USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.512 K(o=0.51,f=-0.0045) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -136:sc= -0.0923 (180deg=-0.547) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0199) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -1.9 K(o=-1.9,f=-5!) USER MOD Single : A 58 GLN : amide:sc= -5.32! C(o=-5.3!,f=-7!) USER MOD Single : A 60 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.9) USER MOD Single : A 62 SER OG : rot -160:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= 0.853 (180deg=-0.154) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0.273 K(o=0.27,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot 73:sc= 0.839 USER MOD Single : A 80 GLN : amide:sc= -6.3! C(o=-6.3!,f=-1.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 89 CYS SG : rot -44:sc= -2.76 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -38:sc= -8.17! USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= -1.2! (180deg=-1.21!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot -14:sc= -1.32 USER MOD Single : A 100 SER OG : rot 179:sc= -0.0805 USER MOD Single : A 101 ASN : amide:sc= 0.521 K(o=0.52,f=-0.44) USER MOD Single : A 103 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.22) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 -19.699 -8.612 -1.258 1.00 0.70 N ATOM 14 CA ASP A 2 -20.578 -8.025 -2.245 1.00 0.72 C ATOM 15 C ASP A 2 -19.765 -7.506 -3.427 1.00 0.70 C ATOM 16 O ASP A 2 -18.543 -7.364 -3.310 1.00 0.75 O ATOM 17 CB ASP A 2 -21.289 -6.858 -1.593 1.00 0.79 C ATOM 18 CG ASP A 2 -22.588 -7.224 -0.911 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.631 -7.262 -1.587 1.00 1.11 O ATOM 20 OD2 ASP A 2 -22.565 -7.427 0.321 1.00 1.65 O ATOM 0 HA ASP A 2 -21.288 -8.771 -2.603 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.622 -6.405 -0.859 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.491 -6.101 -2.351 1.00 0.79 H new ATOM 25 N PRO A 3 -20.424 -7.176 -4.557 1.00 0.71 N ATOM 26 CA PRO A 3 -19.749 -6.672 -5.773 1.00 0.72 C ATOM 27 C PRO A 3 -19.155 -5.270 -5.617 1.00 0.66 C ATOM 28 O PRO A 3 -19.305 -4.415 -6.487 1.00 0.97 O ATOM 29 CB PRO A 3 -20.868 -6.661 -6.818 1.00 0.84 C ATOM 30 CG PRO A 3 -22.124 -6.538 -6.030 1.00 0.94 C ATOM 31 CD PRO A 3 -21.886 -7.297 -4.758 1.00 0.81 C ATOM 0 HA PRO A 3 -18.893 -7.296 -6.032 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.753 -5.828 -7.512 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.862 -7.574 -7.413 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.355 -5.493 -5.824 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.971 -6.950 -6.578 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.443 -6.870 -3.924 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -22.195 -8.339 -4.847 1.00 0.81 H new ATOM 39 N ILE A 4 -18.467 -5.061 -4.510 1.00 0.45 N ATOM 40 CA ILE A 4 -17.702 -3.851 -4.268 1.00 0.41 C ATOM 41 C ILE A 4 -16.585 -3.727 -5.289 1.00 0.41 C ATOM 42 O ILE A 4 -16.507 -2.755 -6.038 1.00 0.50 O ATOM 43 CB ILE A 4 -17.097 -3.888 -2.843 1.00 0.36 C ATOM 44 CG1 ILE A 4 -18.107 -3.393 -1.818 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.814 -3.072 -2.732 1.00 0.33 C ATOM 46 CD1 ILE A 4 -19.293 -4.296 -1.656 1.00 0.46 C ATOM 0 H ILE A 4 -18.423 -5.734 -3.745 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.366 -2.991 -4.358 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.847 -4.929 -2.638 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.610 -3.284 -0.854 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.453 -2.402 -2.111 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.432 -3.132 -1.713 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -15.070 -3.469 -3.423 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.022 -2.031 -2.981 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.969 -3.879 -0.910 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.815 -4.385 -2.609 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.958 -5.281 -1.332 1.00 0.46 H new ATOM 58 N GLY A 5 -15.728 -4.735 -5.309 1.00 0.36 N ATOM 59 CA GLY A 5 -14.548 -4.667 -6.132 1.00 0.39 C ATOM 60 C GLY A 5 -13.506 -3.922 -5.367 1.00 0.33 C ATOM 61 O GLY A 5 -12.943 -2.930 -5.826 1.00 0.33 O ATOM 0 H GLY A 5 -15.831 -5.595 -4.771 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.197 -5.668 -6.381 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.766 -4.162 -7.073 1.00 0.39 H new ATOM 65 N LEU A 6 -13.283 -4.431 -4.171 1.00 0.32 N ATOM 66 CA LEU A 6 -12.561 -3.733 -3.134 1.00 0.29 C ATOM 67 C LEU A 6 -11.152 -3.432 -3.591 1.00 0.29 C ATOM 68 O LEU A 6 -10.578 -2.394 -3.263 1.00 0.33 O ATOM 69 CB LEU A 6 -12.578 -4.599 -1.882 1.00 0.29 C ATOM 70 CG LEU A 6 -12.329 -3.872 -0.576 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.144 -2.594 -0.500 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.636 -4.783 0.594 1.00 0.28 C ATOM 0 H LEU A 6 -13.605 -5.357 -3.891 1.00 0.32 H new ATOM 0 HA LEU A 6 -13.033 -2.776 -2.912 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.546 -5.097 -1.820 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.824 -5.379 -1.992 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.276 -3.593 -0.530 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -12.946 -2.092 0.447 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -12.867 -1.936 -1.324 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.205 -2.834 -0.569 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.454 -4.250 1.527 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.680 -5.092 0.550 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.995 -5.663 0.547 1.00 0.28 H new ATOM 84 N PHE A 7 -10.619 -4.335 -4.381 1.00 0.30 N ATOM 85 CA PHE A 7 -9.353 -4.116 -5.011 1.00 0.32 C ATOM 86 C PHE A 7 -9.569 -3.582 -6.412 1.00 0.29 C ATOM 87 O PHE A 7 -9.619 -4.329 -7.388 1.00 0.32 O ATOM 88 CB PHE A 7 -8.544 -5.401 -5.027 1.00 0.41 C ATOM 89 CG PHE A 7 -7.302 -5.309 -4.198 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.335 -4.735 -2.934 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.106 -5.791 -4.677 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.191 -4.646 -2.171 1.00 0.67 C ATOM 93 CE2 PHE A 7 -4.962 -5.706 -3.923 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.002 -5.131 -2.666 1.00 0.61 C ATOM 0 H PHE A 7 -11.052 -5.232 -4.599 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.787 -3.376 -4.445 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -9.162 -6.220 -4.659 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -8.273 -5.643 -6.055 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -8.268 -4.354 -2.545 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.067 -6.242 -5.658 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -6.227 -4.198 -1.189 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.030 -6.089 -4.312 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.102 -5.063 -2.074 1.00 0.61 H new ATOM 104 N VAL A 8 -9.741 -2.278 -6.480 1.00 0.28 N ATOM 105 CA VAL A 8 -9.965 -1.585 -7.737 1.00 0.34 C ATOM 106 C VAL A 8 -8.718 -1.670 -8.605 1.00 0.44 C ATOM 107 O VAL A 8 -8.775 -2.057 -9.773 1.00 0.63 O ATOM 108 CB VAL A 8 -10.328 -0.106 -7.488 1.00 0.32 C ATOM 109 CG1 VAL A 8 -10.757 0.575 -8.782 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.415 0.000 -6.427 1.00 0.33 C ATOM 0 H VAL A 8 -9.730 -1.665 -5.665 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.798 -2.065 -8.251 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.440 0.410 -7.122 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.008 1.616 -8.579 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -9.941 0.532 -9.504 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.630 0.065 -9.190 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.661 1.049 -6.262 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.305 -0.533 -6.763 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.059 -0.440 -5.496 1.00 0.33 H new ATOM 120 N MET A 9 -7.594 -1.317 -8.010 1.00 0.43 N ATOM 121 CA MET A 9 -6.297 -1.475 -8.640 1.00 0.65 C ATOM 122 C MET A 9 -5.269 -1.758 -7.567 1.00 0.44 C ATOM 123 O MET A 9 -5.208 -1.060 -6.554 1.00 0.44 O ATOM 124 CB MET A 9 -5.892 -0.241 -9.437 1.00 1.05 C ATOM 125 CG MET A 9 -4.593 -0.427 -10.211 1.00 1.45 C ATOM 126 SD MET A 9 -4.704 -1.723 -11.462 1.00 2.35 S ATOM 127 CE MET A 9 -3.036 -1.696 -12.123 1.00 2.88 C ATOM 0 H MET A 9 -7.555 -0.912 -7.075 1.00 0.43 H new ATOM 0 HA MET A 9 -6.355 -2.305 -9.344 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.690 0.011 -10.135 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.784 0.604 -8.757 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.324 0.514 -10.692 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.791 -0.669 -9.513 1.00 1.45 H new ATOM 0 HE1 MET A 9 -2.944 -2.445 -12.910 1.00 2.88 H new ATOM 0 HE2 MET A 9 -2.824 -0.709 -12.534 1.00 2.88 H new ATOM 0 HE3 MET A 9 -2.325 -1.918 -11.327 1.00 2.88 H new ATOM 137 N ARG A 10 -4.473 -2.773 -7.785 1.00 0.47 N ATOM 138 CA ARG A 10 -3.533 -3.218 -6.777 1.00 0.41 C ATOM 139 C ARG A 10 -2.143 -2.675 -7.038 1.00 0.39 C ATOM 140 O ARG A 10 -1.686 -2.626 -8.181 1.00 0.45 O ATOM 141 CB ARG A 10 -3.502 -4.741 -6.693 1.00 0.46 C ATOM 142 CG ARG A 10 -3.274 -5.450 -8.017 1.00 0.97 C ATOM 143 CD ARG A 10 -3.260 -6.957 -7.827 1.00 1.34 C ATOM 144 NE ARG A 10 -3.188 -7.667 -9.102 1.00 2.11 N ATOM 145 CZ ARG A 10 -3.192 -8.995 -9.222 1.00 2.72 C ATOM 146 NH1 ARG A 10 -3.331 -9.768 -8.150 1.00 2.74 N ATOM 147 NH2 ARG A 10 -3.069 -9.547 -10.422 1.00 3.67 N ATOM 0 H ARG A 10 -4.454 -3.311 -8.652 1.00 0.47 H new ATOM 0 HA ARG A 10 -3.873 -2.826 -5.819 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -2.715 -5.036 -5.999 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -4.445 -5.086 -6.270 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -4.059 -5.175 -8.722 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -2.328 -5.125 -8.451 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -2.408 -7.237 -7.207 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.158 -7.264 -7.291 1.00 1.34 H new ATOM 0 HE ARG A 10 -3.131 -7.111 -9.955 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -3.436 -9.346 -7.227 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -3.333 -10.783 -8.250 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -2.972 -8.956 -11.248 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -3.071 -10.562 -10.519 1.00 3.67 H new ATOM 161 N PRO A 11 -1.466 -2.238 -5.971 1.00 0.43 N ATOM 162 CA PRO A 11 -0.096 -1.761 -6.056 1.00 0.50 C ATOM 163 C PRO A 11 0.859 -2.894 -6.380 1.00 0.47 C ATOM 164 O PRO A 11 0.579 -4.060 -6.093 1.00 0.54 O ATOM 165 CB PRO A 11 0.186 -1.183 -4.672 1.00 0.62 C ATOM 166 CG PRO A 11 -0.809 -1.806 -3.770 1.00 0.64 C ATOM 167 CD PRO A 11 -2.000 -2.174 -4.605 1.00 0.53 C ATOM 0 HA PRO A 11 0.039 -1.026 -6.849 1.00 0.50 H new ATOM 0 HB2 PRO A 11 1.203 -1.411 -4.352 1.00 0.62 H new ATOM 0 HB3 PRO A 11 0.088 -0.097 -4.673 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.390 -2.689 -3.288 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.095 -1.115 -2.977 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.425 -3.129 -4.297 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -2.793 -1.431 -4.520 1.00 0.53 H new ATOM 175 N GLN A 12 1.974 -2.555 -6.988 1.00 0.44 N ATOM 176 CA GLN A 12 2.901 -3.543 -7.483 1.00 0.43 C ATOM 177 C GLN A 12 4.271 -3.333 -6.880 1.00 0.37 C ATOM 178 O GLN A 12 4.483 -2.356 -6.167 1.00 0.40 O ATOM 179 CB GLN A 12 2.948 -3.436 -8.996 1.00 0.55 C ATOM 180 CG GLN A 12 1.595 -3.709 -9.627 1.00 0.73 C ATOM 181 CD GLN A 12 1.230 -5.188 -9.611 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.468 -5.903 -10.585 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.692 -5.673 -8.496 1.00 1.32 N ATOM 0 H GLN A 12 2.261 -1.590 -7.152 1.00 0.44 H new ATOM 0 HA GLN A 12 2.572 -4.542 -7.198 1.00 0.43 H new ATOM 0 HB2 GLN A 12 3.285 -2.439 -9.279 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.680 -4.143 -9.387 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.829 -3.144 -9.096 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.599 -3.350 -10.656 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.508 -5.053 -7.707 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.464 -6.665 -8.429 1.00 1.32 H new ATOM 192 N ASP A 13 5.181 -4.261 -7.146 1.00 0.34 N ATOM 193 CA ASP A 13 6.495 -4.236 -6.629 1.00 0.33 C ATOM 194 C ASP A 13 7.301 -3.097 -7.215 1.00 0.36 C ATOM 195 O ASP A 13 6.797 -2.015 -7.524 1.00 0.50 O ATOM 196 CB ASP A 13 7.138 -5.572 -6.993 1.00 0.35 C ATOM 197 CG ASP A 13 6.983 -5.918 -8.461 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.888 -6.374 -8.855 1.00 1.03 O ATOM 199 OD2 ASP A 13 7.955 -5.733 -9.223 1.00 2.06 O ATOM 0 H ASP A 13 4.995 -5.064 -7.747 1.00 0.34 H new ATOM 0 HA ASP A 13 6.470 -4.083 -5.550 1.00 0.33 H new ATOM 0 HB2 ASP A 13 8.198 -5.540 -6.742 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.691 -6.362 -6.389 1.00 0.35 H new ATOM 204 N GLY A 14 8.549 -3.383 -7.399 1.00 0.30 N ATOM 205 CA GLY A 14 9.494 -2.390 -7.799 1.00 0.30 C ATOM 206 C GLY A 14 10.884 -2.772 -7.393 1.00 0.25 C ATOM 207 O GLY A 14 11.118 -3.299 -6.309 1.00 0.28 O ATOM 0 H GLY A 14 8.944 -4.315 -7.276 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.451 -2.258 -8.880 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.231 -1.432 -7.350 1.00 0.30 H new ATOM 211 N GLU A 15 11.789 -2.523 -8.282 1.00 0.26 N ATOM 212 CA GLU A 15 13.197 -2.743 -8.039 1.00 0.25 C ATOM 213 C GLU A 15 13.910 -1.417 -8.137 1.00 0.23 C ATOM 214 O GLU A 15 13.918 -0.782 -9.190 1.00 0.30 O ATOM 215 CB GLU A 15 13.794 -3.723 -9.047 1.00 0.33 C ATOM 216 CG GLU A 15 13.221 -5.127 -8.980 1.00 0.69 C ATOM 217 CD GLU A 15 13.993 -6.082 -9.859 1.00 1.11 C ATOM 218 OE1 GLU A 15 15.147 -6.402 -9.526 1.00 1.48 O ATOM 219 OE2 GLU A 15 13.428 -6.550 -10.870 1.00 1.53 O ATOM 0 H GLU A 15 11.580 -2.157 -9.211 1.00 0.26 H new ATOM 0 HA GLU A 15 13.320 -3.176 -7.046 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.639 -3.329 -10.052 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.871 -3.776 -8.888 1.00 0.33 H new ATOM 0 HG2 GLU A 15 13.243 -5.481 -7.949 1.00 0.69 H new ATOM 0 HG3 GLU A 15 12.176 -5.110 -9.289 1.00 0.69 H new ATOM 226 N VAL A 16 14.497 -0.988 -7.041 1.00 0.20 N ATOM 227 CA VAL A 16 15.075 0.283 -6.957 1.00 0.21 C ATOM 228 C VAL A 16 16.421 0.120 -6.317 1.00 0.22 C ATOM 229 O VAL A 16 16.719 -0.906 -5.724 1.00 0.27 O ATOM 230 CB VAL A 16 14.206 1.233 -6.120 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.740 1.121 -6.510 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.398 0.986 -4.625 1.00 0.23 C ATOM 0 H VAL A 16 14.573 -1.539 -6.186 1.00 0.20 H new ATOM 0 HA VAL A 16 15.164 0.718 -7.952 1.00 0.21 H new ATOM 0 HB VAL A 16 14.531 2.252 -6.332 1.00 0.22 H new ATOM 0 HG11 VAL A 16 12.148 1.805 -5.901 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.623 1.378 -7.563 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.397 0.100 -6.346 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.770 1.674 -4.059 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.119 -0.040 -4.387 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.443 1.148 -4.361 1.00 0.23 H new ATOM 242 N THR A 17 17.206 1.112 -6.457 1.00 0.23 N ATOM 243 CA THR A 17 18.536 1.120 -5.901 1.00 0.27 C ATOM 244 C THR A 17 18.512 1.817 -4.552 1.00 0.28 C ATOM 245 O THR A 17 17.611 2.617 -4.276 1.00 0.28 O ATOM 246 CB THR A 17 19.515 1.850 -6.828 1.00 0.35 C ATOM 247 OG1 THR A 17 19.023 1.813 -8.176 1.00 0.77 O ATOM 248 CG2 THR A 17 20.897 1.214 -6.774 1.00 0.56 C ATOM 0 H THR A 17 16.960 1.962 -6.964 1.00 0.23 H new ATOM 0 HA THR A 17 18.869 0.088 -5.788 1.00 0.27 H new ATOM 0 HB THR A 17 19.598 2.884 -6.492 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.650 2.282 -8.766 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.571 1.751 -7.441 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.280 1.262 -5.755 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.831 0.172 -7.088 1.00 0.56 H new ATOM 256 N VAL A 18 19.481 1.494 -3.713 1.00 0.31 N ATOM 257 CA VAL A 18 19.638 2.147 -2.439 1.00 0.35 C ATOM 258 C VAL A 18 19.807 3.619 -2.641 1.00 0.36 C ATOM 259 O VAL A 18 20.815 4.111 -3.145 1.00 0.39 O ATOM 260 CB VAL A 18 20.840 1.658 -1.644 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.892 2.340 -0.285 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.814 0.155 -1.493 1.00 0.78 C ATOM 0 H VAL A 18 20.176 0.772 -3.902 1.00 0.31 H new ATOM 0 HA VAL A 18 18.737 1.909 -1.874 1.00 0.35 H new ATOM 0 HB VAL A 18 21.743 1.921 -2.194 1.00 0.44 H new ATOM 0 HG11 VAL A 18 21.758 1.979 0.270 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.973 3.418 -0.422 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.983 2.112 0.271 1.00 0.76 H new ATOM 0 HG21 VAL A 18 21.684 -0.168 -0.921 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.905 -0.142 -0.970 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.834 -0.310 -2.479 1.00 0.78 H new ATOM 272 N GLY A 19 18.771 4.272 -2.288 1.00 0.38 N ATOM 273 CA GLY A 19 18.767 5.710 -2.208 1.00 0.45 C ATOM 274 C GLY A 19 17.943 6.385 -3.281 1.00 0.40 C ATOM 275 O GLY A 19 18.043 7.598 -3.451 1.00 0.48 O ATOM 0 H GLY A 19 17.883 3.836 -2.040 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.386 6.008 -1.231 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.794 6.070 -2.273 1.00 0.45 H new ATOM 279 N GLY A 20 17.123 5.635 -4.015 1.00 0.32 N ATOM 280 CA GLY A 20 16.254 6.275 -4.943 1.00 0.32 C ATOM 281 C GLY A 20 14.930 6.535 -4.340 1.00 0.30 C ATOM 282 O GLY A 20 14.782 7.227 -3.340 1.00 0.44 O ATOM 0 H GLY A 20 17.057 4.618 -3.974 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.698 7.214 -5.273 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.137 5.649 -5.828 1.00 0.32 H new ATOM 286 N SER A 21 13.981 5.995 -4.997 1.00 0.24 N ATOM 287 CA SER A 21 12.639 6.032 -4.591 1.00 0.22 C ATOM 288 C SER A 21 11.904 4.828 -5.103 1.00 0.22 C ATOM 289 O SER A 21 12.382 4.085 -5.956 1.00 0.25 O ATOM 290 CB SER A 21 11.986 7.281 -5.101 1.00 0.30 C ATOM 291 OG SER A 21 12.251 7.491 -6.477 1.00 0.82 O ATOM 0 H SER A 21 14.128 5.493 -5.872 1.00 0.24 H new ATOM 0 HA SER A 21 12.604 6.027 -3.502 1.00 0.22 H new ATOM 0 HB2 SER A 21 10.909 7.218 -4.944 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.342 8.137 -4.528 1.00 0.30 H new ATOM 0 HG SER A 21 11.808 8.313 -6.774 1.00 0.82 H new ATOM 297 N ILE A 22 10.745 4.680 -4.562 1.00 0.22 N ATOM 298 CA ILE A 22 9.773 3.758 -5.004 1.00 0.24 C ATOM 299 C ILE A 22 8.421 4.369 -4.779 1.00 0.25 C ATOM 300 O ILE A 22 8.203 5.213 -3.914 1.00 0.27 O ATOM 301 CB ILE A 22 9.873 2.393 -4.329 1.00 0.25 C ATOM 302 CG1 ILE A 22 8.956 1.384 -5.010 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.552 2.452 -2.847 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.278 1.123 -6.466 1.00 0.32 C ATOM 0 H ILE A 22 10.440 5.230 -3.759 1.00 0.22 H new ATOM 0 HA ILE A 22 9.944 3.564 -6.063 1.00 0.24 H new ATOM 0 HB ILE A 22 10.910 2.073 -4.432 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.007 0.441 -4.465 1.00 0.29 H new ATOM 0 HG13 ILE A 22 7.928 1.739 -4.937 1.00 0.29 H new ATOM 0 HG21 ILE A 22 9.638 1.455 -2.416 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.252 3.124 -2.350 1.00 0.29 H new ATOM 0 HG23 ILE A 22 8.535 2.820 -2.709 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.576 0.393 -6.869 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.198 2.053 -7.029 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.293 0.735 -6.550 1.00 0.32 H new ATOM 316 N THR A 23 7.555 3.973 -5.609 1.00 0.25 N ATOM 317 CA THR A 23 6.217 4.515 -5.642 1.00 0.23 C ATOM 318 C THR A 23 5.199 3.416 -5.830 1.00 0.24 C ATOM 319 O THR A 23 5.278 2.608 -6.756 1.00 0.28 O ATOM 320 CB THR A 23 6.040 5.570 -6.743 1.00 0.26 C ATOM 321 OG1 THR A 23 7.129 6.506 -6.701 1.00 0.31 O ATOM 322 CG2 THR A 23 4.719 6.315 -6.566 1.00 0.24 C ATOM 0 H THR A 23 7.730 3.252 -6.309 1.00 0.25 H new ATOM 0 HA THR A 23 6.056 5.003 -4.681 1.00 0.23 H new ATOM 0 HB THR A 23 6.031 5.064 -7.708 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.012 7.176 -7.407 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.612 7.058 -7.356 1.00 0.24 H new ATOM 0 HG22 THR A 23 3.892 5.607 -6.619 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.709 6.812 -5.596 1.00 0.24 H new ATOM 330 N PHE A 24 4.261 3.403 -4.929 1.00 0.24 N ATOM 331 CA PHE A 24 3.185 2.450 -4.930 1.00 0.27 C ATOM 332 C PHE A 24 1.860 3.186 -4.982 1.00 0.24 C ATOM 333 O PHE A 24 1.691 4.232 -4.369 1.00 0.30 O ATOM 334 CB PHE A 24 3.240 1.602 -3.668 1.00 0.40 C ATOM 335 CG PHE A 24 4.544 0.881 -3.464 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.025 0.012 -4.431 1.00 0.46 C ATOM 337 CD2 PHE A 24 5.289 1.071 -2.316 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.223 -0.650 -4.257 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.490 0.410 -2.134 1.00 0.51 C ATOM 340 CZ PHE A 24 6.951 -0.452 -3.068 1.00 0.49 C ATOM 0 H PHE A 24 4.220 4.067 -4.156 1.00 0.24 H new ATOM 0 HA PHE A 24 3.282 1.803 -5.802 1.00 0.27 H new ATOM 0 HB2 PHE A 24 3.053 2.242 -2.806 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.434 0.869 -3.701 1.00 0.40 H new ATOM 0 HD1 PHE A 24 4.454 -0.149 -5.333 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.929 1.744 -1.552 1.00 0.43 H new ATOM 0 HE1 PHE A 24 6.598 -1.312 -5.024 1.00 0.53 H new ATOM 0 HE2 PHE A 24 7.065 0.584 -1.237 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.875 -0.987 -2.903 1.00 0.49 H new ATOM 350 N SER A 25 0.943 2.643 -5.729 1.00 0.28 N ATOM 351 CA SER A 25 -0.393 3.178 -5.824 1.00 0.28 C ATOM 352 C SER A 25 -1.401 2.066 -5.623 1.00 0.27 C ATOM 353 O SER A 25 -1.441 1.095 -6.376 1.00 0.31 O ATOM 354 CB SER A 25 -0.628 3.834 -7.169 1.00 0.35 C ATOM 355 OG SER A 25 0.591 4.022 -7.869 1.00 0.58 O ATOM 0 H SER A 25 1.098 1.809 -6.296 1.00 0.28 H new ATOM 0 HA SER A 25 -0.512 3.934 -5.048 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.301 3.217 -7.765 1.00 0.35 H new ATOM 0 HB3 SER A 25 -1.120 4.796 -7.026 1.00 0.35 H new ATOM 0 HG SER A 25 0.410 4.445 -8.734 1.00 0.58 H new ATOM 361 N ALA A 26 -2.193 2.234 -4.608 1.00 0.26 N ATOM 362 CA ALA A 26 -3.182 1.247 -4.211 1.00 0.26 C ATOM 363 C ALA A 26 -4.583 1.849 -4.233 1.00 0.22 C ATOM 364 O ALA A 26 -4.883 2.784 -3.496 1.00 0.25 O ATOM 365 CB ALA A 26 -2.837 0.710 -2.831 1.00 0.32 C ATOM 0 H ALA A 26 -2.180 3.066 -4.018 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.170 0.421 -4.922 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.579 -0.031 -2.533 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -1.851 0.246 -2.857 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -2.833 1.529 -2.112 1.00 0.32 H new ATOM 371 N ARG A 27 -5.431 1.315 -5.094 1.00 0.22 N ATOM 372 CA ARG A 27 -6.779 1.838 -5.267 1.00 0.25 C ATOM 373 C ARG A 27 -7.807 0.930 -4.614 1.00 0.23 C ATOM 374 O ARG A 27 -7.943 -0.237 -4.990 1.00 0.31 O ATOM 375 CB ARG A 27 -7.093 1.991 -6.750 1.00 0.36 C ATOM 376 CG ARG A 27 -6.308 3.097 -7.417 1.00 0.28 C ATOM 377 CD ARG A 27 -6.490 3.076 -8.923 1.00 0.46 C ATOM 378 NE ARG A 27 -7.883 3.233 -9.337 1.00 1.22 N ATOM 379 CZ ARG A 27 -8.251 3.797 -10.489 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.345 4.366 -11.277 1.00 1.46 N ATOM 381 NH2 ARG A 27 -9.528 3.815 -10.841 1.00 2.43 N ATOM 0 H ARG A 27 -5.211 0.516 -5.688 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.828 2.814 -4.783 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -6.884 1.049 -7.258 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.158 2.188 -6.870 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.630 4.061 -7.024 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.250 2.991 -7.176 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -5.894 3.874 -9.366 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -6.105 2.135 -9.316 1.00 0.46 H new ATOM 0 HE ARG A 27 -8.613 2.893 -8.711 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -6.363 4.373 -11.002 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.632 4.796 -12.157 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -10.231 3.398 -10.231 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -9.808 4.246 -11.722 1.00 2.43 H new ATOM 395 N VAL A 28 -8.546 1.473 -3.659 1.00 0.19 N ATOM 396 CA VAL A 28 -9.527 0.718 -2.943 1.00 0.20 C ATOM 397 C VAL A 28 -10.867 1.370 -3.102 1.00 0.23 C ATOM 398 O VAL A 28 -11.012 2.588 -2.988 1.00 0.24 O ATOM 399 CB VAL A 28 -9.211 0.608 -1.448 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.117 -0.423 -0.786 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.746 0.272 -1.258 1.00 0.23 C ATOM 0 H VAL A 28 -8.473 2.448 -3.369 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.525 -0.289 -3.360 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.404 1.566 -0.966 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -9.879 -0.488 0.276 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.158 -0.123 -0.907 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -9.963 -1.396 -1.253 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.526 0.195 -0.193 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.525 -0.678 -1.744 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.132 1.057 -1.699 1.00 0.23 H new ATOM 411 N ALA A 29 -11.812 0.546 -3.411 1.00 0.29 N ATOM 412 CA ALA A 29 -13.183 0.947 -3.546 1.00 0.32 C ATOM 413 C ALA A 29 -13.713 1.486 -2.238 1.00 0.34 C ATOM 414 O ALA A 29 -13.849 0.759 -1.256 1.00 0.40 O ATOM 415 CB ALA A 29 -14.037 -0.215 -4.029 1.00 0.38 C ATOM 0 H ALA A 29 -11.655 -0.447 -3.581 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.233 1.742 -4.290 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.073 0.110 -4.125 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.673 -0.556 -4.998 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -13.978 -1.033 -3.311 1.00 0.38 H new ATOM 421 N GLY A 30 -13.963 2.781 -2.237 1.00 0.35 N ATOM 422 CA GLY A 30 -14.673 3.412 -1.143 1.00 0.42 C ATOM 423 C GLY A 30 -15.951 2.667 -0.850 1.00 0.50 C ATOM 424 O GLY A 30 -16.379 2.577 0.297 1.00 0.76 O ATOM 0 H GLY A 30 -13.684 3.417 -2.984 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.043 3.430 -0.254 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -14.898 4.448 -1.396 1.00 0.42 H new ATOM 428 N ALA A 31 -16.553 2.156 -1.931 1.00 0.49 N ATOM 429 CA ALA A 31 -17.623 1.173 -1.865 1.00 0.55 C ATOM 430 C ALA A 31 -18.707 1.528 -0.861 1.00 0.64 C ATOM 431 O ALA A 31 -19.090 2.694 -0.713 1.00 0.71 O ATOM 432 CB ALA A 31 -17.010 -0.169 -1.517 1.00 0.58 C ATOM 0 H ALA A 31 -16.302 2.421 -2.883 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.114 1.145 -2.838 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -17.794 -0.924 -1.462 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -16.289 -0.450 -2.285 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -16.505 -0.099 -0.554 1.00 0.58 H new ATOM 438 N SER A 32 -19.221 0.493 -0.229 1.00 0.85 N ATOM 439 CA SER A 32 -20.118 0.622 0.888 1.00 0.96 C ATOM 440 C SER A 32 -19.459 -0.057 2.079 1.00 1.01 C ATOM 441 O SER A 32 -18.610 -0.921 1.886 1.00 1.69 O ATOM 442 CB SER A 32 -21.454 -0.049 0.568 1.00 1.19 C ATOM 443 OG SER A 32 -21.744 0.038 -0.815 1.00 1.74 O ATOM 0 H SER A 32 -19.021 -0.474 -0.485 1.00 0.85 H new ATOM 0 HA SER A 32 -20.315 1.672 1.106 1.00 0.96 H new ATOM 0 HB2 SER A 32 -21.422 -1.095 0.872 1.00 1.19 H new ATOM 0 HB3 SER A 32 -22.250 0.425 1.141 1.00 1.19 H new ATOM 0 HG SER A 32 -22.602 -0.399 -0.997 1.00 1.74 H new ATOM 449 N LEU A 33 -19.825 0.362 3.280 1.00 0.96 N ATOM 450 CA LEU A 33 -19.337 -0.220 4.532 1.00 0.93 C ATOM 451 C LEU A 33 -19.809 0.672 5.663 1.00 0.90 C ATOM 452 O LEU A 33 -19.986 1.875 5.468 1.00 0.98 O ATOM 453 CB LEU A 33 -17.787 -0.388 4.525 1.00 0.99 C ATOM 454 CG LEU A 33 -17.058 -0.491 5.883 1.00 1.26 C ATOM 455 CD1 LEU A 33 -17.676 -1.530 6.813 1.00 2.16 C ATOM 456 CD2 LEU A 33 -15.582 -0.799 5.730 1.00 1.95 C ATOM 0 H LEU A 33 -20.481 1.130 3.421 1.00 0.96 H new ATOM 0 HA LEU A 33 -19.737 -1.226 4.662 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -17.552 -1.285 3.952 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -17.363 0.457 3.983 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.175 0.496 6.330 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -17.120 -1.556 7.750 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -18.714 -1.267 7.014 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -17.635 -2.511 6.340 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -15.119 -0.860 6.715 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -15.461 -1.750 5.212 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -15.103 -0.008 5.153 1.00 1.95 H new ATOM 468 N LEU A 34 -20.077 0.068 6.810 1.00 0.87 N ATOM 469 CA LEU A 34 -20.464 0.792 8.006 1.00 0.89 C ATOM 470 C LEU A 34 -19.573 2.017 8.223 1.00 0.84 C ATOM 471 O LEU A 34 -20.029 3.098 8.584 1.00 0.95 O ATOM 472 CB LEU A 34 -20.360 -0.123 9.213 1.00 1.01 C ATOM 473 CG LEU A 34 -20.979 0.465 10.463 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.489 0.539 10.319 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.581 -0.330 11.697 1.00 1.47 C ATOM 0 H LEU A 34 -20.031 -0.943 6.936 1.00 0.87 H new ATOM 0 HA LEU A 34 -21.493 1.130 7.880 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -20.848 -1.071 8.985 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.310 -0.343 9.405 1.00 1.01 H new ATOM 0 HG LEU A 34 -20.599 1.478 10.591 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -22.921 0.964 11.225 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -22.743 1.169 9.466 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -22.889 -0.463 10.162 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.040 0.115 12.580 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -20.921 -1.360 11.591 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.496 -0.315 11.805 1.00 1.47 H new ATOM 487 N LYS A 35 -18.298 1.801 8.000 1.00 0.76 N ATOM 488 CA LYS A 35 -17.269 2.824 8.057 1.00 0.76 C ATOM 489 C LYS A 35 -16.577 2.879 6.694 1.00 0.65 C ATOM 490 O LYS A 35 -16.993 2.197 5.774 1.00 0.75 O ATOM 491 CB LYS A 35 -16.299 2.509 9.212 1.00 0.90 C ATOM 492 CG LYS A 35 -16.206 1.037 9.578 1.00 0.92 C ATOM 493 CD LYS A 35 -15.110 0.322 8.811 1.00 0.90 C ATOM 494 CE LYS A 35 -14.906 -1.090 9.344 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.547 -1.106 10.793 1.00 1.40 N ATOM 0 H LYS A 35 -17.932 0.878 7.766 1.00 0.76 H new ATOM 0 HA LYS A 35 -17.690 3.809 8.261 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -15.305 2.866 8.942 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -16.610 3.070 10.093 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -16.019 0.942 10.648 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.162 0.554 9.377 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.368 0.282 7.753 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.179 0.883 8.891 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.818 -1.668 9.192 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.119 -1.581 8.772 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -13.771 -1.780 10.951 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.245 -0.155 11.086 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.375 -1.394 11.353 1.00 1.40 H new ATOM 509 N PRO A 36 -15.589 3.736 6.493 1.00 0.65 N ATOM 510 CA PRO A 36 -14.757 3.671 5.304 1.00 0.56 C ATOM 511 C PRO A 36 -13.920 2.404 5.358 1.00 0.45 C ATOM 512 O PRO A 36 -13.646 1.895 6.447 1.00 0.47 O ATOM 513 CB PRO A 36 -13.867 4.922 5.392 1.00 0.61 C ATOM 514 CG PRO A 36 -14.423 5.730 6.517 1.00 0.88 C ATOM 515 CD PRO A 36 -15.143 4.757 7.406 1.00 0.88 C ATOM 0 HA PRO A 36 -15.325 3.646 4.374 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -12.828 4.652 5.579 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -13.887 5.484 4.458 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -13.629 6.242 7.060 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.102 6.498 6.148 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -14.484 4.350 8.173 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -15.980 5.228 7.922 1.00 0.88 H new ATOM 523 N PRO A 37 -13.508 1.866 4.211 1.00 0.40 N ATOM 524 CA PRO A 37 -12.766 0.609 4.168 1.00 0.35 C ATOM 525 C PRO A 37 -11.473 0.705 4.928 1.00 0.32 C ATOM 526 O PRO A 37 -10.738 1.688 4.826 1.00 0.36 O ATOM 527 CB PRO A 37 -12.488 0.384 2.699 1.00 0.40 C ATOM 528 CG PRO A 37 -13.461 1.274 1.985 1.00 0.53 C ATOM 529 CD PRO A 37 -13.688 2.445 2.875 1.00 0.47 C ATOM 0 HA PRO A 37 -13.328 -0.205 4.626 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -11.459 0.640 2.447 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.632 -0.661 2.424 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -13.063 1.590 1.021 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -14.396 0.749 1.788 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -12.976 3.247 2.681 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.685 2.866 2.746 1.00 0.47 H new ATOM 537 N VAL A 38 -11.197 -0.330 5.672 1.00 0.29 N ATOM 538 CA VAL A 38 -10.011 -0.364 6.461 1.00 0.27 C ATOM 539 C VAL A 38 -9.004 -1.146 5.696 1.00 0.22 C ATOM 540 O VAL A 38 -9.039 -2.369 5.617 1.00 0.20 O ATOM 541 CB VAL A 38 -10.180 -1.041 7.816 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.127 -0.552 8.802 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.580 -0.857 8.368 1.00 0.77 C ATOM 0 H VAL A 38 -11.784 -1.161 5.744 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.721 0.668 6.656 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.034 -2.111 7.668 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.268 -1.049 9.762 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.133 -0.782 8.417 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.225 0.526 8.934 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.658 -1.355 9.335 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.786 0.206 8.489 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.303 -1.290 7.677 1.00 0.77 H new ATOM 553 N VAL A 39 -8.139 -0.413 5.129 1.00 0.22 N ATOM 554 CA VAL A 39 -7.024 -0.940 4.429 1.00 0.21 C ATOM 555 C VAL A 39 -5.818 -0.677 5.270 1.00 0.20 C ATOM 556 O VAL A 39 -5.446 0.474 5.507 1.00 0.23 O ATOM 557 CB VAL A 39 -6.782 -0.244 3.092 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.969 -1.129 2.157 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.086 0.207 2.458 1.00 0.24 C ATOM 0 H VAL A 39 -8.179 0.606 5.133 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.213 -1.996 4.239 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.195 0.655 3.281 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.810 -0.610 1.212 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -5.005 -1.353 2.614 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.509 -2.058 1.975 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.878 0.699 1.508 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.726 -0.659 2.286 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.592 0.905 3.124 1.00 0.24 H new ATOM 569 N LYS A 40 -5.229 -1.719 5.727 1.00 0.19 N ATOM 570 CA LYS A 40 -4.006 -1.624 6.419 1.00 0.20 C ATOM 571 C LYS A 40 -2.903 -2.086 5.531 1.00 0.19 C ATOM 572 O LYS A 40 -2.953 -3.131 4.875 1.00 0.21 O ATOM 573 CB LYS A 40 -4.024 -2.376 7.739 1.00 0.26 C ATOM 574 CG LYS A 40 -4.181 -3.880 7.629 1.00 0.31 C ATOM 575 CD LYS A 40 -2.825 -4.576 7.508 1.00 0.37 C ATOM 576 CE LYS A 40 -2.950 -6.089 7.519 1.00 0.86 C ATOM 577 NZ LYS A 40 -3.308 -6.616 8.856 1.00 1.54 N ATOM 0 H LYS A 40 -5.588 -2.669 5.629 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.839 -0.579 6.681 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -3.097 -2.163 8.272 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.839 -1.986 8.349 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.708 -4.257 8.505 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.794 -4.121 6.760 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -2.339 -4.261 6.585 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.183 -4.261 8.330 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -3.707 -6.394 6.797 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.007 -6.531 7.198 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -3.282 -7.656 8.838 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -2.629 -6.265 9.561 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 -4.265 -6.298 9.110 1.00 1.54 H new ATOM 591 N TRP A 41 -1.964 -1.226 5.468 1.00 0.18 N ATOM 592 CA TRP A 41 -0.758 -1.446 4.727 1.00 0.19 C ATOM 593 C TRP A 41 0.256 -2.197 5.551 1.00 0.21 C ATOM 594 O TRP A 41 0.271 -2.133 6.780 1.00 0.28 O ATOM 595 CB TRP A 41 -0.163 -0.120 4.319 1.00 0.21 C ATOM 596 CG TRP A 41 -0.906 0.546 3.225 1.00 0.21 C ATOM 597 CD1 TRP A 41 -2.039 1.297 3.335 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.569 0.508 1.843 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.397 1.770 2.093 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.522 1.281 1.167 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.448 -0.107 1.110 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.482 1.468 -0.200 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.480 0.076 -0.256 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.485 0.852 -0.898 1.00 0.33 C ATOM 0 H TRP A 41 -2.000 -0.321 5.938 1.00 0.18 H new ATOM 0 HA TRP A 41 -1.008 -2.038 3.846 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.138 0.541 5.186 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.869 -0.274 4.006 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.572 1.491 4.254 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.187 2.385 1.897 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.194 -0.713 1.603 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.216 2.082 -0.701 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 1.263 -0.388 -0.837 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.442 0.968 -1.971 1.00 0.33 H new ATOM 615 N PHE A 42 1.109 -2.877 4.842 1.00 0.21 N ATOM 616 CA PHE A 42 2.247 -3.530 5.419 1.00 0.23 C ATOM 617 C PHE A 42 3.429 -3.023 4.640 1.00 0.26 C ATOM 618 O PHE A 42 3.341 -2.843 3.434 1.00 0.34 O ATOM 619 CB PHE A 42 2.121 -5.057 5.317 1.00 0.26 C ATOM 620 CG PHE A 42 3.040 -5.829 6.227 1.00 0.30 C ATOM 621 CD1 PHE A 42 2.679 -6.083 7.542 1.00 0.49 C ATOM 622 CD2 PHE A 42 4.260 -6.308 5.770 1.00 0.37 C ATOM 623 CE1 PHE A 42 3.513 -6.795 8.384 1.00 0.62 C ATOM 624 CE2 PHE A 42 5.099 -7.022 6.610 1.00 0.50 C ATOM 625 CZ PHE A 42 4.724 -7.264 7.918 1.00 0.60 C ATOM 0 H PHE A 42 1.032 -2.995 3.832 1.00 0.21 H new ATOM 0 HA PHE A 42 2.344 -3.313 6.483 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.092 -5.338 5.540 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.317 -5.356 4.287 1.00 0.26 H new ATOM 0 HD1 PHE A 42 1.732 -5.719 7.914 1.00 0.49 H new ATOM 0 HD2 PHE A 42 4.558 -6.122 4.749 1.00 0.37 H new ATOM 0 HE1 PHE A 42 3.217 -6.984 9.405 1.00 0.62 H new ATOM 0 HE2 PHE A 42 6.046 -7.389 6.243 1.00 0.50 H new ATOM 0 HZ PHE A 42 5.378 -7.819 8.574 1.00 0.60 H new ATOM 635 N LYS A 43 4.490 -2.732 5.319 1.00 0.28 N ATOM 636 CA LYS A 43 5.647 -2.136 4.703 1.00 0.31 C ATOM 637 C LYS A 43 6.673 -3.249 4.592 1.00 0.39 C ATOM 638 O LYS A 43 6.517 -4.202 5.313 1.00 0.81 O ATOM 639 CB LYS A 43 6.143 -0.947 5.558 1.00 0.40 C ATOM 640 CG LYS A 43 7.517 -0.398 5.211 1.00 0.54 C ATOM 641 CD LYS A 43 7.854 0.780 6.109 1.00 0.67 C ATOM 642 CE LYS A 43 9.330 1.120 6.072 1.00 1.29 C ATOM 643 NZ LYS A 43 9.681 2.129 7.105 1.00 2.17 N ATOM 0 H LYS A 43 4.587 -2.899 6.321 1.00 0.28 H new ATOM 0 HA LYS A 43 5.437 -1.725 3.716 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.419 -0.137 5.471 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.152 -1.257 6.603 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.268 -1.179 5.326 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.539 -0.086 4.167 1.00 0.54 H new ATOM 0 HD2 LYS A 43 7.274 1.649 5.799 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.561 0.550 7.133 1.00 0.67 H new ATOM 0 HE2 LYS A 43 9.917 0.215 6.231 1.00 1.29 H new ATOM 0 HE3 LYS A 43 9.592 1.501 5.085 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 10.698 2.340 7.053 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.138 3.000 6.938 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 9.453 1.754 8.048 1.00 2.17 H new ATOM 657 N GLY A 44 7.721 -3.040 3.781 1.00 0.64 N ATOM 658 CA GLY A 44 8.824 -3.987 3.487 1.00 0.92 C ATOM 659 C GLY A 44 8.953 -5.278 4.310 1.00 0.39 C ATOM 660 O GLY A 44 8.002 -5.819 4.773 1.00 1.23 O ATOM 0 H GLY A 44 7.834 -2.158 3.281 1.00 0.64 H new ATOM 0 HA2 GLY A 44 8.737 -4.275 2.439 1.00 0.92 H new ATOM 0 HA3 GLY A 44 9.761 -3.439 3.590 1.00 0.92 H new ATOM 664 N LYS A 45 10.069 -5.953 4.156 1.00 0.85 N ATOM 665 CA LYS A 45 10.235 -7.337 4.643 1.00 1.06 C ATOM 666 C LYS A 45 9.730 -7.640 6.084 1.00 0.74 C ATOM 667 O LYS A 45 9.821 -8.788 6.520 1.00 0.82 O ATOM 668 CB LYS A 45 11.721 -7.684 4.567 1.00 1.67 C ATOM 669 CG LYS A 45 12.060 -8.601 3.404 1.00 2.44 C ATOM 670 CD LYS A 45 13.532 -8.966 3.376 1.00 2.82 C ATOM 671 CE LYS A 45 13.911 -9.813 4.577 1.00 2.98 C ATOM 672 NZ LYS A 45 15.244 -10.445 4.408 1.00 3.87 N ATOM 0 H LYS A 45 10.896 -5.575 3.693 1.00 0.85 H new ATOM 0 HA LYS A 45 9.602 -7.946 3.998 1.00 1.06 H new ATOM 0 HB2 LYS A 45 12.299 -6.764 4.477 1.00 1.67 H new ATOM 0 HB3 LYS A 45 12.025 -8.161 5.499 1.00 1.67 H new ATOM 0 HG2 LYS A 45 11.463 -9.510 3.474 1.00 2.44 H new ATOM 0 HG3 LYS A 45 11.790 -8.113 2.467 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.757 -9.510 2.459 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.134 -8.058 3.364 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.914 -9.192 5.473 1.00 2.98 H new ATOM 0 HE3 LYS A 45 13.158 -10.587 4.728 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.467 -11.015 5.249 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.234 -11.057 3.567 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 15.966 -9.706 4.289 1.00 3.87 H new ATOM 686 N TRP A 46 9.210 -6.653 6.823 1.00 0.58 N ATOM 687 CA TRP A 46 8.714 -6.893 8.186 1.00 0.57 C ATOM 688 C TRP A 46 7.856 -5.756 8.758 1.00 0.63 C ATOM 689 O TRP A 46 7.240 -5.908 9.814 1.00 0.74 O ATOM 690 CB TRP A 46 9.901 -7.064 9.101 1.00 0.76 C ATOM 691 CG TRP A 46 10.986 -6.076 8.825 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.949 -6.167 7.868 1.00 1.19 C ATOM 693 CD2 TRP A 46 11.202 -4.840 9.500 1.00 1.27 C ATOM 694 NE1 TRP A 46 12.734 -5.048 7.881 1.00 1.38 N ATOM 695 CE2 TRP A 46 12.305 -4.215 8.890 1.00 1.42 C ATOM 696 CE3 TRP A 46 10.565 -4.205 10.565 1.00 1.66 C ATOM 697 CZ2 TRP A 46 12.774 -2.969 9.310 1.00 1.78 C ATOM 698 CZ3 TRP A 46 11.028 -2.978 10.981 1.00 2.10 C ATOM 699 CH2 TRP A 46 12.120 -2.369 10.359 1.00 2.11 C ATOM 0 H TRP A 46 9.121 -5.688 6.505 1.00 0.58 H new ATOM 0 HA TRP A 46 8.081 -7.778 8.128 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.575 -6.960 10.136 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.297 -8.073 8.991 1.00 0.76 H new ATOM 0 HD1 TRP A 46 12.075 -7.003 7.195 1.00 1.19 H new ATOM 0 HE1 TRP A 46 13.511 -4.861 7.247 1.00 1.38 H new ATOM 0 HE3 TRP A 46 9.722 -4.669 11.056 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 13.617 -2.495 8.830 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 10.538 -2.477 11.803 1.00 2.10 H new ATOM 0 HH2 TRP A 46 12.458 -1.405 10.710 1.00 2.11 H new ATOM 710 N VAL A 47 7.830 -4.639 8.074 1.00 0.63 N ATOM 711 CA VAL A 47 7.404 -3.402 8.609 1.00 0.74 C ATOM 712 C VAL A 47 5.933 -3.137 8.357 1.00 0.59 C ATOM 713 O VAL A 47 5.233 -3.841 7.641 1.00 0.57 O ATOM 714 CB VAL A 47 8.220 -2.236 8.013 1.00 0.90 C ATOM 715 CG1 VAL A 47 8.810 -1.398 9.115 1.00 1.20 C ATOM 716 CG2 VAL A 47 9.326 -2.713 7.073 1.00 1.29 C ATOM 0 H VAL A 47 8.118 -4.581 7.097 1.00 0.63 H new ATOM 0 HA VAL A 47 7.566 -3.466 9.685 1.00 0.74 H new ATOM 0 HB VAL A 47 7.530 -1.635 7.421 1.00 0.90 H new ATOM 0 HG11 VAL A 47 9.383 -0.579 8.682 1.00 1.20 H new ATOM 0 HG12 VAL A 47 8.009 -0.993 9.733 1.00 1.20 H new ATOM 0 HG13 VAL A 47 9.466 -2.015 9.730 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.868 -1.852 6.683 1.00 1.29 H new ATOM 0 HG22 VAL A 47 10.014 -3.358 7.619 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.886 -3.270 6.246 1.00 1.29 H new ATOM 726 N ASP A 48 5.510 -2.116 9.019 1.00 0.60 N ATOM 727 CA ASP A 48 4.231 -1.505 8.901 1.00 0.56 C ATOM 728 C ASP A 48 4.437 -0.127 8.312 1.00 0.58 C ATOM 729 O ASP A 48 5.548 0.379 8.334 1.00 0.96 O ATOM 730 CB ASP A 48 3.613 -1.372 10.276 1.00 0.73 C ATOM 731 CG ASP A 48 4.502 -0.649 11.254 1.00 1.88 C ATOM 732 OD1 ASP A 48 5.502 -1.231 11.712 1.00 2.73 O ATOM 733 OD2 ASP A 48 4.194 0.513 11.573 1.00 2.22 O ATOM 0 H ASP A 48 6.096 -1.650 9.712 1.00 0.60 H new ATOM 0 HA ASP A 48 3.573 -2.102 8.269 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.666 -0.839 10.192 1.00 0.73 H new ATOM 0 HB3 ASP A 48 3.387 -2.365 10.664 1.00 0.73 H new ATOM 738 N LEU A 49 3.420 0.439 7.717 1.00 0.39 N ATOM 739 CA LEU A 49 3.454 1.845 7.340 1.00 0.35 C ATOM 740 C LEU A 49 2.752 2.713 8.336 1.00 0.41 C ATOM 741 O LEU A 49 3.232 3.793 8.635 1.00 0.44 O ATOM 742 CB LEU A 49 2.810 2.108 5.987 1.00 0.29 C ATOM 743 CG LEU A 49 3.500 1.535 4.762 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.132 0.102 4.524 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.112 2.314 3.543 1.00 0.28 C ATOM 0 H LEU A 49 2.554 -0.044 7.479 1.00 0.39 H new ATOM 0 HA LEU A 49 4.515 2.091 7.299 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.794 1.715 6.016 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.731 3.187 5.855 1.00 0.29 H new ATOM 0 HG LEU A 49 4.572 1.601 4.947 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.650 -0.264 3.637 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.423 -0.497 5.387 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.055 0.023 4.374 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.612 1.896 2.669 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.032 2.259 3.404 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.409 3.355 3.667 1.00 0.28 H new ATOM 757 N SER A 50 1.666 2.217 8.891 1.00 0.48 N ATOM 758 CA SER A 50 0.696 3.041 9.575 1.00 0.58 C ATOM 759 C SER A 50 1.369 3.793 10.695 1.00 0.62 C ATOM 760 O SER A 50 0.874 4.819 11.162 1.00 0.70 O ATOM 761 CB SER A 50 -0.451 2.174 10.106 1.00 0.73 C ATOM 762 OG SER A 50 -1.581 2.962 10.436 1.00 1.23 O ATOM 0 H SER A 50 1.432 1.224 8.879 1.00 0.48 H new ATOM 0 HA SER A 50 0.277 3.764 8.876 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.728 1.434 9.355 1.00 0.73 H new ATOM 0 HB3 SER A 50 -0.118 1.625 10.987 1.00 0.73 H new ATOM 0 HG SER A 50 -2.297 2.383 10.770 1.00 1.23 H new ATOM 768 N SER A 51 2.513 3.288 11.124 1.00 0.64 N ATOM 769 CA SER A 51 3.182 3.897 12.212 1.00 0.75 C ATOM 770 C SER A 51 4.334 4.789 11.773 1.00 0.72 C ATOM 771 O SER A 51 4.776 5.672 12.506 1.00 0.85 O ATOM 772 CB SER A 51 3.646 2.851 13.204 1.00 0.90 C ATOM 773 OG SER A 51 2.567 2.374 13.993 1.00 1.34 O ATOM 0 H SER A 51 2.976 2.469 10.729 1.00 0.64 H new ATOM 0 HA SER A 51 2.461 4.550 12.703 1.00 0.75 H new ATOM 0 HB2 SER A 51 4.105 2.019 12.670 1.00 0.90 H new ATOM 0 HB3 SER A 51 4.413 3.276 13.852 1.00 0.90 H new ATOM 0 HG SER A 51 2.896 1.699 14.623 1.00 1.34 H new ATOM 779 N LYS A 52 4.813 4.542 10.580 1.00 0.62 N ATOM 780 CA LYS A 52 5.981 5.213 10.066 1.00 0.66 C ATOM 781 C LYS A 52 5.595 6.433 9.243 1.00 0.67 C ATOM 782 O LYS A 52 5.889 7.561 9.633 1.00 1.09 O ATOM 783 CB LYS A 52 6.820 4.246 9.225 1.00 0.65 C ATOM 784 CG LYS A 52 6.463 2.770 9.349 1.00 0.70 C ATOM 785 CD LYS A 52 6.475 2.225 10.774 1.00 0.78 C ATOM 786 CE LYS A 52 7.871 2.128 11.357 1.00 1.02 C ATOM 787 NZ LYS A 52 7.838 1.616 12.752 1.00 1.40 N ATOM 0 H LYS A 52 4.402 3.867 9.935 1.00 0.62 H new ATOM 0 HA LYS A 52 6.577 5.553 10.913 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.730 4.534 8.178 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.867 4.370 9.501 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.472 2.614 8.924 1.00 0.70 H new ATOM 0 HG3 LYS A 52 7.163 2.190 8.747 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.866 2.868 11.409 1.00 0.78 H new ATOM 0 HD3 LYS A 52 6.013 1.238 10.784 1.00 0.78 H new ATOM 0 HE2 LYS A 52 8.481 1.468 10.739 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.344 3.110 11.338 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 8.807 1.560 13.124 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.276 2.259 13.345 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 7.408 0.669 12.764 1.00 1.40 H new ATOM 801 N VAL A 53 4.973 6.149 8.098 1.00 0.34 N ATOM 802 CA VAL A 53 4.389 7.111 7.169 1.00 0.32 C ATOM 803 C VAL A 53 4.801 8.549 7.443 1.00 0.33 C ATOM 804 O VAL A 53 4.214 9.251 8.265 1.00 0.37 O ATOM 805 CB VAL A 53 2.858 6.938 7.155 1.00 0.32 C ATOM 806 CG1 VAL A 53 2.146 7.985 6.320 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.502 5.575 6.619 1.00 0.35 C ATOM 0 H VAL A 53 4.858 5.187 7.778 1.00 0.34 H new ATOM 0 HA VAL A 53 4.785 6.897 6.176 1.00 0.32 H new ATOM 0 HB VAL A 53 2.527 7.055 8.187 1.00 0.32 H new ATOM 0 HG11 VAL A 53 1.071 7.807 6.352 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.361 8.976 6.719 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.493 7.925 5.288 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.418 5.459 6.612 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.885 5.472 5.604 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.945 4.807 7.254 1.00 0.35 H new ATOM 817 N GLY A 54 5.852 8.945 6.759 1.00 0.35 N ATOM 818 CA GLY A 54 6.402 10.264 6.928 1.00 0.41 C ATOM 819 C GLY A 54 7.231 10.639 5.734 1.00 0.44 C ATOM 820 O GLY A 54 7.033 10.078 4.675 1.00 0.70 O ATOM 0 H GLY A 54 6.342 8.366 6.078 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.597 10.987 7.062 1.00 0.41 H new ATOM 0 HA3 GLY A 54 7.014 10.298 7.829 1.00 0.41 H new ATOM 824 N GLN A 55 8.194 11.530 5.908 1.00 0.36 N ATOM 825 CA GLN A 55 8.948 12.086 4.780 1.00 0.43 C ATOM 826 C GLN A 55 9.783 11.046 4.013 1.00 0.39 C ATOM 827 O GLN A 55 10.366 11.364 2.981 1.00 0.50 O ATOM 828 CB GLN A 55 9.833 13.232 5.259 1.00 0.61 C ATOM 829 CG GLN A 55 9.038 14.438 5.723 1.00 1.43 C ATOM 830 CD GLN A 55 9.921 15.586 6.170 1.00 2.08 C ATOM 831 OE1 GLN A 55 10.278 15.692 7.343 1.00 2.75 O ATOM 832 NE2 GLN A 55 10.278 16.449 5.236 1.00 2.69 N ATOM 0 H GLN A 55 8.478 11.889 6.820 1.00 0.36 H new ATOM 0 HA GLN A 55 8.208 12.455 4.069 1.00 0.43 H new ATOM 0 HB2 GLN A 55 10.462 12.881 6.077 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.500 13.532 4.450 1.00 0.61 H new ATOM 0 HG2 GLN A 55 8.393 14.776 4.912 1.00 1.43 H new ATOM 0 HG3 GLN A 55 8.387 14.144 6.547 1.00 1.43 H new ATOM 0 HE21 GLN A 55 9.959 16.322 4.276 1.00 2.69 H new ATOM 0 HE22 GLN A 55 10.873 17.242 5.475 1.00 2.69 H new ATOM 841 N HIS A 56 9.826 9.810 4.494 1.00 0.36 N ATOM 842 CA HIS A 56 10.506 8.735 3.764 1.00 0.41 C ATOM 843 C HIS A 56 9.497 7.848 3.040 1.00 0.35 C ATOM 844 O HIS A 56 9.696 7.441 1.902 1.00 0.42 O ATOM 845 CB HIS A 56 11.323 7.887 4.747 1.00 0.54 C ATOM 846 CG HIS A 56 11.693 6.533 4.220 1.00 0.58 C ATOM 847 ND1 HIS A 56 10.799 5.488 4.193 1.00 0.87 N ATOM 848 CD2 HIS A 56 12.823 6.073 3.644 1.00 1.06 C ATOM 849 CE1 HIS A 56 11.355 4.448 3.620 1.00 1.11 C ATOM 850 NE2 HIS A 56 12.590 4.770 3.272 1.00 1.33 N ATOM 0 H HIS A 56 9.404 9.524 5.377 1.00 0.36 H new ATOM 0 HA HIS A 56 11.167 9.183 3.022 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.234 8.426 5.007 1.00 0.54 H new ATOM 0 HB3 HIS A 56 10.752 7.764 5.667 1.00 0.54 H new ATOM 0 HD2 HIS A 56 13.740 6.625 3.502 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.884 3.490 3.459 1.00 1.11 H new ATOM 0 HE2 HIS A 56 13.257 4.155 2.806 1.00 1.33 H new ATOM 859 N LEU A 57 8.420 7.573 3.726 1.00 0.28 N ATOM 860 CA LEU A 57 7.326 6.784 3.214 1.00 0.25 C ATOM 861 C LEU A 57 6.084 7.560 3.496 1.00 0.23 C ATOM 862 O LEU A 57 5.613 7.583 4.617 1.00 0.29 O ATOM 863 CB LEU A 57 7.341 5.418 3.955 1.00 0.38 C ATOM 864 CG LEU A 57 6.161 4.421 3.867 1.00 0.28 C ATOM 865 CD1 LEU A 57 5.741 4.031 5.270 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.958 4.936 3.090 1.00 1.10 C ATOM 0 H LEU A 57 8.273 7.899 4.681 1.00 0.28 H new ATOM 0 HA LEU A 57 7.394 6.587 2.144 1.00 0.25 H new ATOM 0 HB2 LEU A 57 8.228 4.885 3.613 1.00 0.38 H new ATOM 0 HB3 LEU A 57 7.489 5.636 5.013 1.00 0.38 H new ATOM 0 HG LEU A 57 6.523 3.559 3.306 1.00 0.28 H new ATOM 0 HD11 LEU A 57 4.909 3.328 5.219 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.580 3.563 5.784 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.431 4.921 5.817 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.179 4.174 3.078 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.576 5.838 3.567 1.00 1.10 H new ATOM 0 HD23 LEU A 57 5.257 5.165 2.067 1.00 1.10 H new ATOM 878 N GLN A 58 5.544 8.158 2.476 1.00 0.20 N ATOM 879 CA GLN A 58 4.287 8.785 2.600 1.00 0.21 C ATOM 880 C GLN A 58 3.291 7.767 2.135 1.00 0.18 C ATOM 881 O GLN A 58 3.273 7.367 0.978 1.00 0.19 O ATOM 882 CB GLN A 58 4.170 10.075 1.751 1.00 0.27 C ATOM 883 CG GLN A 58 5.447 10.556 1.042 1.00 0.46 C ATOM 884 CD GLN A 58 6.589 10.874 1.982 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.582 11.924 2.627 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.643 10.058 1.962 1.00 0.28 N ATOM 0 H GLN A 58 5.966 8.218 1.550 1.00 0.20 H new ATOM 0 HA GLN A 58 4.123 9.102 3.630 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.401 9.916 0.995 1.00 0.27 H new ATOM 0 HB3 GLN A 58 3.818 10.878 2.399 1.00 0.27 H new ATOM 0 HG2 GLN A 58 5.771 9.789 0.339 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.213 11.445 0.457 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.611 9.197 1.416 1.00 0.28 H new ATOM 0 HE22 GLN A 58 8.481 10.295 2.493 1.00 0.28 H new ATOM 895 N LEU A 59 2.500 7.337 3.051 1.00 0.20 N ATOM 896 CA LEU A 59 1.367 6.519 2.745 1.00 0.20 C ATOM 897 C LEU A 59 0.201 7.470 2.809 1.00 0.21 C ATOM 898 O LEU A 59 -0.373 7.724 3.869 1.00 0.23 O ATOM 899 CB LEU A 59 1.244 5.356 3.762 1.00 0.23 C ATOM 900 CG LEU A 59 0.262 4.222 3.458 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.011 3.490 4.757 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.031 4.724 2.838 1.00 0.23 C ATOM 0 H LEU A 59 2.616 7.541 4.044 1.00 0.20 H new ATOM 0 HA LEU A 59 1.433 6.035 1.770 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.233 4.915 3.882 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.967 5.785 4.725 1.00 0.23 H new ATOM 0 HG LEU A 59 0.692 3.550 2.715 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.687 2.671 4.584 1.00 0.26 H new ATOM 0 HD12 LEU A 59 0.951 3.092 5.138 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.413 4.179 5.487 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.692 3.880 2.642 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.519 5.416 3.525 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.810 5.237 1.902 1.00 0.23 H new ATOM 914 N HIS A 60 -0.099 8.033 1.668 1.00 0.22 N ATOM 915 CA HIS A 60 -1.109 9.011 1.551 1.00 0.25 C ATOM 916 C HIS A 60 -2.295 8.414 0.885 1.00 0.24 C ATOM 917 O HIS A 60 -2.250 7.351 0.290 1.00 0.26 O ATOM 918 CB HIS A 60 -0.615 10.249 0.801 1.00 0.37 C ATOM 919 CG HIS A 60 -1.565 11.413 0.817 1.00 0.79 C ATOM 920 ND1 HIS A 60 -2.147 11.901 1.970 1.00 1.48 N ATOM 921 CD2 HIS A 60 -2.046 12.177 -0.193 1.00 1.65 C ATOM 922 CE1 HIS A 60 -2.942 12.909 1.668 1.00 1.91 C ATOM 923 NE2 HIS A 60 -2.896 13.095 0.365 1.00 2.03 N ATOM 0 H HIS A 60 0.368 7.810 0.789 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.390 9.345 2.550 1.00 0.25 H new ATOM 0 HB2 HIS A 60 0.333 10.566 1.235 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -0.416 9.974 -0.235 1.00 0.37 H new ATOM 0 HD2 HIS A 60 -1.805 12.080 -1.241 1.00 1.65 H new ATOM 0 HE1 HIS A 60 -3.530 13.483 2.369 1.00 1.91 H new ATOM 0 HE2 HIS A 60 -3.412 13.810 -0.148 1.00 2.03 H new ATOM 932 N ASP A 61 -3.342 9.105 1.057 1.00 0.29 N ATOM 933 CA ASP A 61 -4.625 8.725 0.600 1.00 0.32 C ATOM 934 C ASP A 61 -5.260 9.824 -0.181 1.00 0.35 C ATOM 935 O ASP A 61 -5.375 10.978 0.234 1.00 0.48 O ATOM 936 CB ASP A 61 -5.555 8.308 1.714 1.00 0.44 C ATOM 937 CG ASP A 61 -5.291 8.974 3.062 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.759 10.106 3.100 1.00 0.73 O ATOM 939 OD2 ASP A 61 -5.635 8.365 4.100 1.00 0.92 O ATOM 0 H ASP A 61 -3.337 10.000 1.545 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.465 7.856 -0.039 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.579 8.527 1.412 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.484 7.228 1.840 1.00 0.44 H new ATOM 944 N SER A 62 -5.620 9.417 -1.330 1.00 0.29 N ATOM 945 CA SER A 62 -6.447 10.185 -2.224 1.00 0.32 C ATOM 946 C SER A 62 -7.851 9.673 -2.074 1.00 0.32 C ATOM 947 O SER A 62 -8.059 8.490 -1.822 1.00 0.41 O ATOM 948 CB SER A 62 -5.995 10.056 -3.670 1.00 0.40 C ATOM 949 OG SER A 62 -4.579 10.030 -3.763 1.00 0.47 O ATOM 0 H SER A 62 -5.348 8.509 -1.707 1.00 0.29 H new ATOM 0 HA SER A 62 -6.377 11.243 -1.970 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.408 9.145 -4.103 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.385 10.891 -4.252 1.00 0.40 H new ATOM 0 HG SER A 62 -4.307 10.264 -4.675 1.00 0.47 H new ATOM 955 N TYR A 63 -8.806 10.542 -2.230 1.00 0.38 N ATOM 956 CA TYR A 63 -10.151 10.211 -1.873 1.00 0.45 C ATOM 957 C TYR A 63 -11.153 10.825 -2.801 1.00 0.47 C ATOM 958 O TYR A 63 -11.448 12.020 -2.747 1.00 0.54 O ATOM 959 CB TYR A 63 -10.391 10.598 -0.421 1.00 0.64 C ATOM 960 CG TYR A 63 -11.825 10.882 -0.034 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.768 9.860 -0.042 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.243 12.159 0.314 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.082 10.101 0.293 1.00 1.05 C ATOM 964 CE2 TYR A 63 -13.560 12.409 0.647 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.442 11.430 0.716 1.00 1.07 C ATOM 966 OH TYR A 63 -15.789 11.622 0.963 1.00 1.39 O ATOM 0 H TYR A 63 -8.678 11.483 -2.601 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.287 9.134 -1.975 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.017 9.795 0.214 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -9.795 11.483 -0.199 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.465 8.860 -0.316 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -11.528 12.969 0.325 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.822 9.316 0.240 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -13.873 13.422 0.854 1.00 1.06 H new ATOM 0 HH TYR A 63 -15.941 12.548 1.245 1.00 1.39 H new ATOM 976 N ASP A 64 -11.627 9.997 -3.694 1.00 0.47 N ATOM 977 CA ASP A 64 -12.771 10.357 -4.491 1.00 0.57 C ATOM 978 C ASP A 64 -13.896 9.406 -4.203 1.00 0.57 C ATOM 979 O ASP A 64 -13.758 8.183 -4.273 1.00 0.63 O ATOM 980 CB ASP A 64 -12.488 10.403 -5.977 1.00 0.71 C ATOM 981 CG ASP A 64 -13.536 11.206 -6.724 1.00 1.53 C ATOM 982 OD1 ASP A 64 -14.699 10.754 -6.787 1.00 2.42 O ATOM 983 OD2 ASP A 64 -13.211 12.301 -7.224 1.00 2.00 O ATOM 0 H ASP A 64 -11.241 9.073 -3.888 1.00 0.47 H new ATOM 0 HA ASP A 64 -13.047 11.373 -4.209 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -11.505 10.842 -6.147 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -12.457 9.388 -6.373 1.00 0.71 H new ATOM 988 N ARG A 65 -15.000 9.987 -3.891 1.00 0.60 N ATOM 989 CA ARG A 65 -16.171 9.252 -3.458 1.00 0.64 C ATOM 990 C ARG A 65 -17.019 8.795 -4.627 1.00 0.74 C ATOM 991 O ARG A 65 -17.524 7.670 -4.648 1.00 0.88 O ATOM 992 CB ARG A 65 -17.000 10.108 -2.507 1.00 0.74 C ATOM 993 CG ARG A 65 -17.088 9.483 -1.143 1.00 0.86 C ATOM 994 CD ARG A 65 -17.626 8.074 -1.266 1.00 1.00 C ATOM 995 NE ARG A 65 -19.084 8.055 -1.319 1.00 1.19 N ATOM 996 CZ ARG A 65 -19.854 7.243 -0.599 1.00 1.80 C ATOM 997 NH1 ARG A 65 -19.309 6.359 0.231 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.171 7.316 -0.710 1.00 2.07 N ATOM 0 H ARG A 65 -15.133 10.998 -3.924 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.827 8.358 -2.937 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.555 11.100 -2.426 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -18.003 10.240 -2.914 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.104 9.468 -0.674 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -17.738 10.077 -0.501 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -17.223 7.608 -2.165 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -17.285 7.479 -0.419 1.00 1.00 H new ATOM 0 HE ARG A 65 -19.545 8.709 -1.952 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -18.295 6.300 0.319 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -19.905 5.740 0.780 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -21.592 7.993 -1.346 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -21.764 6.695 -0.160 1.00 2.07 H new ATOM 1012 N ALA A 66 -17.157 9.674 -5.587 1.00 0.80 N ATOM 1013 CA ALA A 66 -17.925 9.410 -6.794 1.00 0.93 C ATOM 1014 C ALA A 66 -17.142 8.532 -7.761 1.00 0.83 C ATOM 1015 O ALA A 66 -17.707 7.929 -8.672 1.00 0.92 O ATOM 1016 CB ALA A 66 -18.330 10.716 -7.462 1.00 1.15 C ATOM 0 H ALA A 66 -16.739 10.604 -5.560 1.00 0.80 H new ATOM 0 HA ALA A 66 -18.829 8.871 -6.510 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -18.904 10.501 -8.363 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -18.940 11.302 -6.775 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -17.437 11.282 -7.727 1.00 1.15 H new ATOM 1022 N SER A 67 -15.839 8.460 -7.555 1.00 0.72 N ATOM 1023 CA SER A 67 -15.002 7.564 -8.319 1.00 0.72 C ATOM 1024 C SER A 67 -14.942 6.271 -7.548 1.00 0.58 C ATOM 1025 O SER A 67 -14.627 5.211 -8.092 1.00 0.63 O ATOM 1026 CB SER A 67 -13.601 8.155 -8.523 1.00 0.83 C ATOM 1027 OG SER A 67 -12.800 7.340 -9.368 1.00 1.41 O ATOM 0 H SER A 67 -15.340 9.016 -6.861 1.00 0.72 H new ATOM 0 HA SER A 67 -15.412 7.402 -9.316 1.00 0.72 H new ATOM 0 HB2 SER A 67 -13.687 9.152 -8.955 1.00 0.83 H new ATOM 0 HB3 SER A 67 -13.110 8.268 -7.556 1.00 0.83 H new ATOM 0 HG SER A 67 -11.916 7.750 -9.475 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.277 6.394 -6.260 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.410 5.262 -5.374 1.00 0.50 C ATOM 1035 C LYS A 68 -14.039 4.673 -5.085 1.00 0.44 C ATOM 1036 O LYS A 68 -13.899 3.488 -4.813 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.333 4.223 -6.010 1.00 0.70 C ATOM 1038 CG LYS A 68 -16.753 3.106 -5.077 1.00 0.66 C ATOM 1039 CD LYS A 68 -18.136 3.336 -4.486 1.00 1.38 C ATOM 1040 CE LYS A 68 -18.142 4.428 -3.426 1.00 2.27 C ATOM 1041 NZ LYS A 68 -19.491 4.584 -2.815 1.00 3.31 N ATOM 0 H LYS A 68 -15.462 7.292 -5.812 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.849 5.581 -4.429 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.226 4.726 -6.380 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.830 3.789 -6.874 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.745 2.160 -5.619 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -16.026 3.017 -4.270 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.829 3.605 -5.284 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -18.500 2.407 -4.048 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -17.415 4.188 -2.650 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -17.832 5.373 -3.873 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -19.671 5.590 -2.624 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -20.213 4.221 -3.470 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -19.532 4.050 -1.924 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.023 5.515 -5.119 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.675 5.050 -4.914 1.00 0.31 C ATOM 1057 C VAL A 69 -10.945 5.917 -3.916 1.00 0.29 C ATOM 1058 O VAL A 69 -10.887 7.142 -4.039 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.836 5.048 -6.203 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.584 4.199 -6.029 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.646 4.580 -7.401 1.00 0.43 C ATOM 0 H VAL A 69 -13.110 6.517 -5.286 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.781 4.028 -4.549 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.531 6.076 -6.398 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -9.005 4.211 -6.952 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -8.980 4.603 -5.217 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.869 3.174 -5.793 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -11.018 4.593 -8.292 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -12.005 3.566 -7.224 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.497 5.245 -7.547 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.402 5.259 -2.936 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.375 5.832 -2.118 1.00 0.25 C ATOM 1073 C TYR A 70 -8.079 5.347 -2.677 1.00 0.22 C ATOM 1074 O TYR A 70 -7.779 4.153 -2.651 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.426 5.399 -0.665 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.677 5.778 0.092 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -11.858 5.069 -0.060 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.664 6.848 0.975 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -12.993 5.417 0.645 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.793 7.201 1.685 1.00 1.24 C ATOM 1081 CZ TYR A 70 -12.956 6.484 1.516 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.085 6.828 2.224 1.00 0.93 O ATOM 0 H TYR A 70 -10.660 4.306 -2.680 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.501 6.915 -2.131 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.314 4.316 -0.625 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.568 5.828 -0.148 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -11.891 4.231 -0.741 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.754 7.414 1.109 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -13.906 4.855 0.514 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.765 8.036 2.370 1.00 1.24 H new ATOM 0 HH TYR A 70 -13.891 7.601 2.794 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.335 6.248 -3.203 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.034 5.907 -3.687 1.00 0.19 C ATOM 1094 C LEU A 71 -5.051 6.140 -2.593 1.00 0.20 C ATOM 1095 O LEU A 71 -4.657 7.264 -2.309 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.596 6.705 -4.908 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.115 6.490 -5.256 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.881 5.072 -5.750 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -3.625 7.508 -6.264 1.00 0.52 C ATOM 0 H LEU A 71 -7.596 7.228 -3.313 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.077 4.862 -3.996 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.211 6.421 -5.762 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -5.772 7.765 -4.727 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.535 6.634 -4.344 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.826 4.940 -5.991 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.167 4.364 -4.972 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.482 4.893 -6.642 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -2.574 7.324 -6.485 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.209 7.423 -7.180 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -3.739 8.511 -5.853 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.641 5.071 -2.013 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.578 5.101 -1.082 1.00 0.21 C ATOM 1113 C PHE A 72 -2.312 5.010 -1.882 1.00 0.23 C ATOM 1114 O PHE A 72 -2.009 4.008 -2.528 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.691 3.961 -0.101 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.889 4.036 0.799 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -4.832 4.732 1.992 1.00 0.31 C ATOM 1118 CD2 PHE A 72 -6.069 3.405 0.448 1.00 0.28 C ATOM 1119 CE1 PHE A 72 -5.935 4.798 2.825 1.00 0.33 C ATOM 1120 CE2 PHE A 72 -7.174 3.465 1.274 1.00 0.30 C ATOM 1121 CZ PHE A 72 -7.109 4.164 2.466 1.00 0.30 C ATOM 0 H PHE A 72 -5.038 4.145 -2.174 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.596 6.016 -0.490 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.726 3.023 -0.655 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.791 3.935 0.513 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -3.917 5.230 2.277 1.00 0.31 H new ATOM 0 HD2 PHE A 72 -6.127 2.859 -0.482 1.00 0.28 H new ATOM 0 HE1 PHE A 72 -5.878 5.345 3.755 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -8.089 2.966 0.989 1.00 0.30 H new ATOM 0 HZ PHE A 72 -7.972 4.214 3.113 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.612 6.081 -1.838 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.440 6.267 -2.642 1.00 0.26 C ATOM 1133 C GLU A 73 0.765 6.336 -1.769 1.00 0.20 C ATOM 1134 O GLU A 73 0.886 7.193 -0.893 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.519 7.522 -3.503 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.156 8.715 -2.807 1.00 0.59 C ATOM 1137 CD GLU A 73 -0.547 10.034 -3.240 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.227 10.186 -4.436 1.00 1.09 O ATOM 1139 OE2 GLU A 73 -0.356 10.914 -2.378 1.00 1.32 O ATOM 0 H GLU A 73 -1.832 6.874 -1.235 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.370 5.412 -3.314 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.487 7.795 -3.821 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -1.087 7.295 -4.405 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -2.225 8.726 -3.018 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -1.045 8.604 -1.728 1.00 0.59 H new ATOM 1146 N LEU A 74 1.642 5.419 -2.007 1.00 0.21 N ATOM 1147 CA LEU A 74 2.870 5.379 -1.304 1.00 0.21 C ATOM 1148 C LEU A 74 3.849 6.194 -2.050 1.00 0.20 C ATOM 1149 O LEU A 74 4.034 6.044 -3.260 1.00 0.25 O ATOM 1150 CB LEU A 74 3.443 3.983 -1.186 1.00 0.27 C ATOM 1151 CG LEU A 74 2.542 2.937 -0.557 1.00 0.27 C ATOM 1152 CD1 LEU A 74 3.368 2.006 0.275 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.416 3.559 0.267 1.00 0.96 C ATOM 0 H LEU A 74 1.523 4.677 -2.697 1.00 0.21 H new ATOM 0 HA LEU A 74 2.680 5.752 -0.297 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.719 3.641 -2.183 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.362 4.039 -0.602 1.00 0.27 H new ATOM 0 HG LEU A 74 2.061 2.377 -1.359 1.00 0.27 H new ATOM 0 HD11 LEU A 74 2.723 1.253 0.728 1.00 0.85 H new ATOM 0 HD12 LEU A 74 4.110 1.516 -0.355 1.00 0.85 H new ATOM 0 HD13 LEU A 74 3.874 2.570 1.059 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.800 2.769 0.696 1.00 0.96 H new ATOM 0 HD22 LEU A 74 1.842 4.162 1.069 1.00 0.96 H new ATOM 0 HD23 LEU A 74 0.802 4.190 -0.375 1.00 0.96 H new ATOM 1165 N HIS A 75 4.479 7.028 -1.331 1.00 0.18 N ATOM 1166 CA HIS A 75 5.621 7.697 -1.857 1.00 0.19 C ATOM 1167 C HIS A 75 6.722 7.315 -0.934 1.00 0.19 C ATOM 1168 O HIS A 75 6.906 7.891 0.137 1.00 0.19 O ATOM 1169 CB HIS A 75 5.422 9.217 -1.941 1.00 0.23 C ATOM 1170 CG HIS A 75 4.357 9.638 -2.914 1.00 0.39 C ATOM 1171 ND1 HIS A 75 4.630 10.017 -4.212 1.00 1.01 N ATOM 1172 CD2 HIS A 75 3.011 9.733 -2.775 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.504 10.326 -4.826 1.00 0.88 C ATOM 1174 NE2 HIS A 75 2.508 10.162 -3.977 1.00 0.94 N ATOM 0 H HIS A 75 4.234 7.274 -0.372 1.00 0.18 H new ATOM 0 HA HIS A 75 5.831 7.407 -2.887 1.00 0.19 H new ATOM 0 HB2 HIS A 75 5.166 9.596 -0.951 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.366 9.682 -2.226 1.00 0.23 H new ATOM 0 HD2 HIS A 75 2.442 9.512 -1.884 1.00 1.15 H new ATOM 0 HE1 HIS A 75 3.413 10.657 -5.850 1.00 0.88 H new ATOM 0 HE2 HIS A 75 1.522 10.328 -4.181 1.00 0.94 H new ATOM 1183 N ILE A 76 7.429 6.306 -1.346 1.00 0.21 N ATOM 1184 CA ILE A 76 8.399 5.703 -0.500 1.00 0.23 C ATOM 1185 C ILE A 76 9.726 5.819 -1.155 1.00 0.25 C ATOM 1186 O ILE A 76 10.073 5.102 -2.065 1.00 0.28 O ATOM 1187 CB ILE A 76 8.086 4.238 -0.235 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.706 4.097 0.403 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.166 3.609 0.646 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.457 2.725 0.947 1.00 0.52 C ATOM 0 H ILE A 76 7.347 5.885 -2.271 1.00 0.21 H new ATOM 0 HA ILE A 76 8.393 6.217 0.461 1.00 0.23 H new ATOM 0 HB ILE A 76 8.076 3.705 -1.186 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.606 4.826 1.207 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.942 4.334 -0.338 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.925 2.561 0.825 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.131 3.679 0.144 1.00 0.29 H new ATOM 0 HG23 ILE A 76 9.213 4.138 1.598 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.461 2.684 1.388 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.527 1.995 0.140 1.00 0.52 H new ATOM 0 HD13 ILE A 76 7.201 2.495 1.709 1.00 0.52 H new ATOM 1202 N THR A 77 10.448 6.736 -0.688 1.00 0.24 N ATOM 1203 CA THR A 77 11.673 7.048 -1.246 1.00 0.26 C ATOM 1204 C THR A 77 12.751 6.457 -0.415 1.00 0.36 C ATOM 1205 O THR A 77 12.529 5.982 0.698 1.00 0.58 O ATOM 1206 CB THR A 77 11.847 8.558 -1.367 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.809 9.177 -0.073 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.746 9.118 -2.238 1.00 0.37 C ATOM 0 H THR A 77 10.194 7.307 0.118 1.00 0.24 H new ATOM 0 HA THR A 77 11.725 6.631 -2.252 1.00 0.26 H new ATOM 0 HB THR A 77 12.816 8.768 -1.819 1.00 0.32 H new ATOM 0 HG1 THR A 77 12.641 8.982 0.407 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.866 10.198 -2.327 1.00 0.37 H new ATOM 0 HG22 THR A 77 10.798 8.664 -3.228 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.778 8.897 -1.788 1.00 0.37 H new ATOM 1216 N ASP A 78 13.869 6.470 -1.027 1.00 0.30 N ATOM 1217 CA ASP A 78 15.120 6.002 -0.491 1.00 0.45 C ATOM 1218 C ASP A 78 14.966 4.748 0.323 1.00 0.45 C ATOM 1219 O ASP A 78 14.907 4.721 1.553 1.00 0.70 O ATOM 1220 CB ASP A 78 15.869 7.087 0.230 1.00 0.61 C ATOM 1221 CG ASP A 78 15.186 7.662 1.471 1.00 1.44 C ATOM 1222 OD1 ASP A 78 14.187 8.404 1.321 1.00 2.12 O ATOM 1223 OD2 ASP A 78 15.665 7.399 2.601 1.00 1.97 O ATOM 0 H ASP A 78 13.960 6.827 -1.978 1.00 0.30 H new ATOM 0 HA ASP A 78 15.741 5.723 -1.342 1.00 0.45 H new ATOM 0 HB2 ASP A 78 16.843 6.695 0.524 1.00 0.61 H new ATOM 0 HB3 ASP A 78 16.052 7.902 -0.470 1.00 0.61 H new ATOM 1228 N ALA A 79 14.849 3.713 -0.437 1.00 0.37 N ATOM 1229 CA ALA A 79 14.721 2.373 0.080 1.00 0.34 C ATOM 1230 C ALA A 79 16.037 1.917 0.685 1.00 0.38 C ATOM 1231 O ALA A 79 17.073 1.906 0.017 1.00 0.40 O ATOM 1232 CB ALA A 79 14.281 1.421 -1.018 1.00 0.34 C ATOM 0 H ALA A 79 14.838 3.764 -1.456 1.00 0.37 H new ATOM 0 HA ALA A 79 13.960 2.371 0.861 1.00 0.34 H new ATOM 0 HB1 ALA A 79 14.189 0.414 -0.611 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.317 1.742 -1.413 1.00 0.34 H new ATOM 0 HB3 ALA A 79 15.020 1.423 -1.819 1.00 0.34 H new ATOM 1238 N GLN A 80 15.990 1.583 1.959 1.00 0.47 N ATOM 1239 CA GLN A 80 17.130 1.020 2.654 1.00 0.55 C ATOM 1240 C GLN A 80 17.504 -0.323 2.034 1.00 0.43 C ATOM 1241 O GLN A 80 16.620 -1.119 1.734 1.00 0.43 O ATOM 1242 CB GLN A 80 16.772 0.829 4.125 1.00 0.74 C ATOM 1243 CG GLN A 80 17.814 0.068 4.916 1.00 0.78 C ATOM 1244 CD GLN A 80 18.709 0.977 5.742 1.00 1.06 C ATOM 1245 OE1 GLN A 80 18.396 1.299 6.887 1.00 1.37 O ATOM 1246 NE2 GLN A 80 19.830 1.393 5.175 1.00 1.43 N ATOM 0 H GLN A 80 15.160 1.694 2.542 1.00 0.47 H new ATOM 0 HA GLN A 80 17.981 1.696 2.569 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.625 1.807 4.583 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.821 0.300 4.192 1.00 0.74 H new ATOM 0 HG2 GLN A 80 17.315 -0.641 5.577 1.00 0.78 H new ATOM 0 HG3 GLN A 80 18.430 -0.514 4.231 1.00 0.78 H new ATOM 0 HE21 GLN A 80 20.057 1.106 4.223 1.00 1.43 H new ATOM 0 HE22 GLN A 80 20.467 2.001 5.690 1.00 1.43 H new ATOM 1255 N PRO A 81 18.811 -0.596 1.849 1.00 0.42 N ATOM 1256 CA PRO A 81 19.298 -1.847 1.238 1.00 0.44 C ATOM 1257 C PRO A 81 18.841 -3.103 1.974 1.00 0.54 C ATOM 1258 O PRO A 81 18.969 -4.213 1.463 1.00 1.33 O ATOM 1259 CB PRO A 81 20.827 -1.723 1.316 1.00 0.50 C ATOM 1260 CG PRO A 81 21.083 -0.646 2.313 1.00 0.57 C ATOM 1261 CD PRO A 81 19.923 0.295 2.201 1.00 0.49 C ATOM 0 HA PRO A 81 18.908 -1.960 0.227 1.00 0.44 H new ATOM 0 HB2 PRO A 81 21.283 -2.663 1.627 1.00 0.50 H new ATOM 0 HB3 PRO A 81 21.251 -1.469 0.345 1.00 0.50 H new ATOM 0 HG2 PRO A 81 21.159 -1.055 3.320 1.00 0.57 H new ATOM 0 HG3 PRO A 81 22.023 -0.135 2.105 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.738 0.822 3.137 1.00 0.49 H new ATOM 0 HD3 PRO A 81 20.090 1.054 1.436 1.00 0.49 H new ATOM 1269 N ALA A 82 18.314 -2.924 3.173 1.00 0.81 N ATOM 1270 CA ALA A 82 17.837 -4.042 3.967 1.00 0.88 C ATOM 1271 C ALA A 82 16.313 -4.049 4.053 1.00 0.77 C ATOM 1272 O ALA A 82 15.741 -4.649 4.963 1.00 0.91 O ATOM 1273 CB ALA A 82 18.440 -3.982 5.358 1.00 1.12 C ATOM 0 H ALA A 82 18.206 -2.013 3.618 1.00 0.81 H new ATOM 0 HA ALA A 82 18.149 -4.965 3.478 1.00 0.88 H new ATOM 0 HB1 ALA A 82 18.078 -4.824 5.948 1.00 1.12 H new ATOM 0 HB2 ALA A 82 19.527 -4.030 5.286 1.00 1.12 H new ATOM 0 HB3 ALA A 82 18.149 -3.049 5.841 1.00 1.12 H new ATOM 1279 N PHE A 83 15.648 -3.395 3.106 1.00 0.64 N ATOM 1280 CA PHE A 83 14.207 -3.297 3.155 1.00 0.68 C ATOM 1281 C PHE A 83 13.534 -4.456 2.442 1.00 0.76 C ATOM 1282 O PHE A 83 12.636 -5.073 3.016 1.00 1.24 O ATOM 1283 CB PHE A 83 13.741 -1.981 2.540 1.00 0.74 C ATOM 1284 CG PHE A 83 13.460 -0.848 3.508 1.00 0.70 C ATOM 1285 CD1 PHE A 83 13.577 -1.077 4.869 1.00 0.80 C ATOM 1286 CD2 PHE A 83 13.088 0.430 3.087 1.00 0.75 C ATOM 1287 CE1 PHE A 83 13.332 -0.073 5.786 1.00 0.90 C ATOM 1288 CE2 PHE A 83 12.843 1.436 4.003 1.00 0.83 C ATOM 1289 CZ PHE A 83 12.923 1.285 5.223 1.00 0.88 C ATOM 0 H PHE A 83 16.084 -2.933 2.308 1.00 0.64 H new ATOM 0 HA PHE A 83 13.919 -3.333 4.206 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.500 -1.646 1.833 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.834 -2.174 1.967 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.865 -2.057 5.219 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.990 0.636 2.031 1.00 0.75 H new ATOM 0 HE1 PHE A 83 13.425 -0.241 6.849 1.00 0.90 H new ATOM 0 HE2 PHE A 83 12.566 2.410 3.628 1.00 0.83 H new ATOM 0 HZ PHE A 83 12.705 2.107 5.889 1.00 0.88 H new ATOM 1299 N THR A 84 14.014 -4.766 1.225 1.00 0.55 N ATOM 1300 CA THR A 84 13.323 -5.620 0.276 1.00 0.58 C ATOM 1301 C THR A 84 11.833 -5.650 0.570 1.00 0.80 C ATOM 1302 O THR A 84 11.294 -6.561 1.194 1.00 1.22 O ATOM 1303 CB THR A 84 13.939 -7.006 0.249 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.334 -6.897 -0.072 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.242 -7.893 -0.777 1.00 1.17 C ATOM 0 H THR A 84 14.908 -4.418 0.879 1.00 0.55 H new ATOM 0 HA THR A 84 13.442 -5.204 -0.724 1.00 0.58 H new ATOM 0 HB THR A 84 13.818 -7.462 1.232 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.737 -7.790 -0.089 1.00 1.10 H new ATOM 0 HG21 THR A 84 13.703 -8.881 -0.776 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.186 -7.985 -0.521 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.338 -7.448 -1.768 1.00 1.17 H new ATOM 1313 N GLY A 85 11.207 -4.597 0.113 1.00 0.87 N ATOM 1314 CA GLY A 85 9.943 -4.178 0.605 1.00 1.43 C ATOM 1315 C GLY A 85 8.827 -5.106 0.302 1.00 0.96 C ATOM 1316 O GLY A 85 8.255 -5.081 -0.771 1.00 1.29 O ATOM 0 H GLY A 85 11.579 -4.002 -0.627 1.00 0.87 H new ATOM 0 HA2 GLY A 85 10.011 -4.053 1.686 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.710 -3.200 0.185 1.00 1.43 H new ATOM 1320 N GLY A 86 8.511 -5.882 1.282 1.00 0.52 N ATOM 1321 CA GLY A 86 7.322 -6.670 1.254 1.00 0.52 C ATOM 1322 C GLY A 86 6.177 -5.854 1.775 1.00 0.40 C ATOM 1323 O GLY A 86 5.702 -6.033 2.891 1.00 0.43 O ATOM 0 H GLY A 86 9.070 -5.990 2.128 1.00 0.52 H new ATOM 0 HA2 GLY A 86 7.115 -7.001 0.236 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.451 -7.566 1.861 1.00 0.52 H new ATOM 1327 N TYR A 87 5.818 -4.885 0.984 1.00 0.34 N ATOM 1328 CA TYR A 87 4.701 -4.029 1.264 1.00 0.28 C ATOM 1329 C TYR A 87 3.417 -4.767 0.908 1.00 0.30 C ATOM 1330 O TYR A 87 3.286 -5.314 -0.189 1.00 0.39 O ATOM 1331 CB TYR A 87 4.834 -2.745 0.460 1.00 0.35 C ATOM 1332 CG TYR A 87 6.033 -1.912 0.849 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.306 -2.206 0.372 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.889 -0.821 1.688 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.398 -1.434 0.725 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.977 -0.052 2.046 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.227 -0.360 1.563 1.00 0.54 C ATOM 1338 OH TYR A 87 9.314 0.407 1.929 1.00 0.63 O ATOM 0 H TYR A 87 6.300 -4.664 0.113 1.00 0.34 H new ATOM 0 HA TYR A 87 4.676 -3.767 2.322 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.903 -2.994 -0.599 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.930 -2.149 0.589 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.444 -3.052 -0.285 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.910 -0.568 2.068 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.379 -1.675 0.344 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.847 0.793 2.706 1.00 0.54 H new ATOM 0 HH TYR A 87 9.020 1.128 2.524 1.00 0.63 H new ATOM 1348 N ARG A 88 2.491 -4.811 1.842 1.00 0.33 N ATOM 1349 CA ARG A 88 1.255 -5.546 1.657 1.00 0.36 C ATOM 1350 C ARG A 88 0.059 -4.630 1.825 1.00 0.36 C ATOM 1351 O ARG A 88 0.153 -3.571 2.439 1.00 0.60 O ATOM 1352 CB ARG A 88 1.173 -6.712 2.643 1.00 0.42 C ATOM 1353 CG ARG A 88 2.068 -7.885 2.278 1.00 1.09 C ATOM 1354 CD ARG A 88 2.263 -8.840 3.446 1.00 1.23 C ATOM 1355 NE ARG A 88 1.002 -9.193 4.103 1.00 1.73 N ATOM 1356 CZ ARG A 88 0.580 -10.441 4.291 1.00 2.17 C ATOM 1357 NH1 ARG A 88 1.240 -11.466 3.761 1.00 2.11 N ATOM 1358 NH2 ARG A 88 -0.526 -10.657 4.983 1.00 3.15 N ATOM 0 H ARG A 88 2.571 -4.343 2.745 1.00 0.33 H new ATOM 0 HA ARG A 88 1.244 -5.946 0.643 1.00 0.36 H new ATOM 0 HB2 ARG A 88 1.444 -6.355 3.637 1.00 0.42 H new ATOM 0 HB3 ARG A 88 0.141 -7.058 2.698 1.00 0.42 H new ATOM 0 HG2 ARG A 88 1.632 -8.425 1.437 1.00 1.09 H new ATOM 0 HG3 ARG A 88 3.038 -7.512 1.949 1.00 1.09 H new ATOM 0 HD2 ARG A 88 2.750 -9.748 3.090 1.00 1.23 H new ATOM 0 HD3 ARG A 88 2.933 -8.384 4.175 1.00 1.23 H new ATOM 0 HE ARG A 88 0.409 -8.433 4.438 1.00 1.73 H new ATOM 0 HH11 ARG A 88 2.078 -11.300 3.204 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.908 -12.419 3.911 1.00 2.11 H new ATOM 0 HH21 ARG A 88 -1.049 -9.870 5.368 1.00 3.15 H new ATOM 0 HH22 ARG A 88 -0.856 -11.610 5.132 1.00 3.15 H new ATOM 1372 N CYS A 89 -1.047 -5.020 1.240 1.00 0.26 N ATOM 1373 CA CYS A 89 -2.284 -4.277 1.371 1.00 0.27 C ATOM 1374 C CYS A 89 -3.393 -5.224 1.752 1.00 0.25 C ATOM 1375 O CYS A 89 -3.726 -6.119 0.986 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.651 -3.614 0.053 1.00 0.39 C ATOM 1377 SG CYS A 89 -1.450 -2.412 -0.527 1.00 1.08 S ATOM 0 H CYS A 89 -1.119 -5.857 0.661 1.00 0.26 H new ATOM 0 HA CYS A 89 -2.150 -3.512 2.136 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -2.772 -4.386 -0.707 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -3.617 -3.121 0.164 1.00 0.39 H new ATOM 0 HG CYS A 89 -1.071 -1.663 0.466 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.952 -5.047 2.919 1.00 0.26 N ATOM 1384 CA GLU A 90 -5.054 -5.880 3.341 1.00 0.28 C ATOM 1385 C GLU A 90 -6.241 -5.010 3.734 1.00 0.26 C ATOM 1386 O GLU A 90 -6.233 -4.363 4.783 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.614 -6.780 4.497 1.00 0.35 C ATOM 1388 CG GLU A 90 -3.568 -7.808 4.087 1.00 1.19 C ATOM 1389 CD GLU A 90 -2.928 -8.511 5.263 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.637 -9.255 5.973 1.00 1.43 O ATOM 1391 OE2 GLU A 90 -1.713 -8.327 5.483 1.00 1.81 O ATOM 0 H GLU A 90 -3.667 -4.338 3.594 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.364 -6.520 2.515 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -4.212 -6.161 5.299 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -5.485 -7.297 4.899 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -4.033 -8.550 3.438 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -2.792 -7.314 3.502 1.00 1.19 H new ATOM 1398 N VAL A 91 -7.249 -4.970 2.871 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.413 -4.131 3.106 1.00 0.22 C ATOM 1400 C VAL A 91 -9.596 -4.960 3.575 1.00 0.22 C ATOM 1401 O VAL A 91 -9.802 -6.091 3.124 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.813 -3.319 1.848 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.925 -4.219 0.627 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.120 -2.553 2.074 1.00 0.51 C ATOM 0 H VAL A 91 -7.282 -5.508 2.005 1.00 0.24 H new ATOM 0 HA VAL A 91 -8.134 -3.425 3.889 1.00 0.22 H new ATOM 0 HB VAL A 91 -8.023 -2.592 1.663 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.207 -3.622 -0.240 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.965 -4.700 0.440 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.684 -4.981 0.805 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.374 -1.993 1.174 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.920 -3.258 2.301 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.997 -1.862 2.908 1.00 0.51 H new ATOM 1414 N SER A 92 -10.369 -4.370 4.465 1.00 0.22 N ATOM 1415 CA SER A 92 -11.540 -5.012 5.012 1.00 0.25 C ATOM 1416 C SER A 92 -12.681 -4.007 5.017 1.00 0.26 C ATOM 1417 O SER A 92 -12.667 -3.020 5.757 1.00 0.30 O ATOM 1418 CB SER A 92 -11.257 -5.536 6.428 1.00 0.32 C ATOM 1419 OG SER A 92 -12.361 -6.261 6.944 1.00 1.18 O ATOM 0 H SER A 92 -10.200 -3.432 4.827 1.00 0.22 H new ATOM 0 HA SER A 92 -11.815 -5.870 4.399 1.00 0.25 H new ATOM 0 HB2 SER A 92 -10.376 -6.177 6.410 1.00 0.32 H new ATOM 0 HB3 SER A 92 -11.029 -4.699 7.088 1.00 0.32 H new ATOM 0 HG SER A 92 -12.149 -6.582 7.845 1.00 1.18 H new ATOM 1425 N THR A 93 -13.635 -4.239 4.143 1.00 0.28 N ATOM 1426 CA THR A 93 -14.775 -3.354 3.989 1.00 0.35 C ATOM 1427 C THR A 93 -16.036 -4.164 3.988 1.00 0.39 C ATOM 1428 O THR A 93 -16.021 -5.221 3.402 1.00 0.59 O ATOM 1429 CB THR A 93 -14.696 -2.621 2.673 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.328 -2.404 2.352 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.415 -1.294 2.721 1.00 0.57 C ATOM 0 H THR A 93 -13.645 -5.045 3.518 1.00 0.28 H new ATOM 0 HA THR A 93 -14.771 -2.640 4.813 1.00 0.35 H new ATOM 0 HB THR A 93 -15.182 -3.232 1.913 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.830 -2.191 3.169 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.333 -0.800 1.753 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.467 -1.458 2.956 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.965 -0.664 3.489 1.00 0.57 H new ATOM 1439 N LYS A 94 -17.119 -3.589 4.527 1.00 0.43 N ATOM 1440 CA LYS A 94 -18.384 -4.291 4.874 1.00 0.43 C ATOM 1441 C LYS A 94 -18.213 -5.801 5.068 1.00 0.42 C ATOM 1442 O LYS A 94 -18.258 -6.318 6.181 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.518 -4.037 3.855 1.00 0.45 C ATOM 1444 CG LYS A 94 -19.104 -3.614 2.449 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.531 -4.735 1.593 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.495 -5.897 1.409 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.909 -5.472 1.214 1.00 0.65 N ATOM 0 H LYS A 94 -17.151 -2.593 4.744 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.669 -3.854 5.831 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -20.111 -4.948 3.774 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -20.172 -3.266 4.262 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.971 -3.193 1.940 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -18.363 -2.819 2.526 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -18.261 -4.336 0.615 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.613 -5.102 2.052 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -19.180 -6.487 0.549 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.437 -6.548 2.281 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.500 -6.307 1.028 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -21.249 -4.992 2.072 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.967 -4.820 0.406 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.987 -6.467 3.951 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.942 -7.904 3.848 1.00 0.40 C ATOM 1463 C ASP A 95 -17.027 -8.331 2.688 1.00 0.37 C ATOM 1464 O ASP A 95 -16.931 -9.511 2.382 1.00 0.47 O ATOM 1465 CB ASP A 95 -19.348 -8.413 3.592 1.00 0.46 C ATOM 1466 CG ASP A 95 -19.669 -9.717 4.297 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -20.036 -9.672 5.487 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.598 -10.781 3.648 1.00 1.05 O ATOM 0 H ASP A 95 -17.824 -5.999 3.059 1.00 0.36 H new ATOM 0 HA ASP A 95 -17.547 -8.321 4.774 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -20.062 -7.654 3.911 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -19.485 -8.548 2.519 1.00 0.46 H new ATOM 1473 N LYS A 96 -16.377 -7.362 2.027 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.456 -7.654 0.953 1.00 0.29 C ATOM 1475 C LYS A 96 -14.077 -7.722 1.531 1.00 0.27 C ATOM 1476 O LYS A 96 -13.715 -6.978 2.447 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.436 -6.627 -0.207 1.00 0.30 C ATOM 1478 CG LYS A 96 -15.685 -7.272 -1.554 1.00 0.56 C ATOM 1479 CD LYS A 96 -14.436 -7.990 -2.046 1.00 0.82 C ATOM 1480 CE LYS A 96 -14.751 -9.046 -3.088 1.00 1.00 C ATOM 1481 NZ LYS A 96 -15.073 -8.451 -4.408 1.00 1.29 N ATOM 0 H LYS A 96 -16.483 -6.368 2.230 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.796 -8.593 0.516 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -16.194 -5.865 -0.027 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.471 -6.120 -0.223 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.511 -7.979 -1.477 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -15.982 -6.513 -2.277 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -13.744 -7.262 -2.468 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -13.931 -8.457 -1.200 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -13.899 -9.717 -3.192 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -15.593 -9.650 -2.748 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -15.282 -9.209 -5.089 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -15.902 -7.830 -4.316 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -14.261 -7.896 -4.746 1.00 1.29 H new ATOM 1495 N PHE A 97 -13.342 -8.625 1.000 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.980 -8.842 1.420 1.00 0.29 C ATOM 1497 C PHE A 97 -11.040 -8.972 0.237 1.00 0.32 C ATOM 1498 O PHE A 97 -11.307 -9.714 -0.708 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.924 -10.066 2.296 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.657 -10.181 3.088 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -10.412 -9.334 4.154 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.714 -11.142 2.766 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -9.246 -9.441 4.884 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.545 -11.255 3.492 1.00 0.77 C ATOM 1505 CZ PHE A 97 -8.311 -10.383 4.556 1.00 0.74 C ATOM 0 H PHE A 97 -13.656 -9.247 0.255 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.646 -7.974 1.988 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.771 -10.050 2.982 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -12.035 -10.954 1.673 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -11.141 -8.582 4.417 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.895 -11.811 1.938 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -9.071 -8.778 5.718 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.818 -12.012 3.238 1.00 0.77 H new ATOM 0 HZ PHE A 97 -7.392 -10.452 5.120 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.934 -8.258 0.321 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.912 -8.263 -0.732 1.00 0.43 C ATOM 1517 C ASP A 98 -7.535 -7.982 -0.138 1.00 0.36 C ATOM 1518 O ASP A 98 -7.424 -7.327 0.904 1.00 0.36 O ATOM 1519 CB ASP A 98 -9.220 -7.219 -1.815 1.00 0.56 C ATOM 1520 CG ASP A 98 -10.219 -7.691 -2.860 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.805 -8.378 -3.818 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -11.412 -7.341 -2.753 1.00 1.60 O ATOM 0 H ASP A 98 -9.710 -7.657 1.114 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.918 -9.252 -1.190 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.606 -6.318 -1.338 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -8.291 -6.942 -2.314 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.485 -8.477 -0.795 1.00 0.35 N ATOM 1528 CA CYS A 99 -5.118 -8.296 -0.309 1.00 0.30 C ATOM 1529 C CYS A 99 -4.114 -8.218 -1.459 1.00 0.32 C ATOM 1530 O CYS A 99 -4.302 -8.831 -2.511 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.708 -9.443 0.614 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.879 -9.808 1.941 1.00 1.19 S ATOM 0 H CYS A 99 -6.556 -9.006 -1.664 1.00 0.35 H new ATOM 0 HA CYS A 99 -5.107 -7.355 0.241 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.570 -10.342 0.013 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.741 -9.205 1.058 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.729 -8.831 2.050 1.00 1.19 H new ATOM 1538 N SER A 100 -3.046 -7.460 -1.245 1.00 0.27 N ATOM 1539 CA SER A 100 -1.945 -7.386 -2.204 1.00 0.30 C ATOM 1540 C SER A 100 -0.599 -7.519 -1.530 1.00 0.31 C ATOM 1541 O SER A 100 -0.418 -7.161 -0.366 1.00 0.42 O ATOM 1542 CB SER A 100 -1.956 -6.107 -3.037 1.00 0.38 C ATOM 1543 OG SER A 100 -0.806 -6.015 -3.862 1.00 0.84 O ATOM 0 H SER A 100 -2.916 -6.885 -0.413 1.00 0.27 H new ATOM 0 HA SER A 100 -2.102 -8.230 -2.875 1.00 0.30 H new ATOM 0 HB2 SER A 100 -2.853 -6.083 -3.656 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.001 -5.241 -2.376 1.00 0.38 H new ATOM 0 HG SER A 100 -0.847 -5.190 -4.390 1.00 0.84 H new ATOM 1549 N ASN A 101 0.324 -8.053 -2.294 1.00 0.34 N ATOM 1550 CA ASN A 101 1.698 -8.257 -1.858 1.00 0.37 C ATOM 1551 C ASN A 101 2.661 -7.843 -2.965 1.00 0.42 C ATOM 1552 O ASN A 101 2.598 -8.358 -4.081 1.00 0.65 O ATOM 1553 CB ASN A 101 1.936 -9.717 -1.436 1.00 0.60 C ATOM 1554 CG ASN A 101 1.297 -10.766 -2.347 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.885 -11.824 -1.871 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.214 -10.508 -3.647 1.00 1.05 N ATOM 0 H ASN A 101 0.147 -8.364 -3.249 1.00 0.34 H new ATOM 0 HA ASN A 101 1.881 -7.632 -0.984 1.00 0.37 H new ATOM 0 HB2 ASN A 101 3.010 -9.898 -1.397 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.553 -9.854 -0.425 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.801 -11.195 -4.278 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.563 -9.623 -4.015 1.00 1.05 H new ATOM 1563 N PHE A 102 3.530 -6.890 -2.680 1.00 0.31 N ATOM 1564 CA PHE A 102 4.412 -6.359 -3.692 1.00 0.38 C ATOM 1565 C PHE A 102 5.766 -6.045 -3.085 1.00 0.30 C ATOM 1566 O PHE A 102 5.854 -5.396 -2.044 1.00 0.37 O ATOM 1567 CB PHE A 102 3.779 -5.140 -4.363 1.00 0.57 C ATOM 1568 CG PHE A 102 3.176 -4.138 -3.424 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.906 -4.340 -2.902 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.867 -2.995 -3.070 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.344 -3.421 -2.047 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.304 -2.071 -2.216 1.00 0.84 C ATOM 1573 CZ PHE A 102 2.044 -2.286 -1.703 1.00 0.86 C ATOM 0 H PHE A 102 3.640 -6.471 -1.756 1.00 0.31 H new ATOM 0 HA PHE A 102 4.567 -7.107 -4.470 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.539 -4.640 -4.964 1.00 0.57 H new ATOM 0 HB3 PHE A 102 3.005 -5.484 -5.049 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.353 -5.228 -3.170 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.857 -2.824 -3.466 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.355 -3.589 -1.646 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.851 -1.179 -1.949 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.605 -1.564 -1.031 1.00 0.86 H new ATOM 1583 N ASN A 103 6.814 -6.518 -3.738 1.00 0.24 N ATOM 1584 CA ASN A 103 8.144 -6.481 -3.178 1.00 0.25 C ATOM 1585 C ASN A 103 9.048 -5.462 -3.843 1.00 0.28 C ATOM 1586 O ASN A 103 9.245 -5.451 -5.056 1.00 0.49 O ATOM 1587 CB ASN A 103 8.797 -7.848 -3.252 1.00 0.33 C ATOM 1588 CG ASN A 103 8.326 -8.688 -4.411 1.00 1.08 C ATOM 1589 OD1 ASN A 103 7.340 -9.418 -4.314 1.00 2.11 O ATOM 1590 ND2 ASN A 103 9.035 -8.607 -5.509 1.00 1.25 N ATOM 0 H ASN A 103 6.762 -6.936 -4.667 1.00 0.24 H new ATOM 0 HA ASN A 103 8.019 -6.179 -2.138 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.877 -7.720 -3.324 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.600 -8.384 -2.324 1.00 0.33 H new ATOM 0 HD21 ASN A 103 8.777 -9.162 -6.325 1.00 1.25 H new ATOM 0 HD22 ASN A 103 9.846 -7.989 -5.548 1.00 1.25 H new ATOM 1597 N LEU A 104 9.638 -4.652 -3.004 1.00 0.23 N ATOM 1598 CA LEU A 104 10.596 -3.647 -3.428 1.00 0.24 C ATOM 1599 C LEU A 104 11.997 -4.205 -3.290 1.00 0.25 C ATOM 1600 O LEU A 104 12.495 -4.404 -2.186 1.00 0.37 O ATOM 1601 CB LEU A 104 10.463 -2.343 -2.623 1.00 0.27 C ATOM 1602 CG LEU A 104 11.763 -1.612 -2.367 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.728 -0.259 -3.036 1.00 0.28 C ATOM 1604 CD2 LEU A 104 12.067 -1.485 -0.877 1.00 0.30 C ATOM 0 H LEU A 104 9.471 -4.666 -1.998 1.00 0.23 H new ATOM 0 HA LEU A 104 10.390 -3.402 -4.470 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.786 -1.674 -3.154 1.00 0.27 H new ATOM 0 HB3 LEU A 104 9.998 -2.572 -1.664 1.00 0.27 H new ATOM 0 HG LEU A 104 12.573 -2.200 -2.799 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.666 0.264 -2.849 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.592 -0.387 -4.110 1.00 0.28 H new ATOM 0 HD13 LEU A 104 10.901 0.325 -2.633 1.00 0.28 H new ATOM 0 HD21 LEU A 104 13.009 -0.954 -0.742 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.265 -0.932 -0.388 1.00 0.30 H new ATOM 0 HD23 LEU A 104 12.144 -2.479 -0.435 1.00 0.30 H new ATOM 1616 N THR A 105 12.629 -4.473 -4.397 1.00 0.23 N ATOM 1617 CA THR A 105 13.964 -5.009 -4.367 1.00 0.24 C ATOM 1618 C THR A 105 14.962 -3.873 -4.384 1.00 0.21 C ATOM 1619 O THR A 105 15.272 -3.312 -5.434 1.00 0.22 O ATOM 1620 CB THR A 105 14.226 -5.950 -5.546 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.100 -6.818 -5.721 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.479 -6.778 -5.300 1.00 0.32 C ATOM 0 H THR A 105 12.244 -4.330 -5.331 1.00 0.23 H new ATOM 0 HA THR A 105 14.074 -5.590 -3.451 1.00 0.24 H new ATOM 0 HB THR A 105 14.375 -5.354 -6.447 1.00 0.28 H new ATOM 0 HG1 THR A 105 13.265 -7.420 -6.476 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.649 -7.441 -6.148 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.336 -6.115 -5.180 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.351 -7.372 -4.395 1.00 0.32 H new ATOM 1630 N VAL A 106 15.423 -3.515 -3.203 1.00 0.23 N ATOM 1631 CA VAL A 106 16.402 -2.488 -3.044 1.00 0.23 C ATOM 1632 C VAL A 106 17.756 -3.053 -3.401 1.00 0.25 C ATOM 1633 O VAL A 106 18.294 -3.950 -2.755 1.00 0.28 O ATOM 1634 CB VAL A 106 16.420 -1.895 -1.616 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.522 -2.993 -0.582 1.00 0.31 C ATOM 1636 CG2 VAL A 106 17.533 -0.862 -1.487 1.00 0.33 C ATOM 0 H VAL A 106 15.119 -3.939 -2.327 1.00 0.23 H new ATOM 0 HA VAL A 106 16.144 -1.665 -3.711 1.00 0.23 H new ATOM 0 HB VAL A 106 15.479 -1.378 -1.431 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.533 -2.554 0.415 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.666 -3.661 -0.675 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.441 -3.557 -0.740 1.00 0.31 H new ATOM 0 HG21 VAL A 106 17.534 -0.453 -0.477 1.00 0.33 H new ATOM 0 HG22 VAL A 106 18.494 -1.336 -1.688 1.00 0.33 H new ATOM 0 HG23 VAL A 106 17.368 -0.058 -2.204 1.00 0.33 H new ATOM 1646 N HIS A 107 18.261 -2.527 -4.462 1.00 0.26 N ATOM 1647 CA HIS A 107 19.514 -2.960 -5.014 1.00 0.31 C ATOM 1648 C HIS A 107 20.645 -2.258 -4.314 1.00 0.34 C ATOM 1649 O HIS A 107 20.971 -1.106 -4.594 1.00 0.36 O ATOM 1650 CB HIS A 107 19.572 -2.717 -6.524 1.00 0.36 C ATOM 1651 CG HIS A 107 18.657 -3.617 -7.287 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.768 -4.988 -7.249 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.597 -3.348 -8.081 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.815 -5.523 -7.979 1.00 1.10 C ATOM 1655 NE2 HIS A 107 17.092 -4.552 -8.497 1.00 0.53 N ATOM 0 H HIS A 107 17.815 -1.773 -4.984 1.00 0.26 H new ATOM 0 HA HIS A 107 19.610 -4.034 -4.856 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.311 -1.679 -6.731 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.594 -2.864 -6.873 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.479 -5.508 -6.735 1.00 1.19 H new ATOM 0 HD2 HIS A 107 17.219 -2.370 -8.339 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.652 -6.580 -8.129 1.00 1.10 H new ATOM 1664 N GLU A 108 21.193 -2.969 -3.372 1.00 0.45 N ATOM 1665 CA GLU A 108 22.390 -2.548 -2.673 1.00 0.56 C ATOM 1666 C GLU A 108 23.590 -2.690 -3.598 1.00 0.71 C ATOM 1667 O GLU A 108 23.826 -3.764 -4.149 1.00 1.33 O ATOM 1668 CB GLU A 108 22.560 -3.384 -1.396 1.00 0.71 C ATOM 1669 CG GLU A 108 23.716 -2.966 -0.501 1.00 0.87 C ATOM 1670 CD GLU A 108 25.036 -3.588 -0.913 1.00 1.20 C ATOM 1671 OE1 GLU A 108 25.234 -4.790 -0.669 1.00 1.66 O ATOM 1672 OE2 GLU A 108 25.885 -2.867 -1.480 1.00 1.67 O ATOM 0 H GLU A 108 20.824 -3.867 -3.058 1.00 0.45 H new ATOM 0 HA GLU A 108 22.308 -1.501 -2.381 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.637 -3.330 -0.819 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.699 -4.427 -1.679 1.00 0.71 H new ATOM 0 HG2 GLU A 108 23.810 -1.880 -0.521 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.493 -3.248 0.528 1.00 0.87 H new