USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -0.453 K(o=0.81,f=-3.9!) USER MOD Set 1.2: A 86 TYR OH : rot -20:sc= 1.26 USER MOD Set 2.1: A 9 HIS : no HE2:sc= -1.28! C(o=-1.3!,f=-4.4!) USER MOD Set 2.2: A 22 SER OG : rot 170:sc= 0 USER MOD Set 3.1: A 6 ASN : amide:sc= 0.674 K(o=0.94,f=-4.2!) USER MOD Set 3.2: A 89 GLN : amide:sc= 0.265 K(o=0.94,f=-4.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.589 (180deg=-0.783) USER MOD Single : A 14 HIS : no HD1:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.602 K(o=-0.6,f=-2.3) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0148) USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 1.18 (180deg=-1.14) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 0.888 K(o=0.89,f=-6.3!) USER MOD Single : A 25 ASN : amide:sc= -0.0514 X(o=-0.051,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -83:sc= -0.595 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.034) USER MOD Single : A 33 GLN : amide:sc= 0.636 K(o=0.64,f=-0.15) USER MOD Single : A 35 MET CE :methyl 163:sc= -0.0487 (180deg=-0.74) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 1.07 (180deg=0.933) USER MOD Single : A 43 SER OG : rot 70:sc= 0.927 USER MOD Single : A 46 SER OG : rot 76:sc= 0.48 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.076 X(o=-0.076,f=0.011) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0802 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= 1.31 (180deg=1.01) USER MOD Single : A 63 CYS SG : rot 60:sc= -0.998 USER MOD Single : A 69 TYR OH : rot 25:sc= 1.2 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -0.127 (180deg=-0.647) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0976) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.48) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0.985) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 91:sc= 1.28 USER MOD Single : A 105 SER OG : rot -1:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.119 -11.970 -17.831 1.00 1.74 N ATOM 2 CA MET A 1 -9.593 -12.564 -16.550 1.00 1.02 C ATOM 3 C MET A 1 -9.503 -11.520 -15.434 1.00 0.87 C ATOM 4 O MET A 1 -10.494 -11.248 -14.753 1.00 1.29 O ATOM 5 CB MET A 1 -8.782 -13.814 -16.169 1.00 1.60 C ATOM 6 CG MET A 1 -9.250 -15.054 -16.939 1.00 2.33 C ATOM 7 SD MET A 1 -10.801 -15.721 -16.311 1.00 3.31 S ATOM 8 CE MET A 1 -11.053 -17.110 -17.433 1.00 4.33 C ATOM 0 H1 MET A 1 -9.181 -12.681 -18.587 1.00 1.74 H new ATOM 0 H2 MET A 1 -9.713 -11.152 -18.075 1.00 1.74 H new ATOM 0 H3 MET A 1 -8.131 -11.662 -17.726 1.00 1.74 H new ATOM 0 HA MET A 1 -10.630 -12.871 -16.684 1.00 1.02 H new ATOM 0 HB2 MET A 1 -7.726 -13.638 -16.372 1.00 1.60 H new ATOM 0 HB3 MET A 1 -8.875 -13.995 -15.098 1.00 1.60 H new ATOM 0 HG2 MET A 1 -9.369 -14.799 -17.992 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.480 -15.823 -16.883 1.00 2.33 H new ATOM 0 HE1 MET A 1 -11.977 -17.626 -17.172 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.119 -16.743 -18.457 1.00 4.33 H new ATOM 0 HE3 MET A 1 -10.215 -17.802 -17.349 1.00 4.33 H new ATOM 20 N GLU A 2 -8.310 -10.945 -15.250 1.00 0.51 N ATOM 21 CA GLU A 2 -8.064 -9.927 -14.219 1.00 0.37 C ATOM 22 C GLU A 2 -7.722 -8.589 -14.880 1.00 0.34 C ATOM 23 O GLU A 2 -7.029 -8.555 -15.898 1.00 0.48 O ATOM 24 CB GLU A 2 -6.901 -10.357 -13.303 1.00 0.53 C ATOM 25 CG GLU A 2 -6.855 -11.879 -13.084 1.00 0.96 C ATOM 26 CD GLU A 2 -5.818 -12.525 -13.998 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.840 -12.253 -15.215 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.987 -13.310 -13.503 1.00 2.09 O ATOM 0 H GLU A 2 -7.488 -11.171 -15.810 1.00 0.51 H new ATOM 0 HA GLU A 2 -8.967 -9.818 -13.618 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.958 -10.027 -13.739 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.998 -9.857 -12.339 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.614 -12.094 -12.043 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -7.837 -12.309 -13.279 1.00 0.96 H new ATOM 35 N GLY A 3 -8.203 -7.493 -14.298 1.00 0.25 N ATOM 36 CA GLY A 3 -7.941 -6.154 -14.829 1.00 0.28 C ATOM 37 C GLY A 3 -8.864 -5.117 -14.189 1.00 0.22 C ATOM 38 O GLY A 3 -9.766 -5.455 -13.415 1.00 0.22 O ATOM 0 H GLY A 3 -8.778 -7.504 -13.456 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.901 -5.883 -14.644 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.083 -6.154 -15.910 1.00 0.28 H new ATOM 42 N PHE A 4 -8.636 -3.847 -14.531 1.00 0.24 N ATOM 43 CA PHE A 4 -9.445 -2.737 -14.014 1.00 0.21 C ATOM 44 C PHE A 4 -10.733 -2.601 -14.828 1.00 0.22 C ATOM 45 O PHE A 4 -10.759 -2.890 -16.025 1.00 0.27 O ATOM 46 CB PHE A 4 -8.655 -1.428 -14.079 1.00 0.23 C ATOM 47 CG PHE A 4 -7.665 -1.273 -12.948 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.109 -1.022 -11.659 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.304 -1.391 -13.196 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.199 -0.890 -10.625 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.396 -1.256 -12.159 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.853 -0.969 -10.872 1.00 0.41 C ATOM 0 H PHE A 4 -7.893 -3.559 -15.168 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.698 -2.948 -12.975 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.122 -1.380 -15.029 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.351 -0.590 -14.061 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.167 -0.929 -11.462 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -5.953 -1.588 -14.198 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.551 -0.724 -9.618 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.339 -1.372 -12.346 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.146 -0.809 -10.071 1.00 0.41 H new ATOM 62 N LEU A 5 -11.795 -2.166 -14.167 1.00 0.19 N ATOM 63 CA LEU A 5 -13.102 -1.986 -14.802 1.00 0.21 C ATOM 64 C LEU A 5 -13.884 -0.898 -14.074 1.00 0.20 C ATOM 65 O LEU A 5 -13.816 -0.787 -12.850 1.00 0.21 O ATOM 66 CB LEU A 5 -13.905 -3.300 -14.750 1.00 0.23 C ATOM 67 CG LEU A 5 -13.859 -4.071 -16.072 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.605 -5.396 -15.928 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.460 -3.250 -17.213 1.00 0.31 C ATOM 0 H LEU A 5 -11.780 -1.927 -13.176 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.946 -1.697 -15.842 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.512 -3.930 -13.952 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.942 -3.078 -14.499 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.815 -4.269 -16.314 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.568 -5.939 -16.872 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.136 -5.994 -15.147 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.644 -5.202 -15.662 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.413 -3.824 -18.138 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.500 -3.015 -16.984 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.897 -2.324 -17.331 1.00 0.31 H new ATOM 81 N ASN A 6 -14.665 -0.131 -14.823 1.00 0.22 N ATOM 82 CA ASN A 6 -15.516 0.915 -14.241 1.00 0.23 C ATOM 83 C ASN A 6 -16.858 0.262 -13.920 1.00 0.22 C ATOM 84 O ASN A 6 -17.467 -0.337 -14.803 1.00 0.26 O ATOM 85 CB ASN A 6 -15.679 2.090 -15.234 1.00 0.28 C ATOM 86 CG ASN A 6 -15.288 3.441 -14.623 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.738 3.525 -13.523 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.582 4.510 -15.348 1.00 1.24 N ATOM 0 H ASN A 6 -14.731 -0.209 -15.838 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.073 1.331 -13.336 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.065 1.903 -16.115 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.715 2.134 -15.571 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.353 5.441 -15.000 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.037 4.402 -16.254 1.00 1.24 H new ATOM 95 N ARG A 7 -17.290 0.326 -12.660 1.00 0.23 N ATOM 96 CA ARG A 7 -18.542 -0.310 -12.230 1.00 0.24 C ATOM 97 C ARG A 7 -19.549 0.724 -11.722 1.00 0.25 C ATOM 98 O ARG A 7 -19.206 1.618 -10.945 1.00 0.32 O ATOM 99 CB ARG A 7 -18.242 -1.331 -11.124 1.00 0.28 C ATOM 100 CG ARG A 7 -19.439 -2.255 -10.873 1.00 0.34 C ATOM 101 CD ARG A 7 -19.048 -3.478 -10.030 1.00 0.54 C ATOM 102 NE ARG A 7 -18.856 -3.107 -8.624 1.00 0.95 N ATOM 103 CZ ARG A 7 -19.846 -3.173 -7.735 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.256 -4.352 -7.290 1.00 1.46 N ATOM 105 NH2 ARG A 7 -20.399 -2.059 -7.284 1.00 1.71 N ATOM 0 H ARG A 7 -16.792 0.813 -11.915 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.984 -0.812 -13.091 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.373 -1.927 -11.403 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.986 -0.807 -10.203 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.227 -1.699 -10.364 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.848 -2.587 -11.827 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.824 -4.240 -10.106 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.131 -3.917 -10.423 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.937 -2.789 -8.318 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.814 -5.207 -7.628 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -21.014 -4.405 -6.609 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.067 -1.154 -7.617 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.157 -2.105 -6.603 1.00 1.71 H new ATOM 119 N LYS A 8 -20.795 0.571 -12.161 1.00 0.27 N ATOM 120 CA LYS A 8 -21.894 1.451 -11.768 1.00 0.29 C ATOM 121 C LYS A 8 -23.173 0.627 -11.661 1.00 0.29 C ATOM 122 O LYS A 8 -23.510 -0.126 -12.573 1.00 0.38 O ATOM 123 CB LYS A 8 -22.060 2.571 -12.800 1.00 0.36 C ATOM 124 CG LYS A 8 -23.224 3.516 -12.463 1.00 0.37 C ATOM 125 CD LYS A 8 -24.356 3.401 -13.490 1.00 0.50 C ATOM 126 CE LYS A 8 -25.679 3.962 -12.952 1.00 0.62 C ATOM 127 NZ LYS A 8 -25.488 5.232 -12.204 1.00 1.02 N ATOM 0 H LYS A 8 -21.073 -0.171 -12.803 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.678 1.907 -10.802 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.136 3.146 -12.859 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.226 2.132 -13.784 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.607 3.283 -11.470 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.862 4.544 -12.432 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.078 3.936 -14.398 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.491 2.355 -13.765 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.364 4.131 -13.783 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.146 3.224 -12.299 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.407 5.703 -12.080 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.075 5.027 -11.272 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -24.848 5.855 -12.736 1.00 1.02 H new ATOM 141 N HIS A 9 -23.876 0.767 -10.544 1.00 0.43 N ATOM 142 CA HIS A 9 -25.124 0.032 -10.302 1.00 0.52 C ATOM 143 C HIS A 9 -26.342 0.842 -10.759 1.00 0.58 C ATOM 144 O HIS A 9 -26.651 1.892 -10.193 1.00 0.73 O ATOM 145 CB HIS A 9 -25.264 -0.349 -8.811 1.00 0.68 C ATOM 146 CG HIS A 9 -24.901 0.731 -7.820 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.901 0.520 -6.465 1.00 1.21 N ATOM 148 CD2 HIS A 9 -24.510 2.029 -7.968 1.00 1.22 C ATOM 149 CE1 HIS A 9 -24.538 1.599 -5.819 1.00 1.69 C ATOM 150 NE2 HIS A 9 -24.289 2.547 -6.707 1.00 1.75 N ATOM 0 H HIS A 9 -23.605 1.387 -9.781 1.00 0.43 H new ATOM 0 HA HIS A 9 -25.082 -0.885 -10.890 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.295 -0.652 -8.628 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.637 -1.219 -8.617 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -25.151 -0.362 -6.019 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -24.394 2.557 -8.903 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.456 1.698 -4.747 1.00 1.69 H new ATOM 158 N GLU A 10 -27.041 0.319 -11.777 1.00 0.60 N ATOM 159 CA GLU A 10 -28.259 0.951 -12.316 1.00 0.73 C ATOM 160 C GLU A 10 -29.428 0.685 -11.368 1.00 0.83 C ATOM 161 O GLU A 10 -30.334 1.504 -11.227 1.00 1.00 O ATOM 162 CB GLU A 10 -28.580 0.382 -13.704 1.00 0.79 C ATOM 163 CG GLU A 10 -27.822 1.129 -14.810 1.00 1.28 C ATOM 164 CD GLU A 10 -28.566 2.396 -15.223 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.807 2.370 -15.275 1.00 1.72 O ATOM 166 OE2 GLU A 10 -27.906 3.422 -15.490 1.00 1.52 O ATOM 0 H GLU A 10 -26.782 -0.548 -12.249 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.096 2.025 -12.405 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -28.319 -0.676 -13.734 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -29.652 0.451 -13.887 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.823 1.388 -14.460 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.698 0.477 -15.675 1.00 1.28 H new ATOM 173 N TRP A 11 -29.372 -0.464 -10.715 1.00 0.82 N ATOM 174 CA TRP A 11 -30.371 -0.893 -9.751 1.00 0.96 C ATOM 175 C TRP A 11 -29.733 -1.981 -8.890 1.00 0.94 C ATOM 176 O TRP A 11 -29.237 -2.987 -9.412 1.00 0.84 O ATOM 177 CB TRP A 11 -31.632 -1.413 -10.464 1.00 1.08 C ATOM 178 CG TRP A 11 -32.604 -2.112 -9.547 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.440 -1.541 -8.624 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.828 -3.530 -9.474 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.153 -2.535 -8.008 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.809 -3.755 -8.506 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.291 -4.625 -10.146 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -34.256 -5.029 -8.200 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -32.732 -5.900 -9.849 1.00 1.35 C ATOM 186 CH2 TRP A 11 -33.710 -6.103 -8.887 1.00 1.53 C ATOM 0 H TRP A 11 -28.616 -1.137 -10.843 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.688 -0.057 -9.128 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.138 -0.576 -10.945 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.333 -2.101 -11.255 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.523 -0.484 -8.417 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.847 -2.382 -7.276 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.531 -4.478 -10.899 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -35.012 -5.183 -7.444 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.311 -6.747 -10.371 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.049 -7.105 -8.671 1.00 1.53 H new ATOM 197 N GLU A 12 -29.732 -1.759 -7.584 1.00 1.16 N ATOM 198 CA GLU A 12 -29.144 -2.698 -6.631 1.00 1.26 C ATOM 199 C GLU A 12 -30.064 -2.880 -5.427 1.00 1.56 C ATOM 200 O GLU A 12 -29.768 -2.411 -4.329 1.00 2.03 O ATOM 201 CB GLU A 12 -27.764 -2.188 -6.188 1.00 1.34 C ATOM 202 CG GLU A 12 -27.040 -3.195 -5.286 1.00 1.63 C ATOM 203 CD GLU A 12 -25.574 -2.804 -5.132 1.00 1.81 C ATOM 204 OE1 GLU A 12 -25.287 -1.610 -4.902 1.00 2.09 O ATOM 205 OE2 GLU A 12 -24.701 -3.684 -5.249 1.00 2.05 O ATOM 0 H GLU A 12 -30.136 -0.928 -7.153 1.00 1.16 H new ATOM 0 HA GLU A 12 -29.023 -3.668 -7.113 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -27.153 -1.985 -7.068 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -27.880 -1.244 -5.656 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -27.520 -3.229 -4.308 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -27.114 -4.195 -5.712 1.00 1.63 H new ATOM 212 N ALA A 13 -31.180 -3.584 -5.647 1.00 1.77 N ATOM 213 CA ALA A 13 -32.171 -3.876 -4.597 1.00 2.14 C ATOM 214 C ALA A 13 -32.593 -2.614 -3.834 1.00 2.15 C ATOM 215 O ALA A 13 -32.471 -2.547 -2.610 1.00 2.54 O ATOM 216 CB ALA A 13 -31.593 -4.912 -3.626 1.00 2.70 C ATOM 0 H ALA A 13 -31.425 -3.970 -6.559 1.00 1.77 H new ATOM 0 HA ALA A 13 -33.064 -4.274 -5.079 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -32.325 -5.130 -2.848 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -31.357 -5.827 -4.169 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -30.685 -4.517 -3.170 1.00 2.70 H new ATOM 222 N HIS A 14 -33.081 -1.618 -4.562 1.00 2.38 N ATOM 223 CA HIS A 14 -33.518 -0.354 -3.956 1.00 2.81 C ATOM 224 C HIS A 14 -34.263 0.493 -4.993 1.00 2.77 C ATOM 225 O HIS A 14 -33.653 1.019 -5.930 1.00 3.31 O ATOM 226 CB HIS A 14 -32.305 0.430 -3.392 1.00 3.51 C ATOM 227 CG HIS A 14 -32.592 1.127 -2.091 1.00 3.99 C ATOM 228 ND1 HIS A 14 -32.210 2.417 -1.824 1.00 4.73 N ATOM 229 CD2 HIS A 14 -33.218 0.710 -0.961 1.00 4.33 C ATOM 230 CE1 HIS A 14 -32.568 2.778 -0.616 1.00 5.34 C ATOM 231 NE2 HIS A 14 -33.192 1.754 -0.054 1.00 5.13 N ATOM 0 H HIS A 14 -33.187 -1.655 -5.576 1.00 2.38 H new ATOM 0 HA HIS A 14 -34.193 -0.579 -3.130 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -31.472 -0.259 -3.250 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -31.986 1.168 -4.128 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -33.658 -0.263 -0.799 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -32.386 3.740 -0.160 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -33.586 1.738 0.887 1.00 5.13 H new ATOM 239 N ASN A 15 -35.577 0.631 -4.807 1.00 2.64 N ATOM 240 CA ASN A 15 -36.443 1.422 -5.701 1.00 2.83 C ATOM 241 C ASN A 15 -36.441 0.844 -7.127 1.00 2.48 C ATOM 242 O ASN A 15 -36.104 -0.327 -7.334 1.00 2.96 O ATOM 243 CB ASN A 15 -35.992 2.904 -5.700 1.00 3.64 C ATOM 244 CG ASN A 15 -37.185 3.857 -5.844 1.00 4.19 C ATOM 245 OD1 ASN A 15 -38.299 3.445 -6.169 1.00 4.25 O ATOM 246 ND2 ASN A 15 -36.952 5.138 -5.604 1.00 4.99 N ATOM 0 H ASN A 15 -36.078 0.198 -4.031 1.00 2.64 H new ATOM 0 HA ASN A 15 -37.466 1.370 -5.329 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -35.461 3.123 -4.774 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -35.291 3.072 -6.517 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -37.708 5.818 -5.686 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -36.017 5.445 -5.337 1.00 4.99 H new ATOM 253 N LYS A 16 -36.814 1.668 -8.107 1.00 2.30 N ATOM 254 CA LYS A 16 -36.850 1.249 -9.513 1.00 2.46 C ATOM 255 C LYS A 16 -35.431 1.206 -10.077 1.00 2.10 C ATOM 256 O LYS A 16 -34.976 0.170 -10.568 1.00 2.44 O ATOM 257 CB LYS A 16 -37.715 2.218 -10.333 1.00 3.26 C ATOM 258 CG LYS A 16 -39.214 1.986 -10.094 1.00 3.87 C ATOM 259 CD LYS A 16 -39.821 3.056 -9.181 1.00 4.83 C ATOM 260 CE LYS A 16 -40.720 2.440 -8.103 1.00 5.52 C ATOM 261 NZ LYS A 16 -41.860 1.682 -8.694 1.00 6.03 N ATOM 0 H LYS A 16 -37.097 2.636 -7.954 1.00 2.30 H new ATOM 0 HA LYS A 16 -37.288 0.253 -9.575 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -37.460 3.245 -10.070 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -37.493 2.096 -11.393 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -39.738 1.985 -11.050 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -39.362 1.002 -9.648 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -39.022 3.625 -8.706 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -40.400 3.759 -9.780 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -40.129 1.774 -7.475 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -41.105 3.229 -7.457 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -42.481 1.339 -7.933 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -42.400 2.306 -9.327 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -41.495 0.872 -9.235 1.00 6.03 H new ATOM 275 N LYS A 17 -34.737 2.334 -9.991 1.00 1.88 N ATOM 276 CA LYS A 17 -33.362 2.457 -10.474 1.00 1.62 C ATOM 277 C LYS A 17 -32.613 3.490 -9.633 1.00 1.62 C ATOM 278 O LYS A 17 -33.217 4.247 -8.865 1.00 2.06 O ATOM 279 CB LYS A 17 -33.353 2.887 -11.951 1.00 1.84 C ATOM 280 CG LYS A 17 -33.539 1.707 -12.901 1.00 2.30 C ATOM 281 CD LYS A 17 -33.313 2.134 -14.355 1.00 2.75 C ATOM 282 CE LYS A 17 -33.186 0.924 -15.289 1.00 3.27 C ATOM 283 NZ LYS A 17 -31.763 0.639 -15.638 1.00 3.75 N ATOM 0 H LYS A 17 -35.110 3.192 -9.584 1.00 1.88 H new ATOM 0 HA LYS A 17 -32.869 1.489 -10.386 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -34.147 3.615 -12.120 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.410 3.386 -12.176 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.842 0.911 -12.639 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -34.544 1.300 -12.789 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -34.142 2.761 -14.683 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.409 2.740 -14.420 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -33.625 0.048 -14.811 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -33.754 1.108 -16.201 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -31.652 0.640 -16.672 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -31.151 1.370 -15.223 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -31.493 -0.292 -15.262 1.00 3.75 H new ATOM 297 N ALA A 18 -31.299 3.514 -9.799 1.00 1.43 N ATOM 298 CA ALA A 18 -30.421 4.444 -9.096 1.00 1.61 C ATOM 299 C ALA A 18 -29.630 5.239 -10.129 1.00 1.86 C ATOM 300 O ALA A 18 -28.455 4.959 -10.380 1.00 2.10 O ATOM 301 CB ALA A 18 -29.475 3.670 -8.169 1.00 1.58 C ATOM 0 H ALA A 18 -30.805 2.884 -10.431 1.00 1.43 H new ATOM 0 HA ALA A 18 -31.009 5.128 -8.484 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -28.823 4.371 -7.648 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -30.059 3.107 -7.441 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -28.870 2.981 -8.759 1.00 1.58 H new ATOM 307 N SER A 19 -30.282 6.233 -10.740 1.00 2.24 N ATOM 308 CA SER A 19 -29.648 7.074 -11.765 1.00 2.71 C ATOM 309 C SER A 19 -28.767 8.144 -11.112 1.00 2.85 C ATOM 310 O SER A 19 -28.853 9.330 -11.442 1.00 3.33 O ATOM 311 CB SER A 19 -30.724 7.729 -12.640 1.00 3.28 C ATOM 312 OG SER A 19 -31.696 6.771 -13.045 1.00 3.62 O ATOM 0 H SER A 19 -31.253 6.477 -10.543 1.00 2.24 H new ATOM 0 HA SER A 19 -29.015 6.446 -12.392 1.00 2.71 H new ATOM 0 HB2 SER A 19 -31.208 8.534 -12.088 1.00 3.28 H new ATOM 0 HB3 SER A 19 -30.261 8.178 -13.519 1.00 3.28 H new ATOM 0 HG SER A 19 -32.375 7.208 -13.601 1.00 3.62 H new ATOM 318 N SER A 20 -27.920 7.705 -10.186 1.00 2.92 N ATOM 319 CA SER A 20 -27.006 8.584 -9.466 1.00 3.46 C ATOM 320 C SER A 20 -25.602 8.486 -10.071 1.00 3.36 C ATOM 321 O SER A 20 -25.298 7.549 -10.807 1.00 3.74 O ATOM 322 CB SER A 20 -26.967 8.182 -7.984 1.00 4.13 C ATOM 323 OG SER A 20 -26.681 9.306 -7.163 1.00 4.31 O ATOM 0 H SER A 20 -27.848 6.725 -9.913 1.00 2.92 H new ATOM 0 HA SER A 20 -27.355 9.613 -9.550 1.00 3.46 H new ATOM 0 HB2 SER A 20 -27.925 7.749 -7.695 1.00 4.13 H new ATOM 0 HB3 SER A 20 -26.210 7.413 -7.831 1.00 4.13 H new ATOM 0 HG SER A 20 -26.663 9.028 -6.223 1.00 4.31 H new ATOM 329 N ARG A 21 -24.748 9.452 -9.754 1.00 3.28 N ATOM 330 CA ARG A 21 -23.375 9.475 -10.259 1.00 3.37 C ATOM 331 C ARG A 21 -22.486 8.520 -9.449 1.00 2.30 C ATOM 332 O ARG A 21 -21.667 8.956 -8.640 1.00 2.78 O ATOM 333 CB ARG A 21 -22.835 10.910 -10.184 1.00 4.44 C ATOM 334 CG ARG A 21 -21.531 11.070 -10.966 1.00 5.18 C ATOM 335 CD ARG A 21 -21.795 11.282 -12.458 1.00 5.89 C ATOM 336 NE ARG A 21 -20.552 11.166 -13.224 1.00 6.25 N ATOM 337 CZ ARG A 21 -19.552 12.038 -13.092 1.00 6.92 C ATOM 338 NH1 ARG A 21 -19.736 13.317 -13.377 1.00 7.43 N ATOM 339 NH2 ARG A 21 -18.375 11.619 -12.658 1.00 7.30 N ATOM 0 H ARG A 21 -24.982 10.236 -9.145 1.00 3.28 H new ATOM 0 HA ARG A 21 -23.366 9.140 -11.296 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -23.581 11.600 -10.578 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -22.669 11.181 -9.141 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -20.970 11.917 -10.571 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -20.911 10.184 -10.827 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -22.517 10.547 -12.813 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -22.237 12.266 -12.618 1.00 5.89 H new ATOM 0 HE ARG A 21 -20.448 10.392 -13.880 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -20.647 13.642 -13.700 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -18.966 13.978 -13.274 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -18.237 10.635 -12.427 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -17.605 12.280 -12.554 1.00 7.30 H new ATOM 353 N SER A 22 -22.656 7.217 -9.680 1.00 1.32 N ATOM 354 CA SER A 22 -21.878 6.186 -8.982 1.00 0.74 C ATOM 355 C SER A 22 -21.060 5.368 -9.981 1.00 0.68 C ATOM 356 O SER A 22 -21.432 4.252 -10.338 1.00 1.69 O ATOM 357 CB SER A 22 -22.812 5.265 -8.197 1.00 1.62 C ATOM 358 OG SER A 22 -23.740 6.017 -7.421 1.00 1.86 O ATOM 0 H SER A 22 -23.330 6.847 -10.350 1.00 1.32 H new ATOM 0 HA SER A 22 -21.195 6.677 -8.288 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.352 4.616 -8.886 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.226 4.619 -7.543 1.00 1.62 H new ATOM 0 HG SER A 22 -24.424 5.417 -7.058 1.00 1.86 H new ATOM 364 N TRP A 23 -19.942 5.935 -10.410 1.00 0.69 N ATOM 365 CA TRP A 23 -19.026 5.289 -11.360 1.00 0.41 C ATOM 366 C TRP A 23 -17.660 5.122 -10.691 1.00 0.40 C ATOM 367 O TRP A 23 -16.826 6.030 -10.732 1.00 0.55 O ATOM 368 CB TRP A 23 -18.897 6.141 -12.644 1.00 0.43 C ATOM 369 CG TRP A 23 -19.874 5.759 -13.722 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.943 6.488 -14.165 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.856 4.550 -14.508 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.579 5.784 -15.151 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.943 4.602 -15.388 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.028 3.431 -14.543 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.215 3.575 -16.283 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.290 2.406 -15.437 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.372 2.476 -16.301 1.00 0.31 C ATOM 0 H TRP A 23 -19.636 6.861 -10.112 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.417 4.311 -11.641 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.042 7.191 -12.389 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.883 6.045 -13.033 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.237 7.460 -13.797 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.415 6.101 -15.642 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.183 3.362 -13.874 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.063 3.632 -16.949 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.643 1.541 -15.461 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.559 1.668 -16.993 1.00 0.31 H new ATOM 388 N HIS A 24 -17.449 3.967 -10.060 1.00 0.37 N ATOM 389 CA HIS A 24 -16.191 3.668 -9.353 1.00 0.45 C ATOM 390 C HIS A 24 -15.342 2.661 -10.133 1.00 0.36 C ATOM 391 O HIS A 24 -15.841 1.634 -10.601 1.00 0.34 O ATOM 392 CB HIS A 24 -16.465 3.130 -7.926 1.00 0.61 C ATOM 393 CG HIS A 24 -17.630 2.180 -7.829 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.935 2.589 -7.718 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.687 0.826 -7.836 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.747 1.561 -7.666 1.00 2.98 C ATOM 397 NE2 HIS A 24 -19.016 0.458 -7.734 1.00 2.74 N ATOM 0 H HIS A 24 -18.136 3.214 -10.021 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.636 4.603 -9.273 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.570 2.625 -7.564 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.645 3.975 -7.261 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.234 3.564 -7.681 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.845 0.154 -7.908 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.823 1.605 -7.582 1.00 2.98 H new ATOM 405 N ASN A 25 -14.048 2.958 -10.239 1.00 0.37 N ATOM 406 CA ASN A 25 -13.086 2.092 -10.928 1.00 0.35 C ATOM 407 C ASN A 25 -12.636 0.995 -9.961 1.00 0.34 C ATOM 408 O ASN A 25 -12.019 1.278 -8.932 1.00 0.55 O ATOM 409 CB ASN A 25 -11.879 2.919 -11.413 1.00 0.44 C ATOM 410 CG ASN A 25 -11.078 2.156 -12.474 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.492 2.059 -13.633 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.934 1.614 -12.085 1.00 1.49 N ATOM 0 H ASN A 25 -13.634 3.805 -9.850 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.553 1.637 -11.801 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.226 3.866 -11.826 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.234 3.157 -10.567 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.363 1.095 -12.752 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.624 1.715 -11.118 1.00 1.49 H new ATOM 419 N VAL A 26 -12.970 -0.248 -10.288 1.00 0.22 N ATOM 420 CA VAL A 26 -12.633 -1.403 -9.452 1.00 0.21 C ATOM 421 C VAL A 26 -11.795 -2.413 -10.246 1.00 0.18 C ATOM 422 O VAL A 26 -11.805 -2.415 -11.478 1.00 0.23 O ATOM 423 CB VAL A 26 -13.936 -2.040 -8.927 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.587 -2.954 -9.971 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.693 -2.800 -7.625 1.00 0.31 C ATOM 0 H VAL A 26 -13.481 -0.487 -11.138 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.032 -1.081 -8.602 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.630 -1.224 -8.725 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.502 -3.382 -9.560 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.826 -2.375 -10.863 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -13.897 -3.756 -10.233 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.629 -3.238 -7.279 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.964 -3.592 -7.796 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.312 -2.114 -6.869 1.00 0.31 H new ATOM 435 N TYR A 27 -11.081 -3.271 -9.530 1.00 0.16 N ATOM 436 CA TYR A 27 -10.235 -4.304 -10.133 1.00 0.16 C ATOM 437 C TYR A 27 -10.974 -5.641 -10.078 1.00 0.19 C ATOM 438 O TYR A 27 -11.040 -6.284 -9.028 1.00 0.34 O ATOM 439 CB TYR A 27 -8.900 -4.371 -9.375 1.00 0.17 C ATOM 440 CG TYR A 27 -7.802 -5.088 -10.131 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.643 -6.454 -10.000 1.00 0.26 C ATOM 442 CD2 TYR A 27 -6.942 -4.373 -10.946 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.629 -7.104 -10.685 1.00 0.30 C ATOM 444 CE2 TYR A 27 -5.930 -5.016 -11.628 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.775 -6.380 -11.498 1.00 0.29 C ATOM 446 OH TYR A 27 -4.764 -7.023 -12.184 1.00 0.37 O ATOM 0 H TYR A 27 -11.069 -3.274 -8.510 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.022 -4.068 -11.176 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.570 -3.357 -9.149 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.060 -4.874 -8.421 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.310 -7.016 -9.363 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.064 -3.305 -11.049 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.506 -8.172 -10.585 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.261 -4.453 -12.262 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.257 -6.369 -12.709 1.00 0.37 H new ATOM 456 N CYS A 28 -11.550 -6.037 -11.210 1.00 0.16 N ATOM 457 CA CYS A 28 -12.318 -7.282 -11.308 1.00 0.19 C ATOM 458 C CYS A 28 -11.408 -8.460 -11.656 1.00 0.19 C ATOM 459 O CYS A 28 -10.531 -8.349 -12.517 1.00 0.23 O ATOM 460 CB CYS A 28 -13.410 -7.134 -12.374 1.00 0.23 C ATOM 461 SG CYS A 28 -14.390 -5.637 -12.157 1.00 0.34 S ATOM 0 H CYS A 28 -11.500 -5.510 -12.082 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.778 -7.480 -10.340 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.949 -7.123 -13.362 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.067 -8.003 -12.339 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.319 -5.851 -11.273 1.00 0.34 H new ATOM 467 N VAL A 29 -11.628 -9.590 -10.981 1.00 0.21 N ATOM 468 CA VAL A 29 -10.850 -10.812 -11.201 1.00 0.24 C ATOM 469 C VAL A 29 -11.795 -12.011 -11.222 1.00 0.26 C ATOM 470 O VAL A 29 -12.346 -12.386 -10.188 1.00 0.38 O ATOM 471 CB VAL A 29 -9.805 -10.986 -10.084 1.00 0.29 C ATOM 472 CG1 VAL A 29 -8.918 -12.211 -10.342 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.952 -9.727 -9.938 1.00 0.33 C ATOM 0 H VAL A 29 -12.350 -9.684 -10.267 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.328 -10.741 -12.155 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.341 -11.148 -9.149 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.190 -12.309 -9.537 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.538 -13.107 -10.382 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.396 -12.089 -11.291 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.221 -9.873 -9.143 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.433 -9.528 -10.876 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.592 -8.880 -9.691 1.00 0.33 H new ATOM 483 N ILE A 30 -11.981 -12.606 -12.401 1.00 0.28 N ATOM 484 CA ILE A 30 -12.863 -13.767 -12.557 1.00 0.32 C ATOM 485 C ILE A 30 -12.112 -15.045 -12.170 1.00 0.35 C ATOM 486 O ILE A 30 -11.136 -15.418 -12.823 1.00 0.44 O ATOM 487 CB ILE A 30 -13.375 -13.865 -14.003 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.073 -12.561 -14.411 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.334 -15.053 -14.163 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.445 -12.560 -15.891 1.00 0.57 C ATOM 0 H ILE A 30 -11.532 -12.303 -13.265 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.723 -13.647 -11.898 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.518 -14.025 -14.658 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.972 -12.426 -13.810 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.418 -11.716 -14.200 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.683 -15.102 -15.194 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.814 -15.977 -13.912 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.187 -14.924 -13.497 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.937 -11.620 -16.142 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.543 -12.669 -16.493 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.121 -13.390 -16.097 1.00 0.57 H new ATOM 502 N ASN A 31 -12.570 -15.701 -11.104 1.00 0.46 N ATOM 503 CA ASN A 31 -11.955 -16.940 -10.611 1.00 0.58 C ATOM 504 C ASN A 31 -12.917 -18.109 -10.834 1.00 0.71 C ATOM 505 O ASN A 31 -13.738 -18.430 -9.969 1.00 1.20 O ATOM 506 CB ASN A 31 -11.600 -16.800 -9.117 1.00 0.73 C ATOM 507 CG ASN A 31 -10.661 -17.929 -8.674 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.457 -17.879 -8.923 1.00 1.27 O ATOM 509 ND2 ASN A 31 -11.207 -18.951 -8.028 1.00 1.47 N ATOM 0 H ASN A 31 -13.374 -15.393 -10.558 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.034 -17.132 -11.161 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.125 -15.835 -8.940 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.511 -16.822 -8.518 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.624 -19.730 -7.720 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -12.209 -18.958 -7.839 1.00 1.47 H new ATOM 516 N ASN A 32 -12.811 -18.731 -12.010 1.00 0.85 N ATOM 517 CA ASN A 32 -13.651 -19.871 -12.408 1.00 1.00 C ATOM 518 C ASN A 32 -15.116 -19.449 -12.591 1.00 1.00 C ATOM 519 O ASN A 32 -15.501 -19.024 -13.679 1.00 1.97 O ATOM 520 CB ASN A 32 -13.512 -21.037 -11.403 1.00 1.24 C ATOM 521 CG ASN A 32 -14.133 -22.321 -11.963 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.040 -22.896 -11.362 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.648 -22.768 -13.111 1.00 2.52 N ATOM 0 H ASN A 32 -12.134 -18.458 -12.722 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.297 -20.228 -13.375 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.459 -21.206 -11.180 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -13.999 -20.773 -10.464 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.027 -23.618 -13.528 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -12.895 -22.262 -13.578 1.00 2.52 H new ATOM 530 N GLN A 33 -15.928 -19.573 -11.537 1.00 0.75 N ATOM 531 CA GLN A 33 -17.352 -19.211 -11.603 1.00 0.67 C ATOM 532 C GLN A 33 -17.712 -18.166 -10.540 1.00 0.56 C ATOM 533 O GLN A 33 -18.911 -17.962 -10.244 1.00 0.71 O ATOM 534 CB GLN A 33 -18.216 -20.470 -11.432 1.00 0.83 C ATOM 535 CG GLN A 33 -18.013 -21.462 -12.585 1.00 1.46 C ATOM 536 CD GLN A 33 -18.624 -20.921 -13.880 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.815 -21.099 -14.134 1.00 2.11 O ATOM 538 NE2 GLN A 33 -17.821 -20.244 -14.689 1.00 2.67 N ATOM 0 H GLN A 33 -15.626 -19.921 -10.627 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.549 -18.769 -12.580 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.969 -20.955 -10.488 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.267 -20.185 -11.378 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -16.948 -21.647 -12.729 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.471 -22.418 -12.333 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -16.839 -20.117 -14.444 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.185 -19.850 -15.556 1.00 2.67 H new ATOM 547 N GLU A 34 -16.681 -17.492 -9.990 1.00 0.53 N ATOM 548 CA GLU A 34 -16.872 -16.456 -8.981 1.00 0.49 C ATOM 549 C GLU A 34 -15.853 -15.343 -9.215 1.00 0.45 C ATOM 550 O GLU A 34 -14.646 -15.591 -9.189 1.00 0.64 O ATOM 551 CB GLU A 34 -16.699 -17.049 -7.579 1.00 0.61 C ATOM 552 CG GLU A 34 -17.082 -16.041 -6.492 1.00 1.25 C ATOM 553 CD GLU A 34 -17.070 -16.710 -5.127 1.00 1.42 C ATOM 554 OE1 GLU A 34 -15.972 -16.967 -4.600 1.00 1.89 O ATOM 555 OE2 GLU A 34 -18.157 -16.990 -4.584 1.00 1.79 O ATOM 0 H GLU A 34 -15.705 -17.656 -10.237 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.880 -16.048 -9.059 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.316 -17.942 -7.482 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.664 -17.360 -7.440 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.384 -15.203 -6.501 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -18.072 -15.633 -6.696 1.00 1.25 H new ATOM 562 N MET A 35 -16.332 -14.124 -9.441 1.00 0.36 N ATOM 563 CA MET A 35 -15.453 -12.976 -9.675 1.00 0.35 C ATOM 564 C MET A 35 -15.324 -12.143 -8.406 1.00 0.32 C ATOM 565 O MET A 35 -16.267 -12.044 -7.617 1.00 0.42 O ATOM 566 CB MET A 35 -15.974 -12.118 -10.842 1.00 0.41 C ATOM 567 CG MET A 35 -17.349 -11.501 -10.565 1.00 0.43 C ATOM 568 SD MET A 35 -17.892 -10.438 -11.915 1.00 0.60 S ATOM 569 CE MET A 35 -19.581 -10.065 -11.413 1.00 1.25 C ATOM 0 H MET A 35 -17.327 -13.902 -9.468 1.00 0.36 H new ATOM 0 HA MET A 35 -14.465 -13.347 -9.947 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.259 -11.321 -11.047 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.032 -12.733 -11.740 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.079 -12.296 -10.412 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.308 -10.923 -9.642 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.942 -9.198 -11.967 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.221 -10.922 -11.623 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.604 -9.849 -10.345 1.00 1.25 H new ATOM 579 N GLY A 36 -14.145 -11.556 -8.210 1.00 0.27 N ATOM 580 CA GLY A 36 -13.860 -10.734 -7.036 1.00 0.29 C ATOM 581 C GLY A 36 -13.571 -9.285 -7.432 1.00 0.25 C ATOM 582 O GLY A 36 -12.761 -9.028 -8.326 1.00 0.28 O ATOM 0 H GLY A 36 -13.362 -11.637 -8.859 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.709 -10.765 -6.353 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.004 -11.145 -6.500 1.00 0.29 H new ATOM 586 N PHE A 37 -14.231 -8.347 -6.748 1.00 0.24 N ATOM 587 CA PHE A 37 -14.062 -6.907 -6.986 1.00 0.25 C ATOM 588 C PHE A 37 -13.058 -6.340 -5.977 1.00 0.25 C ATOM 589 O PHE A 37 -13.406 -6.081 -4.825 1.00 0.40 O ATOM 590 CB PHE A 37 -15.412 -6.187 -6.841 1.00 0.30 C ATOM 591 CG PHE A 37 -16.424 -6.591 -7.895 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.152 -6.392 -9.244 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.628 -7.165 -7.518 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.079 -6.766 -10.201 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.554 -7.536 -8.480 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.270 -7.327 -9.831 1.00 0.33 C ATOM 0 H PHE A 37 -14.901 -8.564 -6.010 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.688 -6.750 -7.998 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.823 -6.396 -5.853 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.250 -5.111 -6.897 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.216 -5.945 -9.545 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.845 -7.324 -6.472 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.860 -6.614 -11.248 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.491 -7.985 -8.186 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.991 -7.608 -10.584 1.00 0.33 H new ATOM 606 N TYR A 38 -11.815 -6.167 -6.412 1.00 0.20 N ATOM 607 CA TYR A 38 -10.741 -5.646 -5.554 1.00 0.21 C ATOM 608 C TYR A 38 -10.410 -4.193 -5.903 1.00 0.21 C ATOM 609 O TYR A 38 -10.949 -3.630 -6.855 1.00 0.23 O ATOM 610 CB TYR A 38 -9.501 -6.528 -5.711 1.00 0.23 C ATOM 611 CG TYR A 38 -9.763 -7.962 -5.322 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.828 -8.309 -3.987 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.945 -8.929 -6.295 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.067 -9.618 -3.620 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.185 -10.241 -5.929 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.245 -10.581 -4.591 1.00 0.44 C ATOM 617 OH TYR A 38 -10.474 -11.888 -4.224 1.00 0.55 O ATOM 0 H TYR A 38 -11.518 -6.381 -7.364 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.077 -5.667 -4.517 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.161 -6.491 -6.746 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.694 -6.129 -5.096 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.691 -7.554 -3.227 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -9.900 -8.659 -7.340 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.114 -9.887 -2.575 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.325 -10.998 -6.687 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.579 -12.440 -5.027 1.00 0.55 H new ATOM 627 N LYS A 39 -9.518 -3.592 -5.123 1.00 0.25 N ATOM 628 CA LYS A 39 -9.101 -2.197 -5.329 1.00 0.29 C ATOM 629 C LYS A 39 -8.135 -2.080 -6.515 1.00 0.28 C ATOM 630 O LYS A 39 -8.274 -1.191 -7.355 1.00 0.33 O ATOM 631 CB LYS A 39 -8.433 -1.667 -4.049 1.00 0.36 C ATOM 632 CG LYS A 39 -8.769 -0.197 -3.799 1.00 0.70 C ATOM 633 CD LYS A 39 -7.551 0.582 -3.303 1.00 1.15 C ATOM 634 CE LYS A 39 -6.645 1.015 -4.462 1.00 1.82 C ATOM 635 NZ LYS A 39 -6.945 2.407 -4.903 1.00 2.51 N ATOM 0 H LYS A 39 -9.062 -4.049 -4.333 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.984 -1.600 -5.555 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.757 -2.264 -3.196 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.352 -1.784 -4.128 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -9.140 0.254 -4.720 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.571 -0.126 -3.064 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.882 1.462 -2.751 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -6.982 -0.035 -2.608 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -5.602 0.947 -4.154 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.775 0.331 -5.301 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.314 2.666 -5.688 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.934 2.465 -5.220 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.797 3.062 -4.109 1.00 2.51 H new ATOM 649 N ASP A 40 -7.157 -2.986 -6.562 1.00 0.28 N ATOM 650 CA ASP A 40 -6.141 -3.016 -7.623 1.00 0.32 C ATOM 651 C ASP A 40 -5.484 -4.398 -7.665 1.00 0.33 C ATOM 652 O ASP A 40 -5.935 -5.331 -6.989 1.00 0.32 O ATOM 653 CB ASP A 40 -5.076 -1.919 -7.393 1.00 0.38 C ATOM 654 CG ASP A 40 -4.130 -2.266 -6.234 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.618 -2.581 -5.127 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.901 -2.249 -6.439 1.00 0.94 O ATOM 0 H ASP A 40 -7.044 -3.722 -5.865 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.625 -2.820 -8.580 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.496 -1.781 -8.305 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.572 -0.971 -7.184 1.00 0.38 H new ATOM 661 N ALA A 41 -4.404 -4.520 -8.440 1.00 0.40 N ATOM 662 CA ALA A 41 -3.660 -5.785 -8.560 1.00 0.45 C ATOM 663 C ALA A 41 -3.078 -6.214 -7.207 1.00 0.45 C ATOM 664 O ALA A 41 -3.091 -7.397 -6.865 1.00 0.47 O ATOM 665 CB ALA A 41 -2.529 -5.643 -9.586 1.00 0.55 C ATOM 0 H ALA A 41 -4.020 -3.757 -8.998 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.358 -6.552 -8.896 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.988 -6.586 -9.664 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -2.950 -5.385 -10.558 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.844 -4.857 -9.267 1.00 0.55 H new ATOM 671 N LYS A 42 -2.581 -5.245 -6.431 1.00 0.46 N ATOM 672 CA LYS A 42 -2.003 -5.523 -5.110 1.00 0.48 C ATOM 673 C LYS A 42 -3.091 -5.980 -4.130 1.00 0.43 C ATOM 674 O LYS A 42 -2.924 -6.974 -3.423 1.00 0.47 O ATOM 675 CB LYS A 42 -1.292 -4.278 -4.572 1.00 0.54 C ATOM 676 CG LYS A 42 -0.232 -3.761 -5.551 1.00 0.77 C ATOM 677 CD LYS A 42 0.673 -2.707 -4.898 1.00 1.12 C ATOM 678 CE LYS A 42 -0.131 -1.679 -4.088 1.00 1.96 C ATOM 679 NZ LYS A 42 -1.136 -0.972 -4.934 1.00 2.76 N ATOM 0 H LYS A 42 -2.567 -4.260 -6.695 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.274 -6.327 -5.213 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.025 -3.494 -4.383 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.822 -4.512 -3.617 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.375 -4.594 -5.904 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.722 -3.330 -6.424 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.392 -3.201 -4.244 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.245 -2.193 -5.670 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.638 -2.181 -3.264 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.550 -0.951 -3.647 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -1.748 -0.387 -4.330 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.646 -0.364 -5.621 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.716 -1.671 -5.441 1.00 2.76 H new ATOM 693 N SER A 43 -4.221 -5.263 -4.112 1.00 0.38 N ATOM 694 CA SER A 43 -5.352 -5.605 -3.237 1.00 0.38 C ATOM 695 C SER A 43 -5.976 -6.946 -3.648 1.00 0.39 C ATOM 696 O SER A 43 -6.516 -7.668 -2.809 1.00 0.45 O ATOM 697 CB SER A 43 -6.405 -4.495 -3.283 1.00 0.37 C ATOM 698 OG SER A 43 -5.818 -3.236 -2.971 1.00 1.04 O ATOM 0 H SER A 43 -4.378 -4.440 -4.694 1.00 0.38 H new ATOM 0 HA SER A 43 -4.980 -5.701 -2.217 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.858 -4.456 -4.274 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.205 -4.715 -2.576 1.00 0.37 H new ATOM 0 HG SER A 43 -5.224 -2.962 -3.701 1.00 1.04 H new ATOM 704 N ALA A 44 -5.885 -7.282 -4.941 1.00 0.37 N ATOM 705 CA ALA A 44 -6.422 -8.543 -5.463 1.00 0.43 C ATOM 706 C ALA A 44 -5.550 -9.718 -5.020 1.00 0.51 C ATOM 707 O ALA A 44 -6.058 -10.786 -4.679 1.00 0.59 O ATOM 708 CB ALA A 44 -6.498 -8.498 -6.991 1.00 0.43 C ATOM 0 H ALA A 44 -5.442 -6.694 -5.647 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.427 -8.680 -5.063 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.898 -9.441 -7.363 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.150 -7.680 -7.299 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.500 -8.341 -7.400 1.00 0.43 H new ATOM 714 N ALA A 45 -4.227 -9.505 -5.021 1.00 0.54 N ATOM 715 CA ALA A 45 -3.258 -10.534 -4.614 1.00 0.64 C ATOM 716 C ALA A 45 -3.354 -10.810 -3.108 1.00 0.68 C ATOM 717 O ALA A 45 -3.195 -11.949 -2.665 1.00 0.76 O ATOM 718 CB ALA A 45 -1.836 -10.090 -4.978 1.00 0.69 C ATOM 0 H ALA A 45 -3.800 -8.622 -5.301 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.493 -11.456 -5.147 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.126 -10.858 -4.673 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.767 -9.939 -6.055 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.604 -9.157 -4.465 1.00 0.69 H new ATOM 724 N SER A 46 -3.611 -9.756 -2.327 1.00 0.65 N ATOM 725 CA SER A 46 -3.733 -9.868 -0.863 1.00 0.73 C ATOM 726 C SER A 46 -5.153 -10.306 -0.456 1.00 0.74 C ATOM 727 O SER A 46 -5.352 -10.854 0.629 1.00 0.84 O ATOM 728 CB SER A 46 -3.380 -8.524 -0.211 1.00 0.75 C ATOM 729 OG SER A 46 -2.154 -8.017 -0.728 1.00 1.21 O ATOM 0 H SER A 46 -3.740 -8.809 -2.683 1.00 0.65 H new ATOM 0 HA SER A 46 -3.037 -10.631 -0.515 1.00 0.73 H new ATOM 0 HB2 SER A 46 -4.180 -7.806 -0.391 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.301 -8.648 0.869 1.00 0.75 H new ATOM 0 HG SER A 46 -2.304 -7.649 -1.624 1.00 1.21 H new ATOM 735 N GLY A 47 -6.134 -10.065 -1.331 1.00 0.70 N ATOM 736 CA GLY A 47 -7.530 -10.439 -1.071 1.00 0.74 C ATOM 737 C GLY A 47 -8.212 -9.454 -0.120 1.00 0.75 C ATOM 738 O GLY A 47 -8.810 -9.859 0.880 1.00 0.88 O ATOM 0 H GLY A 47 -5.987 -9.610 -2.232 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -8.078 -10.475 -2.012 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.565 -11.441 -0.643 1.00 0.74 H new ATOM 742 N ILE A 48 -8.122 -8.162 -0.438 1.00 0.67 N ATOM 743 CA ILE A 48 -8.732 -7.103 0.383 1.00 0.72 C ATOM 744 C ILE A 48 -10.148 -6.801 -0.132 1.00 0.75 C ATOM 745 O ILE A 48 -10.337 -6.570 -1.325 1.00 0.75 O ATOM 746 CB ILE A 48 -7.864 -5.834 0.341 1.00 0.71 C ATOM 747 CG1 ILE A 48 -6.370 -6.188 0.474 1.00 0.78 C ATOM 748 CG2 ILE A 48 -8.270 -4.870 1.456 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.497 -4.943 0.642 1.00 0.97 C ATOM 0 H ILE A 48 -7.630 -7.817 -1.263 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.796 -7.443 1.417 1.00 0.72 H new ATOM 0 HB ILE A 48 -8.023 -5.349 -0.622 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -6.229 -6.848 1.330 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -6.048 -6.739 -0.410 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -7.645 -3.978 1.411 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -9.315 -4.588 1.330 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -8.139 -5.356 2.423 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.452 -5.241 0.732 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.616 -4.295 -0.226 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -5.800 -4.405 1.540 1.00 0.97 H new ATOM 761 N PRO A 49 -11.164 -6.789 0.758 1.00 0.84 N ATOM 762 CA PRO A 49 -12.568 -6.516 0.369 1.00 0.93 C ATOM 763 C PRO A 49 -12.806 -5.054 -0.055 1.00 0.93 C ATOM 764 O PRO A 49 -12.203 -4.127 0.497 1.00 1.08 O ATOM 765 CB PRO A 49 -13.376 -6.887 1.616 1.00 1.07 C ATOM 766 CG PRO A 49 -12.418 -6.765 2.757 1.00 1.06 C ATOM 767 CD PRO A 49 -11.039 -7.046 2.205 1.00 0.92 C ATOM 0 HA PRO A 49 -12.859 -7.090 -0.511 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -14.229 -6.220 1.745 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.772 -7.900 1.541 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.463 -5.767 3.194 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.668 -7.471 3.549 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -10.289 -6.399 2.660 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.734 -8.074 2.401 1.00 0.92 H new ATOM 775 N TYR A 50 -13.679 -4.871 -1.051 1.00 0.87 N ATOM 776 CA TYR A 50 -14.017 -3.552 -1.595 1.00 0.91 C ATOM 777 C TYR A 50 -15.539 -3.376 -1.641 1.00 1.12 C ATOM 778 O TYR A 50 -16.272 -4.304 -1.989 1.00 1.91 O ATOM 779 CB TYR A 50 -13.429 -3.438 -3.010 1.00 0.92 C ATOM 780 CG TYR A 50 -13.395 -2.027 -3.568 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.391 -1.149 -3.192 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.361 -1.614 -4.476 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.353 0.135 -3.718 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.322 -0.330 -4.998 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.318 0.536 -4.618 1.00 1.17 C ATOM 786 OH TYR A 50 -13.280 1.811 -5.142 1.00 1.34 O ATOM 0 H TYR A 50 -14.174 -5.639 -1.505 1.00 0.87 H new ATOM 0 HA TYR A 50 -13.600 -2.772 -0.958 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.414 -3.836 -3.001 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.012 -4.067 -3.683 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.636 -1.465 -2.488 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.144 -2.294 -4.776 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.570 0.818 -3.423 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.076 -0.009 -5.701 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.030 1.933 -5.761 1.00 1.34 H new ATOM 796 N HIS A 51 -16.002 -2.170 -1.301 1.00 1.28 N ATOM 797 CA HIS A 51 -17.436 -1.812 -1.301 1.00 1.53 C ATOM 798 C HIS A 51 -18.243 -2.691 -0.308 1.00 1.61 C ATOM 799 O HIS A 51 -17.989 -2.628 0.897 1.00 2.07 O ATOM 800 CB HIS A 51 -17.991 -1.836 -2.757 1.00 2.01 C ATOM 801 CG HIS A 51 -18.248 -0.467 -3.316 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.501 -0.005 -3.622 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.413 0.557 -3.627 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.453 1.219 -4.097 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.185 1.599 -4.114 1.00 3.74 N ATOM 0 H HIS A 51 -15.393 -1.404 -1.015 1.00 1.28 H new ATOM 0 HA HIS A 51 -17.553 -0.792 -0.936 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.282 -2.357 -3.400 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.918 -2.409 -2.776 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.339 0.559 -3.515 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.298 1.810 -4.417 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.836 2.504 -4.431 1.00 3.74 H new ATOM 813 N SER A 52 -19.207 -3.492 -0.786 1.00 1.60 N ATOM 814 CA SER A 52 -20.030 -4.346 0.079 1.00 1.96 C ATOM 815 C SER A 52 -19.445 -5.762 0.122 1.00 1.85 C ATOM 816 O SER A 52 -18.639 -6.076 1.000 1.00 2.45 O ATOM 817 CB SER A 52 -21.485 -4.361 -0.436 1.00 2.44 C ATOM 818 OG SER A 52 -21.541 -4.084 -1.837 1.00 2.65 O ATOM 0 H SER A 52 -19.436 -3.565 -1.777 1.00 1.60 H new ATOM 0 HA SER A 52 -20.030 -3.947 1.093 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.934 -5.334 -0.237 1.00 2.44 H new ATOM 0 HB3 SER A 52 -22.073 -3.622 0.107 1.00 2.44 H new ATOM 0 HG SER A 52 -22.474 -4.101 -2.137 1.00 2.65 H new ATOM 824 N GLU A 53 -19.844 -6.600 -0.834 1.00 1.45 N ATOM 825 CA GLU A 53 -19.366 -7.977 -0.935 1.00 1.37 C ATOM 826 C GLU A 53 -18.410 -8.090 -2.119 1.00 1.08 C ATOM 827 O GLU A 53 -18.805 -7.861 -3.265 1.00 1.24 O ATOM 828 CB GLU A 53 -20.551 -8.936 -1.116 1.00 1.73 C ATOM 829 CG GLU A 53 -21.302 -9.169 0.201 1.00 2.39 C ATOM 830 CD GLU A 53 -22.437 -8.168 0.379 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.324 -8.102 -0.497 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.452 -7.455 1.403 1.00 3.23 O ATOM 0 H GLU A 53 -20.510 -6.342 -1.562 1.00 1.45 H new ATOM 0 HA GLU A 53 -18.841 -8.248 -0.019 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.237 -8.529 -1.859 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.191 -9.889 -1.503 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.703 -10.183 0.219 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -20.608 -9.086 1.037 1.00 2.39 H new ATOM 839 N VAL A 54 -17.153 -8.418 -1.834 1.00 0.84 N ATOM 840 CA VAL A 54 -16.124 -8.537 -2.872 1.00 0.66 C ATOM 841 C VAL A 54 -16.367 -9.720 -3.837 1.00 0.55 C ATOM 842 O VAL A 54 -16.083 -9.579 -5.025 1.00 0.49 O ATOM 843 CB VAL A 54 -14.699 -8.602 -2.251 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.578 -9.626 -1.124 1.00 1.34 C ATOM 845 CG2 VAL A 54 -13.641 -8.893 -3.319 1.00 0.77 C ATOM 0 H VAL A 54 -16.818 -8.608 -0.890 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.195 -7.631 -3.474 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.524 -7.617 -1.819 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.560 -9.620 -0.735 1.00 1.34 H new ATOM 0 HG12 VAL A 54 -15.273 -9.371 -0.324 1.00 1.34 H new ATOM 0 HG13 VAL A 54 -14.815 -10.619 -1.507 1.00 1.34 H new ATOM 0 HG21 VAL A 54 -12.656 -8.932 -2.854 1.00 0.77 H new ATOM 0 HG22 VAL A 54 -13.857 -9.850 -3.794 1.00 0.77 H new ATOM 0 HG23 VAL A 54 -13.656 -8.104 -4.071 1.00 0.77 H new ATOM 855 N PRO A 55 -16.891 -10.894 -3.381 1.00 0.62 N ATOM 856 CA PRO A 55 -17.127 -12.050 -4.262 1.00 0.59 C ATOM 857 C PRO A 55 -18.544 -12.068 -4.853 1.00 0.58 C ATOM 858 O PRO A 55 -19.530 -11.942 -4.123 1.00 0.83 O ATOM 859 CB PRO A 55 -16.907 -13.240 -3.329 1.00 0.76 C ATOM 860 CG PRO A 55 -17.187 -12.735 -1.940 1.00 0.87 C ATOM 861 CD PRO A 55 -17.294 -11.222 -2.004 1.00 0.83 C ATOM 0 HA PRO A 55 -16.473 -12.044 -5.134 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.572 -14.065 -3.586 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.887 -13.616 -3.409 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.112 -13.167 -1.557 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.390 -13.032 -1.258 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -18.309 -10.885 -1.794 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.642 -10.745 -1.273 1.00 0.83 H new ATOM 869 N VAL A 56 -18.636 -12.240 -6.169 1.00 0.41 N ATOM 870 CA VAL A 56 -19.923 -12.293 -6.871 1.00 0.43 C ATOM 871 C VAL A 56 -19.923 -13.471 -7.853 1.00 0.42 C ATOM 872 O VAL A 56 -18.903 -13.775 -8.478 1.00 0.43 O ATOM 873 CB VAL A 56 -20.179 -10.960 -7.592 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.391 -11.055 -8.521 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.399 -9.835 -6.573 1.00 0.63 C ATOM 0 H VAL A 56 -17.826 -12.347 -6.780 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.730 -12.447 -6.155 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.299 -10.736 -8.194 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.546 -10.096 -9.016 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.215 -11.826 -9.271 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.277 -11.310 -7.939 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.579 -8.898 -7.099 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.261 -10.072 -5.949 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.514 -9.734 -5.945 1.00 0.63 H new ATOM 885 N SER A 57 -21.068 -14.143 -7.962 1.00 0.47 N ATOM 886 CA SER A 57 -21.234 -15.304 -8.829 1.00 0.48 C ATOM 887 C SER A 57 -21.135 -14.944 -10.317 1.00 0.46 C ATOM 888 O SER A 57 -21.634 -13.906 -10.760 1.00 0.59 O ATOM 889 CB SER A 57 -22.581 -15.939 -8.527 1.00 0.61 C ATOM 890 OG SER A 57 -22.684 -16.259 -7.142 1.00 0.91 O ATOM 0 H SER A 57 -21.912 -13.894 -7.446 1.00 0.47 H new ATOM 0 HA SER A 57 -20.424 -16.005 -8.627 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.383 -15.256 -8.809 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.706 -16.842 -9.125 1.00 0.61 H new ATOM 0 HG SER A 57 -23.558 -16.665 -6.964 1.00 0.91 H new ATOM 896 N LEU A 58 -20.482 -15.830 -11.071 1.00 0.44 N ATOM 897 CA LEU A 58 -20.281 -15.674 -12.519 1.00 0.49 C ATOM 898 C LEU A 58 -21.255 -16.579 -13.285 1.00 0.60 C ATOM 899 O LEU A 58 -21.776 -16.200 -14.333 1.00 0.89 O ATOM 900 CB LEU A 58 -18.830 -16.050 -12.866 1.00 0.67 C ATOM 901 CG LEU A 58 -18.314 -15.363 -14.140 1.00 0.70 C ATOM 902 CD1 LEU A 58 -19.112 -15.787 -15.377 1.00 0.86 C ATOM 903 CD2 LEU A 58 -18.325 -13.838 -13.994 1.00 0.60 C ATOM 0 H LEU A 58 -20.073 -16.685 -10.694 1.00 0.44 H new ATOM 0 HA LEU A 58 -20.470 -14.639 -12.805 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -18.183 -15.784 -12.030 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -18.762 -17.131 -12.991 1.00 0.67 H new ATOM 0 HG LEU A 58 -17.283 -15.687 -14.280 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -18.716 -15.280 -16.257 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -19.028 -16.865 -15.512 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -20.160 -15.518 -15.244 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -17.954 -13.382 -14.912 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -19.343 -13.498 -13.805 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -17.685 -13.548 -13.161 1.00 0.60 H new ATOM 915 N LYS A 59 -21.477 -17.790 -12.754 1.00 0.70 N ATOM 916 CA LYS A 59 -22.371 -18.789 -13.369 1.00 0.90 C ATOM 917 C LYS A 59 -23.765 -18.214 -13.676 1.00 0.87 C ATOM 918 O LYS A 59 -24.411 -17.627 -12.803 1.00 0.95 O ATOM 919 CB LYS A 59 -22.507 -20.007 -12.441 1.00 1.13 C ATOM 920 CG LYS A 59 -23.363 -21.108 -13.080 1.00 1.41 C ATOM 921 CD LYS A 59 -23.343 -22.401 -12.258 1.00 1.78 C ATOM 922 CE LYS A 59 -23.766 -23.613 -13.097 1.00 2.18 C ATOM 923 NZ LYS A 59 -24.906 -23.295 -14.007 1.00 2.83 N ATOM 0 H LYS A 59 -21.043 -18.107 -11.887 1.00 0.70 H new ATOM 0 HA LYS A 59 -21.923 -19.088 -14.317 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -21.518 -20.402 -12.210 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -22.955 -19.698 -11.497 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.390 -20.757 -13.179 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -22.998 -21.313 -14.086 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -22.341 -22.565 -11.862 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -24.011 -22.299 -11.403 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -22.917 -23.959 -13.687 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.049 -24.431 -12.435 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -25.418 -24.170 -14.241 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.553 -22.631 -13.535 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -24.543 -22.862 -14.880 1.00 2.83 H new ATOM 937 N GLU A 60 -24.206 -18.407 -14.928 1.00 0.89 N ATOM 938 CA GLU A 60 -25.515 -17.943 -15.420 1.00 0.93 C ATOM 939 C GLU A 60 -25.631 -16.414 -15.364 1.00 0.71 C ATOM 940 O GLU A 60 -26.658 -15.870 -14.961 1.00 0.82 O ATOM 941 CB GLU A 60 -26.656 -18.610 -14.634 1.00 1.20 C ATOM 942 CG GLU A 60 -26.684 -20.125 -14.870 1.00 1.43 C ATOM 943 CD GLU A 60 -27.467 -20.828 -13.769 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.385 -20.212 -13.197 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.169 -22.004 -13.475 1.00 2.33 O ATOM 0 H GLU A 60 -23.658 -18.895 -15.637 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.599 -18.237 -16.466 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -26.534 -18.408 -13.570 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.610 -18.175 -14.934 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.137 -20.339 -15.838 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.665 -20.512 -14.902 1.00 1.43 H new ATOM 952 N ALA A 61 -24.569 -15.729 -15.783 1.00 0.51 N ATOM 953 CA ALA A 61 -24.530 -14.266 -15.801 1.00 0.35 C ATOM 954 C ALA A 61 -24.936 -13.755 -17.182 1.00 0.35 C ATOM 955 O ALA A 61 -24.277 -14.056 -18.183 1.00 0.43 O ATOM 956 CB ALA A 61 -23.123 -13.772 -15.447 1.00 0.31 C ATOM 0 H ALA A 61 -23.713 -16.170 -16.119 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.231 -13.882 -15.060 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.105 -12.682 -15.463 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -22.853 -14.124 -14.451 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.408 -14.157 -16.174 1.00 0.31 H new ATOM 962 N ILE A 62 -26.016 -12.980 -17.230 1.00 0.34 N ATOM 963 CA ILE A 62 -26.517 -12.417 -18.485 1.00 0.37 C ATOM 964 C ILE A 62 -25.886 -11.043 -18.705 1.00 0.31 C ATOM 965 O ILE A 62 -25.824 -10.228 -17.782 1.00 0.31 O ATOM 966 CB ILE A 62 -28.049 -12.296 -18.440 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.694 -13.671 -18.244 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.587 -11.644 -19.717 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.164 -13.554 -17.853 1.00 1.27 C ATOM 0 H ILE A 62 -26.566 -12.725 -16.410 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.249 -13.077 -19.310 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.307 -11.661 -17.593 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.607 -14.248 -19.164 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.155 -14.219 -17.472 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.673 -11.571 -19.658 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.161 -10.646 -19.823 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.310 -12.250 -20.579 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.586 -14.550 -17.723 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.249 -12.999 -16.919 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.708 -13.029 -18.638 1.00 1.27 H new ATOM 981 N CYS A 63 -25.415 -10.784 -19.917 1.00 0.34 N ATOM 982 CA CYS A 63 -24.782 -9.506 -20.238 1.00 0.33 C ATOM 983 C CYS A 63 -25.185 -9.044 -21.645 1.00 0.34 C ATOM 984 O CYS A 63 -25.383 -9.859 -22.549 1.00 0.52 O ATOM 985 CB CYS A 63 -23.252 -9.650 -20.089 1.00 0.37 C ATOM 986 SG CYS A 63 -22.289 -8.491 -21.083 1.00 0.53 S ATOM 0 H CYS A 63 -25.458 -11.440 -20.697 1.00 0.34 H new ATOM 0 HA CYS A 63 -25.123 -8.737 -19.545 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.988 -9.516 -19.040 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.967 -10.666 -20.362 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.595 -7.273 -20.748 1.00 0.53 H new ATOM 992 N GLU A 64 -25.295 -7.721 -21.805 1.00 0.26 N ATOM 993 CA GLU A 64 -25.663 -7.083 -23.077 1.00 0.29 C ATOM 994 C GLU A 64 -24.680 -5.943 -23.367 1.00 0.24 C ATOM 995 O GLU A 64 -24.003 -5.461 -22.459 1.00 0.36 O ATOM 996 CB GLU A 64 -27.094 -6.524 -23.003 1.00 0.33 C ATOM 997 CG GLU A 64 -28.085 -7.533 -22.407 1.00 0.81 C ATOM 998 CD GLU A 64 -29.450 -6.881 -22.228 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.548 -5.914 -21.449 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.423 -7.329 -22.865 1.00 1.83 O ATOM 0 H GLU A 64 -25.130 -7.056 -21.050 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.620 -7.824 -23.875 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.096 -5.617 -22.399 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.423 -6.242 -24.003 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.171 -8.401 -23.061 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.716 -7.893 -21.447 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.613 -5.507 -24.620 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.715 -4.415 -25.022 1.00 0.32 C ATOM 1009 C VAL A 65 -24.420 -3.061 -24.870 1.00 0.31 C ATOM 1010 O VAL A 65 -25.613 -2.934 -25.156 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.248 -4.616 -26.473 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.163 -3.598 -26.841 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.718 -6.036 -26.678 1.00 0.39 C ATOM 0 H VAL A 65 -25.170 -5.891 -25.383 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.841 -4.425 -24.371 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.108 -4.463 -27.125 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.848 -3.759 -27.872 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.561 -2.589 -26.737 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.308 -3.721 -26.177 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.393 -6.157 -27.711 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.875 -6.210 -26.009 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.508 -6.754 -26.460 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.667 -2.055 -24.423 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.177 -0.694 -24.227 1.00 0.31 C ATOM 1025 C ALA A 66 -23.209 0.303 -24.873 1.00 0.34 C ATOM 1026 O ALA A 66 -22.276 0.801 -24.234 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.341 -0.398 -22.732 1.00 0.36 C ATOM 0 H ALA A 66 -22.681 -2.160 -24.185 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.155 -0.599 -24.698 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.720 0.616 -22.601 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.044 -1.108 -22.296 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.376 -0.491 -22.235 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.428 0.568 -26.158 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.583 1.481 -26.936 1.00 0.71 C ATOM 1035 C LEU A 67 -23.113 2.920 -26.872 1.00 0.89 C ATOM 1036 O LEU A 67 -22.335 3.871 -26.851 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.521 0.998 -28.400 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.077 0.777 -28.875 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.322 2.101 -28.953 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.340 -0.206 -27.961 1.00 1.38 C ATOM 0 H LEU A 67 -24.194 0.159 -26.692 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.581 1.478 -26.507 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.081 0.068 -28.498 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.006 1.732 -29.044 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.119 0.345 -29.875 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.302 1.919 -29.292 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.824 2.765 -29.656 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.300 2.566 -27.967 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.320 -0.343 -28.321 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.316 0.189 -26.946 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.858 -1.165 -27.965 1.00 1.38 H new ATOM 1052 N ASP A 68 -24.440 3.072 -26.863 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.083 4.397 -26.829 1.00 1.14 C ATOM 1054 C ASP A 68 -25.601 4.746 -25.424 1.00 0.87 C ATOM 1055 O ASP A 68 -26.636 5.406 -25.286 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.233 4.447 -27.858 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.309 3.401 -27.551 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.085 2.201 -27.820 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.382 3.783 -27.037 1.00 2.62 O ATOM 0 H ASP A 68 -25.097 2.292 -26.879 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.332 5.142 -27.090 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.680 5.441 -27.857 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.835 4.278 -28.858 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.878 4.332 -24.380 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.281 4.635 -22.998 1.00 0.69 C ATOM 1066 C TYR A 69 -24.816 6.042 -22.611 1.00 0.97 C ATOM 1067 O TYR A 69 -23.923 6.204 -21.775 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.715 3.598 -22.017 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.081 3.901 -20.576 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.406 3.841 -20.171 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.100 4.265 -19.668 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.746 4.147 -18.862 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.442 4.566 -18.361 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.760 4.508 -17.963 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.088 4.821 -16.662 1.00 0.97 O ATOM 0 H TYR A 69 -24.017 3.791 -24.460 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.369 4.592 -22.943 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.088 2.609 -22.283 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.630 3.566 -22.114 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.173 3.556 -20.875 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.067 4.314 -19.980 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.778 4.103 -18.546 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.676 4.846 -17.653 1.00 0.64 H new ATOM 0 HH TYR A 69 -26.926 4.375 -16.420 1.00 0.97 H new ATOM 1085 N LYS A 70 -25.425 7.055 -23.239 1.00 1.40 N ATOM 1086 CA LYS A 70 -25.102 8.475 -23.001 1.00 1.81 C ATOM 1087 C LYS A 70 -23.721 8.831 -23.574 1.00 1.82 C ATOM 1088 O LYS A 70 -23.596 9.744 -24.394 1.00 2.53 O ATOM 1089 CB LYS A 70 -25.173 8.825 -21.499 1.00 2.43 C ATOM 1090 CG LYS A 70 -26.477 8.332 -20.853 1.00 2.98 C ATOM 1091 CD LYS A 70 -27.710 8.887 -21.564 1.00 3.79 C ATOM 1092 CE LYS A 70 -28.995 8.582 -20.786 1.00 4.45 C ATOM 1093 NZ LYS A 70 -29.304 7.122 -20.752 1.00 4.84 N ATOM 0 H LYS A 70 -26.161 6.916 -23.932 1.00 1.40 H new ATOM 0 HA LYS A 70 -25.852 9.072 -23.520 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -24.322 8.380 -20.983 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -25.093 9.905 -21.374 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -26.504 7.243 -20.876 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -26.498 8.629 -19.805 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -27.605 9.965 -21.687 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -27.778 8.458 -22.563 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -28.897 8.954 -19.766 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -29.828 9.117 -21.241 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -30.181 6.965 -20.215 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -29.425 6.770 -21.723 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -28.522 6.612 -20.294 1.00 4.84 H new ATOM 1107 N LYS A 71 -22.696 8.093 -23.146 1.00 1.80 N ATOM 1108 CA LYS A 71 -21.319 8.294 -23.610 1.00 2.22 C ATOM 1109 C LYS A 71 -21.010 7.301 -24.732 1.00 2.19 C ATOM 1110 O LYS A 71 -21.210 6.094 -24.574 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.332 8.105 -22.441 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.939 8.555 -21.108 1.00 3.56 C ATOM 1113 CD LYS A 71 -19.898 8.544 -19.984 1.00 4.44 C ATOM 1114 CE LYS A 71 -18.921 9.719 -20.089 1.00 5.27 C ATOM 1115 NZ LYS A 71 -19.631 11.029 -20.144 1.00 5.62 N ATOM 0 H LYS A 71 -22.795 7.338 -22.467 1.00 1.80 H new ATOM 0 HA LYS A 71 -21.211 9.309 -23.991 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -20.044 7.056 -22.374 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -19.423 8.673 -22.637 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.350 9.559 -21.215 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -21.768 7.898 -20.844 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -20.406 8.581 -19.020 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -19.342 7.607 -20.015 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -18.246 9.708 -19.233 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -18.306 9.601 -20.981 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -18.971 11.792 -19.893 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -19.994 11.187 -21.106 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -20.424 11.022 -19.471 1.00 5.62 H new ATOM 1129 N LYS A 72 -20.518 7.807 -25.863 1.00 2.22 N ATOM 1130 CA LYS A 72 -20.175 6.968 -27.022 1.00 2.54 C ATOM 1131 C LYS A 72 -18.812 6.300 -26.815 1.00 1.92 C ATOM 1132 O LYS A 72 -17.867 6.532 -27.578 1.00 2.45 O ATOM 1133 CB LYS A 72 -20.152 7.827 -28.293 1.00 3.71 C ATOM 1134 CG LYS A 72 -21.471 8.576 -28.502 1.00 4.59 C ATOM 1135 CD LYS A 72 -21.430 9.425 -29.778 1.00 5.67 C ATOM 1136 CE LYS A 72 -22.834 9.726 -30.299 1.00 6.56 C ATOM 1137 NZ LYS A 72 -23.457 8.522 -30.915 1.00 7.03 N ATOM 0 H LYS A 72 -20.345 8.802 -26.006 1.00 2.22 H new ATOM 0 HA LYS A 72 -20.929 6.188 -27.128 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -19.333 8.544 -28.231 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -19.955 7.192 -29.157 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -22.292 7.862 -28.563 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -21.669 9.216 -27.642 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -20.908 10.360 -29.577 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -20.861 8.901 -30.546 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -23.459 10.081 -29.480 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -22.786 10.529 -31.035 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -24.284 8.808 -31.477 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -22.765 8.051 -31.532 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -23.757 7.865 -30.167 1.00 7.03 H new ATOM 1151 N LYS A 73 -18.722 5.477 -25.773 1.00 1.52 N ATOM 1152 CA LYS A 73 -17.496 4.761 -25.425 1.00 1.35 C ATOM 1153 C LYS A 73 -17.694 3.257 -25.645 1.00 1.05 C ATOM 1154 O LYS A 73 -18.065 2.837 -26.742 1.00 1.79 O ATOM 1155 CB LYS A 73 -17.120 5.069 -23.968 1.00 1.94 C ATOM 1156 CG LYS A 73 -16.938 6.572 -23.752 1.00 2.32 C ATOM 1157 CD LYS A 73 -16.592 6.880 -22.296 1.00 2.93 C ATOM 1158 CE LYS A 73 -15.266 7.637 -22.166 1.00 3.52 C ATOM 1159 NZ LYS A 73 -14.098 6.778 -22.513 1.00 3.96 N ATOM 0 H LYS A 73 -19.501 5.287 -25.143 1.00 1.52 H new ATOM 0 HA LYS A 73 -16.678 5.090 -26.066 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -17.897 4.694 -23.302 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -16.199 4.547 -23.709 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -16.147 6.943 -24.403 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -17.852 7.096 -24.031 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -17.392 7.472 -21.851 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -16.534 5.949 -21.733 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -15.281 8.510 -22.819 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -15.156 8.004 -21.145 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -13.221 7.328 -22.412 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -14.068 5.958 -21.874 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -14.189 6.448 -23.495 1.00 3.96 H new ATOM 1173 N HIS A 74 -17.444 2.458 -24.607 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.586 0.999 -24.675 1.00 0.38 C ATOM 1175 C HIS A 74 -18.052 0.475 -23.318 1.00 0.30 C ATOM 1176 O HIS A 74 -17.230 0.164 -22.449 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.240 0.353 -25.061 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.884 0.543 -26.511 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.800 1.270 -26.949 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.493 0.113 -27.645 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.748 1.291 -28.261 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.771 0.590 -28.722 1.00 1.53 N ATOM 0 H HIS A 74 -17.138 2.801 -23.696 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.324 0.741 -25.435 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.450 0.777 -24.441 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.280 -0.714 -24.840 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.384 -0.495 -27.696 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.001 1.792 -28.859 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.989 0.429 -29.705 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.372 0.387 -23.138 1.00 0.26 N ATOM 1191 CA VAL A 75 -19.970 -0.093 -21.889 1.00 0.23 C ATOM 1192 C VAL A 75 -20.801 -1.351 -22.171 1.00 0.22 C ATOM 1193 O VAL A 75 -21.229 -1.587 -23.303 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.856 1.021 -21.279 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.491 0.584 -19.955 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.053 2.310 -21.078 1.00 0.31 C ATOM 0 H VAL A 75 -20.054 0.645 -23.851 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.186 -0.345 -21.175 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.661 1.214 -21.989 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.104 1.394 -19.561 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.114 -0.294 -20.123 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.707 0.341 -19.238 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.698 3.077 -20.649 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.219 2.118 -20.403 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.670 2.654 -22.039 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.037 -2.152 -21.138 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.837 -3.369 -21.264 1.00 0.23 C ATOM 1208 C PHE A 76 -22.597 -3.622 -19.965 1.00 0.22 C ATOM 1209 O PHE A 76 -22.133 -3.274 -18.877 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.971 -4.579 -21.655 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.838 -4.898 -20.704 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.637 -4.212 -20.796 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.986 -5.905 -19.765 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.588 -4.533 -19.950 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.941 -6.221 -18.916 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.739 -5.538 -19.010 1.00 0.29 C ATOM 0 H PHE A 76 -20.684 -1.980 -20.197 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.558 -3.228 -22.069 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.615 -5.455 -21.734 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.553 -4.401 -22.646 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.519 -3.427 -21.528 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.919 -6.444 -19.696 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.652 -3.999 -20.024 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.062 -7.001 -18.179 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.921 -5.789 -18.351 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.778 -4.218 -20.092 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.639 -4.519 -18.945 1.00 0.28 C ATOM 1228 C LYS A 77 -24.328 -5.902 -18.392 1.00 0.31 C ATOM 1229 O LYS A 77 -23.978 -6.816 -19.139 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.115 -4.471 -19.363 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.543 -3.063 -19.791 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.701 -2.536 -18.932 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.057 -3.081 -19.404 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.525 -4.230 -18.573 1.00 1.95 N ATOM 0 H LYS A 77 -24.168 -4.507 -20.989 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.450 -3.771 -18.175 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.282 -5.167 -20.185 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.738 -4.803 -18.533 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.693 -2.385 -19.712 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.844 -3.077 -20.839 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.539 -2.817 -17.892 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.714 -1.447 -18.969 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.799 -2.283 -19.368 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.977 -3.396 -20.444 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.511 -4.455 -18.816 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.925 -5.059 -18.758 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.466 -3.977 -17.566 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.488 -6.042 -17.085 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.259 -7.304 -16.384 1.00 0.24 C ATOM 1250 C LEU A 78 -25.434 -7.534 -15.435 1.00 0.29 C ATOM 1251 O LEU A 78 -25.561 -6.857 -14.412 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.925 -7.240 -15.619 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.508 -8.580 -14.991 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -23.011 -8.680 -13.552 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.981 -9.775 -15.820 1.00 0.30 C ATOM 0 H LEU A 78 -24.782 -5.280 -16.474 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.194 -8.134 -17.087 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.141 -6.909 -16.300 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.003 -6.489 -14.833 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.418 -8.610 -14.981 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.706 -9.635 -13.125 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -22.588 -7.867 -12.961 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -24.099 -8.609 -13.541 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.664 -10.700 -15.339 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -24.068 -9.759 -15.894 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.548 -9.719 -16.819 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.306 -8.470 -15.803 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.500 -8.796 -15.020 1.00 0.40 C ATOM 1269 C ARG A 79 -27.338 -10.152 -14.331 1.00 0.45 C ATOM 1270 O ARG A 79 -27.018 -11.154 -14.980 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.720 -8.829 -15.953 1.00 0.50 C ATOM 1272 CG ARG A 79 -30.039 -8.705 -15.188 1.00 1.11 C ATOM 1273 CD ARG A 79 -31.239 -8.903 -16.116 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.156 -7.975 -17.250 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.235 -7.561 -17.909 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.683 -8.253 -18.942 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.854 -6.451 -17.530 1.00 2.99 N ATOM 0 H ARG A 79 -26.206 -9.025 -16.653 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.641 -8.035 -14.252 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.644 -8.017 -16.676 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.717 -9.761 -16.519 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -30.069 -9.445 -14.388 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.098 -7.724 -14.717 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.263 -9.931 -16.478 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -32.165 -8.736 -15.566 1.00 1.51 H new ATOM 0 HE ARG A 79 -30.240 -7.636 -17.543 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.202 -9.104 -19.233 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.510 -7.936 -19.448 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.503 -5.917 -16.735 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.681 -6.131 -18.033 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.584 -10.174 -13.022 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.500 -11.400 -12.218 1.00 0.68 C ATOM 1293 C LEU A 80 -28.875 -12.078 -12.169 1.00 0.84 C ATOM 1294 O LEU A 80 -29.908 -11.403 -12.166 1.00 1.06 O ATOM 1295 CB LEU A 80 -27.021 -11.063 -10.797 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.553 -10.617 -10.778 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.098 -10.320 -9.350 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.651 -11.681 -11.401 1.00 1.26 C ATOM 0 H LEU A 80 -27.847 -9.347 -12.487 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.784 -12.083 -12.674 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.646 -10.272 -10.381 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -27.143 -11.936 -10.156 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.474 -9.705 -11.370 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.054 -10.005 -9.359 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.713 -9.524 -8.930 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.201 -11.218 -8.741 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.616 -11.341 -11.375 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.742 -12.610 -10.838 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.951 -11.853 -12.435 1.00 1.26 H new ATOM 1310 N SER A 81 -28.879 -13.412 -12.143 1.00 1.01 N ATOM 1311 CA SER A 81 -30.119 -14.208 -12.111 1.00 1.23 C ATOM 1312 C SER A 81 -30.958 -13.934 -10.850 1.00 1.40 C ATOM 1313 O SER A 81 -32.176 -14.125 -10.860 1.00 1.92 O ATOM 1314 CB SER A 81 -29.782 -15.700 -12.197 1.00 1.52 C ATOM 1315 OG SER A 81 -28.927 -15.967 -13.305 1.00 2.18 O ATOM 0 H SER A 81 -28.028 -13.975 -12.143 1.00 1.01 H new ATOM 0 HA SER A 81 -30.718 -13.911 -12.972 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.299 -16.021 -11.274 1.00 1.52 H new ATOM 0 HB3 SER A 81 -30.700 -16.279 -12.294 1.00 1.52 H new ATOM 0 HG SER A 81 -28.724 -16.925 -13.338 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.304 -13.491 -9.772 1.00 1.33 N ATOM 1322 CA ASP A 82 -30.989 -13.189 -8.507 1.00 1.76 C ATOM 1323 C ASP A 82 -31.816 -11.900 -8.643 1.00 1.31 C ATOM 1324 O ASP A 82 -33.045 -11.931 -8.585 1.00 1.74 O ATOM 1325 CB ASP A 82 -29.951 -13.049 -7.375 1.00 2.76 C ATOM 1326 CG ASP A 82 -30.598 -12.564 -6.074 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -31.683 -13.071 -5.720 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -30.020 -11.685 -5.403 1.00 3.98 O ATOM 0 H ASP A 82 -29.297 -13.332 -9.748 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.668 -14.006 -8.264 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -29.466 -14.010 -7.205 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -29.173 -12.348 -7.678 1.00 2.76 H new ATOM 1333 N GLY A 83 -31.132 -10.774 -8.813 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.794 -9.480 -8.948 1.00 1.53 C ATOM 1335 C GLY A 83 -30.790 -8.359 -8.739 1.00 1.31 C ATOM 1336 O GLY A 83 -30.717 -7.778 -7.638 1.00 1.88 O ATOM 0 H GLY A 83 -30.114 -10.731 -8.861 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -32.246 -9.395 -9.936 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -32.601 -9.397 -8.220 1.00 1.53 H new ATOM 1340 N ASN A 84 -30.019 -8.056 -9.799 1.00 0.93 N ATOM 1341 CA ASN A 84 -29.008 -7.001 -9.754 1.00 0.71 C ATOM 1342 C ASN A 84 -28.663 -6.597 -11.179 1.00 0.62 C ATOM 1343 O ASN A 84 -28.625 -7.449 -12.073 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.745 -7.495 -9.015 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.619 -6.830 -7.646 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.507 -5.611 -7.552 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.638 -7.623 -6.584 1.00 1.32 N ATOM 0 H ASN A 84 -30.083 -8.533 -10.698 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.400 -6.141 -9.211 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -27.789 -8.577 -8.895 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.860 -7.276 -9.613 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.558 -7.225 -5.648 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -27.733 -8.632 -6.702 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.423 -5.302 -11.385 1.00 0.59 N ATOM 1355 CA GLU A 85 -28.087 -4.759 -12.704 1.00 0.55 C ATOM 1356 C GLU A 85 -26.896 -3.803 -12.588 1.00 0.47 C ATOM 1357 O GLU A 85 -27.039 -2.674 -12.107 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.302 -4.020 -13.289 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.339 -5.011 -13.841 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.864 -4.580 -15.211 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.103 -3.967 -15.989 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.044 -4.856 -15.512 1.00 1.39 O ATOM 0 H GLU A 85 -28.456 -4.600 -10.645 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.817 -5.579 -13.369 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.761 -3.401 -12.518 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.976 -3.350 -14.084 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.890 -6.001 -13.919 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -31.171 -5.093 -13.142 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.726 -4.257 -13.035 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.500 -3.448 -12.988 1.00 0.31 C ATOM 1371 C TYR A 86 -24.021 -3.100 -14.404 1.00 0.29 C ATOM 1372 O TYR A 86 -24.141 -3.909 -15.328 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.378 -4.204 -12.256 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.720 -4.605 -10.835 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.863 -3.633 -9.855 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.922 -5.938 -10.515 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.206 -3.996 -8.564 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -24.260 -6.297 -9.221 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.287 -5.346 -8.231 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.751 -5.683 -6.969 1.00 0.77 O ATOM 0 H TYR A 86 -25.597 -5.186 -13.437 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.733 -2.530 -12.449 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -23.129 -5.100 -12.824 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.485 -3.579 -12.240 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.707 -2.593 -10.100 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.816 -6.698 -11.275 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.409 -3.239 -7.821 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.502 -7.324 -8.991 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.663 -4.912 -6.371 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.448 -1.904 -14.552 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.897 -1.432 -15.828 1.00 0.23 C ATOM 1392 C LEU A 87 -21.378 -1.493 -15.741 1.00 0.22 C ATOM 1393 O LEU A 87 -20.794 -1.018 -14.760 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.319 0.012 -16.125 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.836 0.178 -16.206 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.181 1.576 -16.715 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.471 -0.890 -17.099 1.00 0.38 C ATOM 0 H LEU A 87 -23.352 -1.233 -13.790 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.276 -2.066 -16.629 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.927 0.668 -15.348 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.872 0.331 -17.067 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.244 0.052 -15.203 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.264 1.686 -16.770 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.774 2.322 -16.033 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.751 1.719 -17.706 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.550 -0.741 -17.133 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.062 -0.812 -18.106 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.254 -1.879 -16.694 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.744 -2.074 -16.752 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.287 -2.200 -16.787 1.00 0.19 C ATOM 1411 C PHE A 88 -18.729 -1.506 -18.024 1.00 0.20 C ATOM 1412 O PHE A 88 -19.175 -1.761 -19.141 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.893 -3.676 -16.768 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.001 -4.279 -15.389 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.963 -4.142 -14.480 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.146 -4.969 -15.034 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.073 -4.699 -13.218 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.256 -5.527 -13.776 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.182 -5.378 -12.854 1.00 0.22 C ATOM 0 H PHE A 88 -21.217 -2.469 -17.565 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.864 -1.717 -15.906 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.533 -4.230 -17.455 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.870 -3.782 -17.129 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.070 -3.601 -14.756 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.955 -5.071 -15.742 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.261 -4.589 -12.515 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.146 -6.070 -13.495 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.254 -5.807 -11.865 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.756 -0.621 -17.813 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.126 0.137 -18.902 1.00 0.26 C ATOM 1431 C GLN A 89 -15.645 -0.233 -19.012 1.00 0.22 C ATOM 1432 O GLN A 89 -14.922 -0.281 -18.007 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.335 1.652 -18.660 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.111 2.513 -19.004 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.415 3.989 -18.741 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -17.048 4.335 -17.741 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -15.963 4.862 -19.624 1.00 1.63 N ATOM 0 H GLN A 89 -17.381 -0.407 -16.889 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.592 -0.117 -19.854 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.184 1.991 -19.254 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.595 1.810 -17.613 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.256 2.198 -18.406 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -15.839 2.371 -20.050 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -15.443 4.539 -20.440 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -16.134 5.859 -19.490 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.208 -0.488 -20.247 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.818 -0.856 -20.551 1.00 0.24 C ATOM 1448 C ALA A 90 -13.099 0.318 -21.227 1.00 0.27 C ATOM 1449 O ALA A 90 -13.743 1.251 -21.718 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.805 -2.082 -21.471 1.00 0.29 C ATOM 0 H ALA A 90 -15.809 -0.446 -21.070 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.297 -1.096 -19.624 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.775 -2.356 -21.697 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.301 -2.915 -20.974 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.330 -1.848 -22.397 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.764 0.260 -21.270 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.954 1.316 -21.904 1.00 0.44 C ATOM 1458 C LYS A 91 -10.629 0.961 -23.363 1.00 0.49 C ATOM 1459 O LYS A 91 -10.108 1.790 -24.110 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.663 1.567 -21.103 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.875 0.285 -20.810 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.037 -0.146 -19.349 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.318 -1.473 -19.064 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.974 -1.266 -18.449 1.00 2.29 N ATOM 0 H LYS A 91 -11.218 -0.505 -20.875 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.540 2.235 -21.905 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.028 2.258 -21.657 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.916 2.053 -20.161 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.218 -0.514 -21.467 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -7.819 0.446 -21.029 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -8.640 0.630 -18.695 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.097 -0.249 -19.116 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -8.931 -2.080 -18.398 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.208 -2.032 -19.994 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.526 -2.188 -18.274 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.379 -0.709 -19.095 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.079 -0.756 -17.549 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.957 -0.268 -23.769 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.718 -0.739 -25.142 1.00 0.66 C ATOM 1480 C ASP A 92 -11.859 -1.655 -25.597 1.00 0.59 C ATOM 1481 O ASP A 92 -12.523 -2.294 -24.776 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.383 -1.501 -25.221 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.892 -1.588 -26.663 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.309 -2.517 -27.385 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.084 -0.734 -27.071 1.00 1.77 O ATOM 0 H ASP A 92 -11.393 -0.963 -23.163 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.673 0.129 -25.799 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.635 -0.998 -24.608 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.507 -2.504 -24.813 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.058 -1.739 -26.915 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.098 -2.597 -27.507 1.00 0.63 C ATOM 1492 C ASP A 93 -12.701 -4.077 -27.411 1.00 0.49 C ATOM 1493 O ASP A 93 -13.564 -4.944 -27.246 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.375 -2.203 -28.974 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.096 -2.139 -29.805 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.407 -1.099 -29.760 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -11.783 -3.117 -30.510 1.00 2.13 O ATOM 0 H ASP A 93 -11.509 -1.220 -27.601 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.017 -2.450 -26.939 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.060 -2.925 -29.419 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -13.872 -1.233 -29.000 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.391 -4.364 -27.471 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.888 -5.743 -27.353 1.00 0.41 C ATOM 1504 C GLU A 94 -11.098 -6.232 -25.919 1.00 0.36 C ATOM 1505 O GLU A 94 -11.501 -7.377 -25.684 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.398 -5.812 -27.720 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.189 -5.715 -29.235 1.00 1.21 C ATOM 1508 CD GLU A 94 -9.404 -7.075 -29.891 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -8.498 -7.927 -29.823 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -10.480 -7.295 -30.476 1.00 2.59 O ATOM 0 H GLU A 94 -10.662 -3.662 -27.600 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.437 -6.382 -28.044 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.862 -5.002 -27.225 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.974 -6.746 -27.352 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.881 -4.987 -29.658 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -8.181 -5.357 -29.447 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.853 -5.327 -24.968 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.035 -5.597 -23.540 1.00 0.29 C ATOM 1519 C GLU A 95 -12.518 -5.865 -23.253 1.00 0.24 C ATOM 1520 O GLU A 95 -12.864 -6.833 -22.576 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.547 -4.388 -22.734 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.411 -4.707 -21.240 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.686 -3.467 -20.394 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.594 -2.342 -20.928 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.987 -3.618 -19.195 1.00 1.30 O ATOM 0 H GLU A 95 -10.522 -4.383 -25.168 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.458 -6.476 -23.252 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.584 -4.059 -23.123 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.244 -3.560 -22.865 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.107 -5.500 -20.968 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.408 -5.079 -21.033 1.00 0.42 H new ATOM 1532 N MET A 96 -13.381 -5.002 -23.807 1.00 0.24 N ATOM 1533 CA MET A 96 -14.843 -5.113 -23.661 1.00 0.22 C ATOM 1534 C MET A 96 -15.334 -6.481 -24.145 1.00 0.22 C ATOM 1535 O MET A 96 -16.100 -7.157 -23.457 1.00 0.23 O ATOM 1536 CB MET A 96 -15.523 -3.994 -24.465 1.00 0.26 C ATOM 1537 CG MET A 96 -17.032 -3.942 -24.218 1.00 0.39 C ATOM 1538 SD MET A 96 -17.880 -2.868 -25.391 1.00 0.94 S ATOM 1539 CE MET A 96 -18.255 -4.018 -26.727 1.00 0.77 C ATOM 0 H MET A 96 -13.086 -4.205 -24.371 1.00 0.24 H new ATOM 0 HA MET A 96 -15.101 -5.013 -22.607 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.079 -3.035 -24.197 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.335 -4.147 -25.528 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.444 -4.949 -24.287 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.220 -3.589 -23.204 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.780 -3.491 -27.524 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.328 -4.436 -27.118 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.884 -4.823 -26.348 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.880 -6.882 -25.336 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.260 -8.169 -25.935 1.00 0.28 C ATOM 1551 C ASN A 97 -14.789 -9.348 -25.066 1.00 0.26 C ATOM 1552 O ASN A 97 -15.541 -10.300 -24.841 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.668 -8.273 -27.353 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.380 -9.359 -28.164 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.591 -9.550 -28.042 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.633 -10.061 -28.999 1.00 1.24 N ATOM 0 H ASN A 97 -14.243 -6.330 -25.910 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.347 -8.217 -25.994 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.761 -7.314 -27.862 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.603 -8.499 -27.291 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.057 -10.791 -29.571 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.633 -9.872 -29.071 1.00 1.24 H new ATOM 1563 N THR A 98 -13.549 -9.273 -24.570 1.00 0.25 N ATOM 1564 CA THR A 98 -12.978 -10.329 -23.717 1.00 0.27 C ATOM 1565 C THR A 98 -13.772 -10.468 -22.403 1.00 0.23 C ATOM 1566 O THR A 98 -14.045 -11.585 -21.951 1.00 0.27 O ATOM 1567 CB THR A 98 -11.498 -10.028 -23.425 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.798 -9.784 -24.640 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.833 -11.191 -22.684 1.00 0.39 C ATOM 0 H THR A 98 -12.918 -8.491 -24.744 1.00 0.25 H new ATOM 0 HA THR A 98 -13.046 -11.277 -24.251 1.00 0.27 H new ATOM 0 HB THR A 98 -11.457 -9.141 -22.792 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.979 -8.870 -24.944 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.788 -10.950 -22.491 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.347 -11.361 -21.738 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.891 -12.092 -23.295 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.151 -9.331 -21.800 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.926 -9.329 -20.545 1.00 0.20 C ATOM 1579 C TRP A 99 -16.292 -9.990 -20.761 1.00 0.21 C ATOM 1580 O TRP A 99 -16.679 -10.897 -20.022 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.138 -7.887 -20.038 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.960 -7.309 -19.304 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.274 -6.174 -19.632 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.339 -7.823 -18.104 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.284 -5.974 -18.716 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.290 -6.955 -17.774 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.567 -8.931 -17.280 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.480 -7.163 -16.669 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.759 -9.143 -16.169 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.724 -8.268 -15.870 1.00 0.29 C ATOM 0 H TRP A 99 -13.935 -8.401 -22.159 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.362 -9.892 -19.801 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.371 -7.246 -20.888 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.006 -7.870 -19.379 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.482 -5.538 -20.480 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.627 -5.194 -18.735 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.368 -9.619 -17.507 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.677 -6.479 -16.436 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -12.938 -9.997 -15.532 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.103 -8.450 -15.006 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.015 -9.524 -21.784 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.348 -10.046 -22.125 1.00 0.24 C ATOM 1603 C ILE A 100 -18.313 -11.567 -22.350 1.00 0.28 C ATOM 1604 O ILE A 100 -19.184 -12.290 -21.868 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.883 -9.319 -23.375 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.195 -7.851 -23.048 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.134 -10.005 -23.931 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.447 -7.030 -24.314 1.00 0.29 C ATOM 0 H ILE A 100 -16.696 -8.776 -22.400 1.00 0.21 H new ATOM 0 HA ILE A 100 -19.020 -9.858 -21.287 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.106 -9.361 -24.138 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.071 -7.801 -22.401 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.363 -7.417 -22.493 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.484 -9.466 -24.811 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.894 -11.032 -24.206 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.916 -10.006 -23.172 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.664 -5.997 -24.041 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.561 -7.059 -24.949 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.295 -7.448 -24.856 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.302 -12.048 -23.077 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.154 -13.482 -23.362 1.00 0.35 C ATOM 1622 C GLN A 101 -16.867 -14.280 -22.083 1.00 0.36 C ATOM 1623 O GLN A 101 -17.461 -15.337 -21.855 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.028 -13.702 -24.375 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.474 -13.341 -25.793 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.330 -13.566 -26.777 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.651 -12.627 -27.184 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.105 -14.813 -27.149 1.00 1.76 N ATOM 0 H GLN A 101 -16.570 -11.465 -23.482 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.095 -13.839 -23.780 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.165 -13.097 -24.099 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.709 -14.744 -24.346 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.333 -13.948 -26.078 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.794 -12.300 -25.828 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.691 -15.566 -26.789 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.345 -15.023 -27.796 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.962 -13.765 -21.247 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.593 -14.425 -19.985 1.00 0.37 C ATOM 1639 C ALA A 102 -16.790 -14.494 -19.032 1.00 0.38 C ATOM 1640 O ALA A 102 -17.029 -15.512 -18.391 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.432 -13.677 -19.319 1.00 0.38 C ATOM 0 H ALA A 102 -15.468 -12.890 -21.419 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.279 -15.444 -20.212 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -14.167 -14.174 -18.386 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.570 -13.675 -19.986 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.733 -12.650 -19.111 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.542 -13.403 -18.946 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.716 -13.336 -18.075 1.00 0.38 C ATOM 1649 C ILE A 103 -19.852 -14.222 -18.615 1.00 0.47 C ATOM 1650 O ILE A 103 -20.647 -14.759 -17.844 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.168 -11.874 -17.939 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.097 -11.047 -17.211 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.505 -11.763 -17.200 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.180 -9.567 -17.577 1.00 0.35 C ATOM 0 H ILE A 103 -17.361 -12.547 -19.470 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.451 -13.716 -17.088 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.305 -11.479 -18.945 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.218 -11.163 -16.134 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.108 -11.429 -17.464 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.792 -10.714 -17.123 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.271 -12.310 -17.750 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.404 -12.186 -16.200 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.407 -9.016 -17.042 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.033 -9.449 -18.651 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.160 -9.178 -17.300 1.00 0.35 H new ATOM 1666 N SER A 104 -19.915 -14.390 -19.942 1.00 0.53 N ATOM 1667 CA SER A 104 -20.941 -15.227 -20.569 1.00 0.66 C ATOM 1668 C SER A 104 -20.747 -16.700 -20.182 1.00 0.72 C ATOM 1669 O SER A 104 -21.695 -17.365 -19.763 1.00 0.89 O ATOM 1670 CB SER A 104 -20.896 -15.058 -22.092 1.00 0.81 C ATOM 1671 OG SER A 104 -21.285 -13.737 -22.459 1.00 1.05 O ATOM 0 H SER A 104 -19.267 -13.957 -20.600 1.00 0.53 H new ATOM 0 HA SER A 104 -21.920 -14.909 -20.211 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.889 -15.262 -22.457 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.559 -15.783 -22.564 1.00 0.81 H new ATOM 0 HG SER A 104 -20.493 -13.162 -22.499 1.00 1.05 H new ATOM 1677 N SER A 105 -19.517 -17.207 -20.310 1.00 0.80 N ATOM 1678 CA SER A 105 -19.216 -18.603 -19.960 1.00 1.13 C ATOM 1679 C SER A 105 -17.718 -18.792 -19.696 1.00 1.23 C ATOM 1680 O SER A 105 -17.026 -19.469 -20.461 1.00 1.61 O ATOM 1681 CB SER A 105 -19.673 -19.545 -21.086 1.00 1.48 C ATOM 1682 OG SER A 105 -21.093 -19.543 -21.220 1.00 1.63 O ATOM 0 H SER A 105 -18.716 -16.676 -20.651 1.00 0.80 H new ATOM 0 HA SER A 105 -19.760 -18.847 -19.047 1.00 1.13 H new ATOM 0 HB2 SER A 105 -19.217 -19.238 -22.027 1.00 1.48 H new ATOM 0 HB3 SER A 105 -19.327 -20.558 -20.879 1.00 1.48 H new ATOM 0 HG SER A 105 -21.484 -18.946 -20.548 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.221 -18.179 -18.612 1.00 1.29 N ATOM 1689 CA ALA A 106 -15.798 -18.266 -18.226 1.00 1.59 C ATOM 1690 C ALA A 106 -15.353 -19.724 -18.070 1.00 2.40 C ATOM 1691 O ALA A 106 -14.347 -20.112 -18.698 1.00 3.00 O ATOM 1692 CB ALA A 106 -15.557 -17.501 -16.912 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.015 -20.481 -17.326 1.00 3.05 O ATOM 0 H ALA A 106 -17.786 -17.612 -17.980 1.00 1.29 H new ATOM 0 HA ALA A 106 -15.206 -17.813 -19.021 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -14.505 -17.572 -16.637 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -15.827 -16.454 -17.046 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -16.169 -17.935 -16.121 1.00 1.90 H new TER 1699 ALA A 106