19.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.936 -2.732 -20.826 1.00 0.00 H new ATOM 1835 N ASN A 117 1.878 -4.723 -18.713 1.00 0.00 N ATOM 1836 CA ASN A 117 3.018 -5.286 -19.442 1.00 0.00 C ATOM 1837 C ASN A 117 2.913 -5.019 -20.956 1.00 0.00 C ATOM 1838 O ASN A 117 1.991 -4.351 -21.428 1.00 0.00 O ATOM 1839 CB ASN A 117 3.172 -6.783 -19.092 1.00 0.00 C ATOM 1840 CG ASN A 117 2.250 -7.716 -19.867 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.668 -8.358 -20.817 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.975 -7.788 -19.534 1.00 0.00 N ATOM 0 H ASN A 117 1.085 -5.362 -18.657 1.00 0.00 H new ATOM 0 HA ASN A 117 3.931 -4.782 -19.126 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.205 -7.080 -19.275 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.986 -6.914 -18.026 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.340 -8.380 -20.070 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.624 -7.252 -18.740 1.00 0.00 H new ATOM 1849 N GLU A 118 3.836 -5.608 -21.714 1.00 0.00 N ATOM 1850 CA GLU A 118 3.907 -5.522 -23.182 1.00 0.00 C ATOM 1851 C GLU A 118 2.659 -6.067 -23.917 1.00 0.00 C ATOM 1852 O GLU A 118 2.398 -5.672 -25.055 1.00 0.00 O ATOM 1853 CB GLU A 118 5.182 -6.228 -23.680 1.00 0.00 C ATOM 1854 CG GLU A 118 5.297 -7.694 -23.233 1.00 0.00 C ATOM 1855 CD GLU A 118 6.483 -8.387 -23.919 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.616 -8.328 -23.384 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.296 -8.999 -24.997 1.00 0.00 O ATOM 0 H GLU A 118 4.582 -6.178 -21.316 1.00 0.00 H new ATOM 0 HA GLU A 118 3.940 -4.460 -23.425 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.206 -6.187 -24.769 1.00 0.00 H new ATOM 0 HB3 GLU A 118 6.053 -5.680 -23.321 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.421 -7.739 -22.151 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.375 -8.224 -23.471 1.00 0.00 H new ATOM 1864 N ASP A 119 1.867 -6.940 -23.280 1.00 0.00 N ATOM 1865 CA ASP A 119 0.634 -7.525 -23.833 1.00 0.00 C ATOM 1866 C ASP A 119 -0.629 -6.694 -23.505 1.00 0.00 C ATOM 1867 O ASP A 119 -1.723 -7.007 -23.978 1.00 0.00 O ATOM 1868 CB ASP A 119 0.508 -8.965 -23.303 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.586 -9.779 -24.015 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.489 -9.972 -25.252 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.519 -10.264 -23.329 1.00 0.00 O ATOM 0 H ASP A 119 2.071 -7.270 -22.337 1.00 0.00 H new ATOM 0 HA ASP A 119 0.705 -7.524 -24.921 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.465 -9.474 -23.421 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.292 -8.935 -22.235 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.490 -5.638 -22.689 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.591 -4.758 -22.276 1.00 0.00 C ATOM 1878 C GLY A 120 -2.454 -5.313 -21.136 1.00 0.00 C ATOM 1879 O GLY A 120 -3.593 -4.875 -20.979 1.00 0.00 O ATOM 0 H GLY A 120 0.409 -5.368 -22.291 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.176 -3.798 -21.967 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.230 -4.566 -23.138 1.00 0.00 H new ATOM 1883 N ALA A 121 -1.925 -6.243 -20.332 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.551 -6.758 -19.105 1.00 0.00 C ATOM 1885 C ALA A 121 -1.801 -6.230 -17.874 1.00 0.00 C ATOM 1886 O ALA A 121 -0.590 -6.028 -17.946 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.552 -8.296 -19.144 1.00 0.00 C ATOM 0 H ALA A 121 -1.020 -6.673 -20.522 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.583 -6.413 -19.040 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.015 -8.683 -18.236 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.115 -8.638 -20.013 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.526 -8.659 -19.211 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.486 -6.014 -16.752 1.00 0.00 N ATOM 1894 CA VAL A 122 -1.872 -5.529 -15.495 1.00 0.00 C ATOM 1895 C VAL A 122 -1.165 -6.677 -14.764 1.00 0.00 C ATOM 1896 O VAL A 122 -1.757 -7.725 -14.516 1.00 0.00 O ATOM 1897 CB VAL A 122 -2.858 -4.738 -14.599 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -4.178 -5.475 -14.363 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -2.252 -4.318 -13.250 1.00 0.00 C ATOM 0 H VAL A 122 -3.492 -6.169 -16.679 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.109 -4.798 -15.761 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.069 -3.834 -15.169 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.825 -4.869 -13.728 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.671 -5.653 -15.319 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.980 -6.429 -13.874 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.995 -3.768 -12.673 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.946 -5.206 -12.696 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.384 -3.682 -13.423 1.00 0.00 H new ATOM 1909 N ILE A 123 0.120 -6.470 -14.444 1.00 0.00 N ATOM 1910 CA ILE A 123 1.003 -7.497 -13.837 1.00 0.00 C ATOM 1911 C ILE A 123 1.692 -7.043 -12.545 1.00 0.00 C ATOM 1912 O ILE A 123 2.043 -7.877 -11.715 1.00 0.00 O ATOM 1913 CB ILE A 123 2.030 -8.040 -14.860 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.260 -7.142 -15.133 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.351 -8.468 -16.173 1.00 0.00 C ATOM 1916 CD1 ILE A 123 3.028 -5.693 -15.575 1.00 0.00 C ATOM 0 H ILE A 123 0.589 -5.577 -14.598 1.00 0.00 H new ATOM 0 HA ILE A 123 0.340 -8.312 -13.547 1.00 0.00 H new ATOM 0 HB ILE A 123 2.446 -8.917 -14.365 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.861 -7.118 -14.224 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.862 -7.630 -15.900 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.104 -8.844 -16.866 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.623 -9.253 -15.967 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.844 -7.611 -16.617 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.989 -5.200 -15.725 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.466 -5.683 -16.509 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.465 -5.164 -14.806 1.00 0.00 H new ATOM 1928 N MET A 124 1.837 -5.735 -12.337 1.00 0.00 N ATOM 1929 CA MET A 124 2.262 -5.127 -11.064 1.00 0.00 C ATOM 1930 C MET A 124 1.327 -3.991 -10.630 1.00 0.00 C ATOM 1931 O MET A 124 0.780 -3.262 -11.458 1.00 0.00 O ATOM 1932 CB MET A 124 3.703 -4.604 -11.184 1.00 0.00 C ATOM 1933 CG MET A 124 4.732 -5.738 -11.259 1.00 0.00 C ATOM 1934 SD MET A 124 6.395 -5.192 -11.725 1.00 0.00 S ATOM 1935 CE MET A 124 6.130 -4.909 -13.496 1.00 0.00 C ATOM 0 H MET A 124 1.659 -5.044 -13.066 1.00 0.00 H new ATOM 0 HA MET A 124 2.217 -5.902 -10.299 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.788 -3.981 -12.074 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.928 -3.968 -10.328 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.782 -6.235 -10.290 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.389 -6.480 -11.980 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.676 -5.658 -14.070 1.00 0.00 H new ATOM 0 HE2 MET A 124 5.066 -4.984 -13.721 1.00 0.00 H new ATOM 0 HE3 MET A 124 6.489 -3.915 -13.763 1.00 0.00 H new ATOM 1945 N PHE A 125 1.207 -3.798 -9.319 1.00 0.00 N ATOM 1946 CA PHE A 125 0.648 -2.597 -8.701 1.00 0.00 C ATOM 1947 C PHE A 125 1.777 -1.790 -8.065 1.00 0.00 C ATOM 1948 O PHE A 125 2.630 -2.342 -7.373 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.394 -3.002 -7.646 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.625 -3.665 -8.231 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.489 -2.925 -9.061 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -1.906 -5.016 -7.957 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.620 -3.536 -9.628 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -3.042 -5.624 -8.520 1.00 0.00 C ATOM 1955 CZ PHE A 125 -3.888 -4.889 -9.368 1.00 0.00 C ATOM 0 H PHE A 125 1.505 -4.494 -8.636 1.00 0.00 H new ATOM 0 HA PHE A 125 0.156 -1.981 -9.454 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.070 -3.682 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.699 -2.116 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.282 -1.884 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.250 -5.585 -7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.282 -2.966 -10.263 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.265 -6.658 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.745 -5.366 -9.820 1.00 0.00 H new ATOM 1965 N ILE A 126 1.757 -0.474 -8.264 1.00 0.00 N ATOM 1966 CA ILE A 126 2.526 0.472 -7.447 1.00 0.00 C ATOM 1967 C ILE A 126 1.544 1.044 -6.428 1.00 0.00 C ATOM 1968 O ILE A 126 0.564 1.665 -6.841 1.00 0.00 O ATOM 1969 CB ILE A 126 3.162 1.580 -8.318 1.00 0.00 C ATOM 1970 CG1 ILE A 126 4.094 0.988 -9.400 1.00 0.00 C ATOM 1971 CG2 ILE A 126 3.942 2.563 -7.423 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.524 2.011 -10.459 1.00 0.00 C ATOM 0 H ILE A 126 1.206 -0.029 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 126 3.360 -0.021 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 126 2.359 2.111 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.982 0.578 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.586 0.158 -9.892 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.388 3.342 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.262 3.017 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.728 2.026 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.176 1.529 -11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.642 2.403 -10.966 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.060 2.829 -9.978 1.00 0.00 H new ATOM 1984 N LEU A 127 1.778 0.839 -5.133 1.00 0.00 N ATOM 1985 CA LEU A 127 1.028 1.510 -4.069 1.00 0.00 C ATOM 1986 C LEU A 127 1.832 2.746 -3.701 1.00 0.00 C ATOM 1987 O LEU A 127 2.970 2.617 -3.250 1.00 0.00 O ATOM 1988 CB LEU A 127 0.865 0.589 -2.840 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.294 -0.423 -2.887 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.605 0.236 -2.480 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.410 -1.176 -4.223 1.00 0.00 C ATOM 0 H LEU A 127 2.496 0.201 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 127 0.023 1.769 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.794 0.037 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.734 1.217 -1.959 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.058 -1.194 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.409 -0.498 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.518 0.623 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.827 1.056 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.249 -1.870 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.573 -0.462 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.510 -1.731 -4.409 1.00 0.00 H new ATOM 2003 N ASN A 128 1.262 3.929 -3.912 1.00 0.00 N ATOM 2004 CA ASN A 128 1.922 5.186 -3.522 1.00 0.00 C ATOM 2005 C ASN A 128 1.332 5.731 -2.217 1.00 0.00 C ATOM 2006 O ASN A 128 0.127 5.608 -2.008 1.00 0.00 O ATOM 2007 CB ASN A 128 1.860 6.268 -4.607 1.00 0.00 C ATOM 2008 CG ASN A 128 2.135 5.786 -6.027 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.212 5.972 -6.579 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.155 5.181 -6.671 1.00 0.00 N ATOM 0 H ASN A 128 0.348 4.051 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 128 2.973 4.936 -3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 128 0.872 6.727 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.580 7.048 -4.360 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.293 4.867 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.259 5.028 -6.208 1.00 0.00 H new ATOM 2017 N PHE A 129 2.155 6.348 -1.363 1.00 0.00 N ATOM 2018 CA PHE A 129 1.760 6.860 -0.051 1.00 0.00 C ATOM 2019 C PHE A 129 2.049 8.362 0.067 1.00 0.00 C ATOM 2020 O PHE A 129 3.157 8.810 -0.231 1.00 0.00 O ATOM 2021 CB PHE A 129 2.514 6.080 1.038 1.00 0.00 C ATOM 2022 CG PHE A 129 2.383 4.573 0.955 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.124 3.975 1.134 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.510 3.768 0.706 1.00 0.00 C ATOM 2025 CE1 PHE A 129 0.983 2.579 1.063 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.369 2.372 0.638 1.00 0.00 C ATOM 2027 CZ PHE A 129 2.108 1.776 0.809 1.00 0.00 C ATOM 0 H PHE A 129 3.140 6.508 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 129 0.686 6.722 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.571 6.341 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.154 6.408 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.259 4.592 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.480 4.222 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.013 2.125 1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.235 1.753 0.453 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.004 0.703 0.745 1.00 0.00 H new ATOM 2037 N GLU A 130 1.076 9.127 0.561 1.00 0.00 N ATOM 2038 CA GLU A 130 1.182 10.563 0.827 1.00 0.00 C ATOM 2039 C GLU A 130 0.516 10.877 2.170 1.00 0.00 C ATOM 2040 O GLU A 130 -0.610 10.456 2.411 1.00 0.00 O ATOM 2041 CB GLU A 130 0.498 11.339 -0.317 1.00 0.00 C ATOM 2042 CG GLU A 130 1.457 11.619 -1.488 1.00 0.00 C ATOM 2043 CD GLU A 130 0.856 11.207 -2.841 1.00 0.00 C ATOM 2044 OE1 GLU A 130 0.137 12.032 -3.454 1.00 0.00 O ATOM 2045 OE2 GLU A 130 1.125 10.074 -3.307 1.00 0.00 O ATOM 0 H GLU A 130 0.158 8.750 0.796 1.00 0.00 H new ATOM 0 HA GLU A 130 2.229 10.863 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.357 10.769 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.112 12.283 0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.702 12.681 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 130 2.391 11.080 -1.328 1.00 0.00 H new ATOM 2052 N VAL A 131 1.185 11.620 3.055 1.00 0.00 N ATOM 2053 CA VAL A 131 0.595 12.052 4.339 1.00 0.00 C ATOM 2054 C VAL A 131 -0.361 13.210 4.051 1.00 0.00 C ATOM 2055 O VAL A 131 0.074 14.293 3.662 1.00 0.00 O ATOM 2056 CB VAL A 131 1.672 12.424 5.387 1.00 0.00 C ATOM 2057 CG1 VAL A 131 1.048 13.029 6.660 1.00 0.00 C ATOM 2058 CG2 VAL A 131 2.452 11.166 5.787 1.00 0.00 C ATOM 0 H VAL A 131 2.143 11.940 2.911 1.00 0.00 H new ATOM 0 HA VAL A 131 0.044 11.224 4.785 1.00 0.00 H new ATOM 0 HB VAL A 131 2.329 13.166 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 131 1.837 13.276 7.370 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.497 13.933 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.368 12.306 7.111 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.210 11.427 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.767 10.434 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.934 10.741 4.906 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.663 12.958 4.216 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.733 13.915 3.864 1.00 0.00 C ATOM 2070 C VAL A 132 -3.170 14.782 5.055 1.00 0.00 C ATOM 2071 O VAL A 132 -3.652 15.895 4.853 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.925 13.205 3.179 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.853 12.458 4.129 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.729 14.159 2.283 1.00 0.00 C ATOM 0 H VAL A 132 -2.013 12.080 4.600 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.311 14.607 3.136 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.457 12.443 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.658 11.992 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.290 11.689 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.276 13.158 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.555 13.617 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -5.123 14.978 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.080 14.560 1.504 1.00 0.00 H new ATOM 2084 N MET A 133 -2.963 14.298 6.290 1.00 0.00 N ATOM 2085 CA MET A 133 -3.286 15.010 7.534 1.00 0.00 C ATOM 2086 C MET A 133 -2.562 14.367 8.728 1.00 0.00 C ATOM 2087 O MET A 133 -2.868 13.240 9.114 1.00 0.00 O ATOM 2088 CB MET A 133 -4.820 15.076 7.705 1.00 0.00 C ATOM 2089 CG MET A 133 -5.280 15.584 9.074 1.00 0.00 C ATOM 2090 SD MET A 133 -4.643 17.205 9.586 1.00 0.00 S ATOM 2091 CE MET A 133 -5.397 18.263 8.323 1.00 0.00 C ATOM 0 H MET A 133 -2.556 13.377 6.454 1.00 0.00 H new ATOM 0 HA MET A 133 -2.925 16.037 7.485 1.00 0.00 H new ATOM 0 HB2 MET A 133 -5.232 15.725 6.932 1.00 0.00 H new ATOM 0 HB3 MET A 133 -5.235 14.082 7.541 1.00 0.00 H new ATOM 0 HG2 MET A 133 -6.369 15.629 9.074 1.00 0.00 H new ATOM 0 HG3 MET A 133 -4.991 14.850 9.826 1.00 0.00 H new ATOM 0 HE1 MET A 133 -5.163 19.306 8.535 1.00 0.00 H new ATOM 0 HE2 MET A 133 -5.004 17.995 7.342 1.00 0.00 H new ATOM 0 HE3 MET A 133 -6.478 18.125 8.331 1.00 0.00 H new ATOM 2101 N GLU A 134 -1.594 15.072 9.315 1.00 0.00 N ATOM 2102 CA GLU A 134 -0.869 14.613 10.504 1.00 0.00 C ATOM 2103 C GLU A 134 -1.689 14.923 11.771 1.00 0.00 C ATOM 2104 O GLU A 134 -1.991 16.086 12.059 1.00 0.00 O ATOM 2105 CB GLU A 134 0.526 15.257 10.542 1.00 0.00 C ATOM 2106 CG GLU A 134 1.399 14.687 11.664 1.00 0.00 C ATOM 2107 CD GLU A 134 2.797 15.322 11.639 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.994 16.392 12.264 1.00 0.00 O ATOM 2109 OE2 GLU A 134 3.713 14.757 10.996 1.00 0.00 O ATOM 0 H GLU A 134 -1.288 15.984 8.977 1.00 0.00 H new ATOM 0 HA GLU A 134 -0.731 13.533 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.022 15.101 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.423 16.334 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.927 14.872 12.629 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.483 13.606 11.553 1.00 0.00 H new ATOM 2116 N LYS A 135 -2.060 13.871 12.515 1.00 0.00 N ATOM 2117 CA LYS A 135 -2.924 13.936 13.707 1.00 0.00 C ATOM 2118 C LYS A 135 -2.149 14.184 15.013 1.00 0.00 C ATOM 2119 O LYS A 135 -2.657 14.964 15.853 1.00 0.00 O ATOM 2120 CB LYS A 135 -3.781 12.657 13.785 1.00 0.00 C ATOM 2121 CG LYS A 135 -4.904 12.607 12.730 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.063 13.558 13.084 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.235 13.410 12.104 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.372 14.304 12.468 1.00 0.00 N ATOM 2125 OXT LYS A 135 -1.053 13.611 15.215 1.00 0.00 O ATOM 0 H LYS A 135 -1.759 12.921 12.299 1.00 0.00 H new ATOM 0 HA LYS A 135 -3.574 14.804 13.597 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.135 11.788 13.659 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.223 12.585 14.779 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.499 12.875 11.754 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.282 11.588 12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.407 13.352 14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -5.706 14.588 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -6.897 13.643 11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.574 12.374 12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -9.146 14.177 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.710 14.065 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -8.054 15.294 12.452 1.00 0.00 H new TER 2139 LYS A 135