USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1195 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 30 CYS SG : rot 8:sc= -1.08 USER MOD Set 1.2: A 70 HIS : no HD1:sc= 0.443 K(o=-0.64,f=-3.6!) USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= 0.207 USER MOD Set 2.2: A 93 THR OG1 : rot -113:sc= 1.25 USER MOD Set 2.3: A 115 ASN : amide:sc= 0.169 K(o=1.6,f=-0.14) USER MOD Set 3.1: A 8 ASN : amide:sc= 0 K(o=-0.45,f=-1.1) USER MOD Set 3.2: A 27 THR OG1 : rot 83:sc= -0.45 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 2.22 (180deg=1.82) USER MOD Single : A 5 GLN : amide:sc= -0.0623 X(o=-0.062,f=-0.035) USER MOD Single : A 7 ASN : amide:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.43! C(o=-2.4!,f=-12!) USER MOD Single : A 16 SER OG : rot -9:sc= 0.836 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.217 K(o=0.22,f=-4!) USER MOD Single : A 23 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.3!) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00395 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 134:sc= -3.1! USER MOD Single : A 50 SER OG : rot 3:sc= 0.611 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.79 K(o=-1.8,f=-10!) USER MOD Single : A 59 SER OG : rot 37:sc= 0.192 USER MOD Single : A 71 MET CE :methyl 162:sc= 0 (180deg=-0.606) USER MOD Single : A 75 GLN : amide:sc= -0.762 K(o=-0.76,f=-3!) USER MOD Single : A 80 ASN : amide:sc= -0.796 K(o=-0.8,f=-8.8!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00415 USER MOD Single : A 99 CYS SG : rot -111:sc= 1.69 USER MOD Single : A 100 THR OG1 : rot 153:sc= 1.2 USER MOD Single : A 101 TYR OH : rot -110:sc= 0.999 USER MOD Single : A 104 GLN : amide:sc= -4.46! K(o=-4.5!,f=0.12) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.166 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.05) USER MOD Single : A 117 TYR OH : rot 180:sc= -1.81 USER MOD Single : A 118 THR OG1 : rot 85:sc= 1.07 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 125 ASN : amide:sc= -2.64! K(o=-2.6!,f=-0.34) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 47:sc= 1.29 USER MOD Single : A 134 LYS NZ :NH3+ 174:sc= 0.962 (180deg=0.656) USER MOD Single : A 136 GLN : amide:sc= -1.9! K(o=-1.9!,f=-1) USER MOD Single : A 138 ASN : amide:sc= -0.0521 X(o=-0.052,f=0) USER MOD Single : A 142 SER OG : rot -20:sc= 0.121 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 THR OG1 : rot -120:sc= 0.155 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 152 ASN : amide:sc= -0.166 K(o=-0.17,f=-1!) USER MOD Single : A 156 ASN : amide:sc= -3.74! K(o=-3.7!,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -20.881 0.076 7.002 1.00 0.91 N ATOM 19 CA ALA A 2 -19.929 -0.106 5.921 1.00 0.66 C ATOM 20 C ALA A 2 -20.508 -1.018 4.855 1.00 0.57 C ATOM 21 O ALA A 2 -21.181 -1.993 5.168 1.00 0.68 O ATOM 22 CB ALA A 2 -18.622 -0.675 6.453 1.00 1.48 C ATOM 0 HA ALA A 2 -19.725 0.866 5.473 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -17.920 -0.805 5.629 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.198 0.011 7.186 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -18.810 -1.639 6.925 1.00 1.48 H new ATOM 28 N LYS A 3 -20.281 -0.682 3.597 1.00 0.46 N ATOM 29 CA LYS A 3 -20.716 -1.537 2.501 1.00 0.45 C ATOM 30 C LYS A 3 -19.540 -2.353 1.980 1.00 0.35 C ATOM 31 O LYS A 3 -19.706 -3.263 1.175 1.00 0.36 O ATOM 32 CB LYS A 3 -21.353 -0.716 1.375 1.00 0.54 C ATOM 33 CG LYS A 3 -22.757 -0.217 1.700 1.00 0.82 C ATOM 34 CD LYS A 3 -22.743 0.863 2.766 1.00 0.81 C ATOM 35 CE LYS A 3 -24.099 1.021 3.438 1.00 0.91 C ATOM 36 NZ LYS A 3 -25.180 1.337 2.473 1.00 0.98 N ATOM 0 H LYS A 3 -19.801 0.171 3.308 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.477 -2.220 2.878 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.715 0.140 1.155 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.393 -1.324 0.471 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.222 0.173 0.795 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -23.370 -1.053 2.038 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.992 0.620 3.518 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.449 1.812 2.317 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -24.347 0.101 3.968 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -24.040 1.813 4.185 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -26.027 1.649 2.990 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.865 2.095 1.835 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.408 0.488 1.917 1.00 0.98 H new ATOM 50 N VAL A 4 -18.355 -2.013 2.465 1.00 0.32 N ATOM 51 CA VAL A 4 -17.141 -2.771 2.198 1.00 0.29 C ATOM 52 C VAL A 4 -16.291 -2.808 3.460 1.00 0.33 C ATOM 53 O VAL A 4 -15.862 -1.770 3.965 1.00 0.45 O ATOM 54 CB VAL A 4 -16.318 -2.186 1.017 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.839 -2.537 1.139 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.849 -2.707 -0.309 1.00 0.27 C ATOM 0 H VAL A 4 -18.207 -1.197 3.059 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.435 -3.779 1.906 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.422 -1.102 1.054 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.293 -2.112 0.296 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.444 -2.130 2.070 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.721 -3.621 1.138 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.262 -2.288 -1.126 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.774 -3.794 -0.329 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.892 -2.413 -0.424 1.00 0.27 H new ATOM 66 N GLN A 5 -16.090 -4.002 3.986 1.00 0.30 N ATOM 67 CA GLN A 5 -15.292 -4.184 5.184 1.00 0.34 C ATOM 68 C GLN A 5 -14.141 -5.134 4.886 1.00 0.31 C ATOM 69 O GLN A 5 -14.350 -6.333 4.705 1.00 0.32 O ATOM 70 CB GLN A 5 -16.162 -4.754 6.309 1.00 0.41 C ATOM 71 CG GLN A 5 -15.862 -4.189 7.692 1.00 0.72 C ATOM 72 CD GLN A 5 -14.409 -4.323 8.104 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.004 -5.335 8.675 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.620 -3.293 7.838 1.00 1.39 N ATOM 0 H GLN A 5 -16.471 -4.865 3.599 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.892 -3.221 5.502 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -17.209 -4.564 6.073 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.033 -5.836 6.337 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.140 -3.135 7.712 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -16.487 -4.698 8.426 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.995 -2.472 7.363 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.637 -3.320 8.109 1.00 1.39 H new ATOM 83 N VAL A 6 -12.931 -4.604 4.799 1.00 0.32 N ATOM 84 CA VAL A 6 -11.773 -5.445 4.553 1.00 0.34 C ATOM 85 C VAL A 6 -11.482 -6.285 5.789 1.00 0.38 C ATOM 86 O VAL A 6 -11.614 -5.815 6.923 1.00 0.60 O ATOM 87 CB VAL A 6 -10.512 -4.636 4.155 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.832 -3.625 3.065 1.00 1.12 C ATOM 89 CG2 VAL A 6 -9.888 -3.956 5.361 1.00 1.32 C ATOM 0 H VAL A 6 -12.728 -3.609 4.894 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.015 -6.087 3.706 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.781 -5.340 3.757 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -9.929 -3.072 2.805 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -11.204 -4.146 2.183 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.592 -2.931 3.424 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.006 -3.397 5.048 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.610 -3.273 5.808 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.599 -4.709 6.094 1.00 1.32 H new ATOM 99 N ASN A 7 -11.113 -7.526 5.571 1.00 0.32 N ATOM 100 CA ASN A 7 -10.848 -8.436 6.670 1.00 0.36 C ATOM 101 C ASN A 7 -9.464 -9.034 6.536 1.00 0.37 C ATOM 102 O ASN A 7 -8.583 -8.790 7.358 1.00 0.46 O ATOM 103 CB ASN A 7 -11.894 -9.560 6.715 1.00 0.37 C ATOM 104 CG ASN A 7 -13.214 -9.127 7.331 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.414 -9.245 8.541 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.123 -8.630 6.509 1.00 0.53 N ATOM 0 H ASN A 7 -10.988 -7.932 4.644 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.906 -7.868 7.598 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.074 -9.920 5.702 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.493 -10.398 7.285 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.028 -8.328 6.871 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.920 -8.548 5.513 1.00 0.53 H new ATOM 113 N ASN A 8 -9.275 -9.803 5.483 1.00 0.33 N ATOM 114 CA ASN A 8 -8.037 -10.547 5.312 1.00 0.39 C ATOM 115 C ASN A 8 -7.143 -9.876 4.287 1.00 0.39 C ATOM 116 O ASN A 8 -7.373 -9.979 3.089 1.00 0.48 O ATOM 117 CB ASN A 8 -8.319 -12.000 4.917 1.00 0.44 C ATOM 118 CG ASN A 8 -7.048 -12.788 4.652 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.606 -12.910 3.513 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.446 -13.320 5.705 1.00 1.47 N ATOM 0 H ASN A 8 -9.957 -9.931 4.735 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.514 -10.553 6.269 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.885 -12.486 5.712 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.945 -12.016 4.025 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.585 -13.853 5.585 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.844 -13.197 6.636 1.00 1.47 H new ATOM 127 N VAL A 9 -6.142 -9.166 4.759 1.00 0.42 N ATOM 128 CA VAL A 9 -5.201 -8.524 3.867 1.00 0.45 C ATOM 129 C VAL A 9 -3.812 -9.127 4.055 1.00 0.50 C ATOM 130 O VAL A 9 -3.233 -9.068 5.139 1.00 0.60 O ATOM 131 CB VAL A 9 -5.177 -6.989 4.067 1.00 0.48 C ATOM 132 CG1 VAL A 9 -4.870 -6.615 5.513 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.186 -6.340 3.113 1.00 1.01 C ATOM 0 H VAL A 9 -5.959 -9.019 5.752 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.526 -8.704 2.842 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.173 -6.609 3.839 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -4.862 -5.530 5.614 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.634 -7.035 6.167 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -3.894 -7.013 5.792 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.184 -5.261 3.269 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.188 -6.736 3.301 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.475 -6.557 2.085 1.00 1.01 H new ATOM 143 N VAL A 10 -3.306 -9.760 3.008 1.00 0.52 N ATOM 144 CA VAL A 10 -2.005 -10.401 3.070 1.00 0.61 C ATOM 145 C VAL A 10 -1.066 -9.829 2.018 1.00 0.47 C ATOM 146 O VAL A 10 -1.501 -9.381 0.952 1.00 0.48 O ATOM 147 CB VAL A 10 -2.107 -11.935 2.900 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.877 -12.549 4.059 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.763 -12.296 1.576 1.00 1.24 C ATOM 0 H VAL A 10 -3.777 -9.843 2.107 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.600 -10.196 4.061 1.00 0.61 H new ATOM 0 HB VAL A 10 -1.096 -12.342 2.898 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.939 -13.629 3.923 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.362 -12.330 4.994 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.882 -12.129 4.091 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.822 -13.380 1.483 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.767 -11.874 1.540 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -2.171 -11.893 0.755 1.00 1.24 H new ATOM 159 N VAL A 11 0.220 -9.842 2.330 1.00 0.44 N ATOM 160 CA VAL A 11 1.231 -9.286 1.447 1.00 0.39 C ATOM 161 C VAL A 11 2.166 -10.384 0.974 1.00 0.41 C ATOM 162 O VAL A 11 2.739 -11.113 1.787 1.00 0.52 O ATOM 163 CB VAL A 11 2.064 -8.194 2.151 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.018 -7.530 1.171 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.161 -7.161 2.803 1.00 0.91 C ATOM 0 H VAL A 11 0.590 -10.235 3.196 1.00 0.44 H new ATOM 0 HA VAL A 11 0.713 -8.837 0.600 1.00 0.39 H new ATOM 0 HB VAL A 11 2.654 -8.671 2.933 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.595 -6.764 1.688 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.695 -8.278 0.759 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.448 -7.072 0.363 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.771 -6.402 3.293 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.538 -6.691 2.042 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.525 -7.648 3.542 1.00 0.91 H new ATOM 175 N LEU A 12 2.316 -10.508 -0.330 1.00 0.40 N ATOM 176 CA LEU A 12 3.179 -11.526 -0.896 1.00 0.45 C ATOM 177 C LEU A 12 4.429 -10.886 -1.446 1.00 0.57 C ATOM 178 O LEU A 12 4.483 -9.665 -1.620 1.00 1.18 O ATOM 179 CB LEU A 12 2.484 -12.305 -2.013 1.00 0.50 C ATOM 180 CG LEU A 12 1.119 -12.891 -1.667 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.051 -11.817 -1.763 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.792 -14.058 -2.584 1.00 1.16 C ATOM 0 H LEU A 12 1.851 -9.916 -1.018 1.00 0.40 H new ATOM 0 HA LEU A 12 3.429 -12.225 -0.098 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.367 -11.644 -2.872 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.139 -13.119 -2.324 1.00 0.50 H new ATOM 0 HG LEU A 12 1.146 -13.262 -0.643 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.920 -12.246 -1.514 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.281 -11.011 -1.066 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.023 -11.421 -2.778 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.185 -14.463 -2.322 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.778 -13.715 -3.618 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.549 -14.834 -2.470 1.00 1.16 H new ATOM 194 N ASP A 13 5.430 -11.715 -1.698 1.00 0.84 N ATOM 195 CA ASP A 13 6.703 -11.261 -2.231 1.00 1.01 C ATOM 196 C ASP A 13 7.367 -10.337 -1.218 1.00 0.85 C ATOM 197 O ASP A 13 8.155 -9.452 -1.545 1.00 1.01 O ATOM 198 CB ASP A 13 6.506 -10.594 -3.593 1.00 1.29 C ATOM 199 CG ASP A 13 7.222 -11.348 -4.698 1.00 2.15 C ATOM 200 OD1 ASP A 13 6.625 -12.302 -5.252 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.386 -11.023 -5.011 1.00 2.57 O ATOM 0 H ASP A 13 5.382 -12.721 -1.538 1.00 0.84 H new ATOM 0 HA ASP A 13 7.365 -12.111 -2.395 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.441 -10.540 -3.821 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.876 -9.570 -3.553 1.00 1.29 H new ATOM 206 N ASN A 14 6.981 -10.554 0.027 1.00 0.68 N ATOM 207 CA ASN A 14 7.608 -9.926 1.174 1.00 0.63 C ATOM 208 C ASN A 14 8.304 -10.977 2.044 1.00 0.57 C ATOM 209 O ASN A 14 7.685 -11.973 2.415 1.00 0.67 O ATOM 210 CB ASN A 14 6.533 -9.222 1.997 1.00 0.78 C ATOM 211 CG ASN A 14 7.051 -8.730 3.326 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.195 -8.293 3.440 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.217 -8.815 4.347 1.00 1.40 N ATOM 0 H ASN A 14 6.213 -11.180 0.272 1.00 0.68 H new ATOM 0 HA ASN A 14 8.352 -9.208 0.829 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.140 -8.379 1.429 1.00 0.78 H new ATOM 0 HB3 ASN A 14 5.702 -9.907 2.166 1.00 0.78 H new ATOM 0 HD21 ASN A 14 6.514 -8.512 5.275 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.276 -9.184 4.208 1.00 1.40 H new ATOM 220 N PRO A 15 9.595 -10.788 2.384 1.00 0.51 N ATOM 221 CA PRO A 15 10.434 -9.702 1.875 1.00 0.45 C ATOM 222 C PRO A 15 11.100 -10.064 0.555 1.00 0.44 C ATOM 223 O PRO A 15 11.521 -11.203 0.357 1.00 0.48 O ATOM 224 CB PRO A 15 11.510 -9.533 2.961 1.00 0.48 C ATOM 225 CG PRO A 15 11.203 -10.560 4.011 1.00 0.57 C ATOM 226 CD PRO A 15 10.336 -11.593 3.351 1.00 0.60 C ATOM 0 HA PRO A 15 9.850 -8.802 1.682 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.508 -9.683 2.548 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.486 -8.527 3.380 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.119 -11.009 4.395 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.690 -10.107 4.860 1.00 0.57 H new ATOM 0 HD2 PRO A 15 10.925 -12.373 2.868 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.675 -12.088 4.063 1.00 0.60 H new ATOM 234 N SER A 16 11.187 -9.103 -0.348 1.00 0.42 N ATOM 235 CA SER A 16 11.820 -9.335 -1.642 1.00 0.47 C ATOM 236 C SER A 16 12.358 -8.022 -2.220 1.00 0.45 C ATOM 237 O SER A 16 11.987 -6.942 -1.750 1.00 0.43 O ATOM 238 CB SER A 16 10.840 -10.022 -2.606 1.00 0.59 C ATOM 239 OG SER A 16 10.485 -11.320 -2.131 1.00 0.77 O ATOM 0 H SER A 16 10.830 -8.157 -0.214 1.00 0.42 H new ATOM 0 HA SER A 16 12.668 -10.005 -1.503 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.943 -9.412 -2.715 1.00 0.59 H new ATOM 0 HB3 SER A 16 11.292 -10.103 -3.594 1.00 0.59 H new ATOM 0 HG SER A 16 11.054 -11.557 -1.369 1.00 0.77 H new ATOM 245 N PRO A 17 13.264 -8.104 -3.220 1.00 0.52 N ATOM 246 CA PRO A 17 13.890 -6.930 -3.854 1.00 0.52 C ATOM 247 C PRO A 17 12.892 -5.847 -4.268 1.00 0.48 C ATOM 248 O PRO A 17 11.757 -6.137 -4.642 1.00 0.58 O ATOM 249 CB PRO A 17 14.568 -7.524 -5.086 1.00 0.60 C ATOM 250 CG PRO A 17 14.901 -8.917 -4.685 1.00 0.83 C ATOM 251 CD PRO A 17 13.771 -9.367 -3.804 1.00 0.63 C ATOM 0 HA PRO A 17 14.564 -6.421 -3.165 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.906 -7.507 -5.952 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.462 -6.963 -5.357 1.00 0.60 H new ATOM 0 HG2 PRO A 17 14.998 -9.563 -5.558 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.851 -8.955 -4.153 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.999 -9.884 -4.374 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.114 -10.057 -3.033 1.00 0.63 H new ATOM 259 N PHE A 18 13.349 -4.600 -4.213 1.00 0.41 N ATOM 260 CA PHE A 18 12.525 -3.430 -4.499 1.00 0.37 C ATOM 261 C PHE A 18 11.868 -3.497 -5.878 1.00 0.36 C ATOM 262 O PHE A 18 10.739 -3.040 -6.050 1.00 0.37 O ATOM 263 CB PHE A 18 13.380 -2.158 -4.376 1.00 0.38 C ATOM 264 CG PHE A 18 12.770 -0.944 -5.017 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.710 -0.283 -4.423 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.258 -0.477 -6.225 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.146 0.824 -5.027 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.704 0.629 -6.831 1.00 0.36 C ATOM 269 CZ PHE A 18 11.643 1.282 -6.233 1.00 0.37 C ATOM 0 H PHE A 18 14.312 -4.371 -3.966 1.00 0.41 H new ATOM 0 HA PHE A 18 11.717 -3.409 -3.767 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.553 -1.950 -3.320 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.355 -2.343 -4.828 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.320 -0.635 -3.479 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.084 -0.986 -6.699 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.317 1.332 -4.557 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.098 0.985 -7.771 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.203 2.147 -6.706 1.00 0.37 H new ATOM 279 N TYR A 19 12.557 -4.077 -6.853 1.00 0.38 N ATOM 280 CA TYR A 19 12.053 -4.093 -8.220 1.00 0.41 C ATOM 281 C TYR A 19 11.074 -5.236 -8.462 1.00 0.44 C ATOM 282 O TYR A 19 10.789 -5.586 -9.608 1.00 0.52 O ATOM 283 CB TYR A 19 13.202 -4.146 -9.227 1.00 0.45 C ATOM 284 CG TYR A 19 13.896 -2.818 -9.390 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.292 -1.782 -10.093 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.143 -2.590 -8.833 1.00 0.58 C ATOM 287 CE1 TYR A 19 13.915 -0.559 -10.236 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.771 -1.368 -8.968 1.00 0.64 C ATOM 289 CZ TYR A 19 15.154 -0.357 -9.671 1.00 0.57 C ATOM 290 OH TYR A 19 15.777 0.862 -9.804 1.00 0.65 O ATOM 0 H TYR A 19 13.458 -4.538 -6.725 1.00 0.38 H new ATOM 0 HA TYR A 19 11.505 -3.162 -8.365 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.927 -4.893 -8.905 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.817 -4.471 -10.194 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.319 -1.937 -10.535 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.632 -3.381 -8.284 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.434 0.235 -10.788 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.742 -1.205 -8.524 1.00 0.64 H new ATOM 0 HH TYR A 19 16.643 0.838 -9.346 1.00 0.65 H new ATOM 300 N ASN A 20 10.558 -5.817 -7.390 1.00 0.44 N ATOM 301 CA ASN A 20 9.435 -6.732 -7.503 1.00 0.48 C ATOM 302 C ASN A 20 8.158 -5.938 -7.234 1.00 0.42 C ATOM 303 O ASN A 20 8.210 -4.886 -6.601 1.00 0.52 O ATOM 304 CB ASN A 20 9.578 -7.927 -6.539 1.00 0.61 C ATOM 305 CG ASN A 20 8.775 -7.784 -5.255 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.595 -8.106 -5.210 1.00 2.07 O ATOM 307 ND2 ASN A 20 9.411 -7.324 -4.196 1.00 0.69 N ATOM 0 H ASN A 20 10.896 -5.672 -6.439 1.00 0.44 H new ATOM 0 HA ASN A 20 9.401 -7.159 -8.505 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.264 -8.835 -7.053 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.631 -8.052 -6.285 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.919 -7.228 -3.307 1.00 0.69 H new ATOM 0 HD22 ASN A 20 10.395 -7.064 -4.265 1.00 0.69 H new ATOM 314 N PRO A 21 7.005 -6.396 -7.717 1.00 0.41 N ATOM 315 CA PRO A 21 5.760 -5.653 -7.580 1.00 0.38 C ATOM 316 C PRO A 21 5.156 -5.770 -6.183 1.00 0.35 C ATOM 317 O PRO A 21 5.177 -6.838 -5.576 1.00 0.42 O ATOM 318 CB PRO A 21 4.829 -6.298 -8.619 1.00 0.44 C ATOM 319 CG PRO A 21 5.621 -7.376 -9.290 1.00 0.62 C ATOM 320 CD PRO A 21 6.803 -7.665 -8.408 1.00 0.57 C ATOM 0 HA PRO A 21 5.915 -4.585 -7.734 1.00 0.38 H new ATOM 0 HB2 PRO A 21 3.941 -6.710 -8.141 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.487 -5.560 -9.344 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.015 -8.271 -9.428 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.947 -7.056 -10.280 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.599 -8.478 -7.711 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.680 -7.955 -8.988 1.00 0.57 H new ATOM 328 N PHE A 22 4.645 -4.656 -5.667 1.00 0.33 N ATOM 329 CA PHE A 22 3.878 -4.672 -4.431 1.00 0.34 C ATOM 330 C PHE A 22 2.662 -5.567 -4.615 1.00 0.33 C ATOM 331 O PHE A 22 1.677 -5.185 -5.247 1.00 0.41 O ATOM 332 CB PHE A 22 3.447 -3.261 -4.021 1.00 0.37 C ATOM 333 CG PHE A 22 4.535 -2.460 -3.364 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.793 -2.586 -2.009 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.302 -1.580 -4.109 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.796 -1.847 -1.410 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.305 -0.839 -3.516 1.00 0.57 C ATOM 338 CZ PHE A 22 6.544 -0.985 -2.134 1.00 0.58 C ATOM 0 H PHE A 22 4.749 -3.732 -6.087 1.00 0.33 H new ATOM 0 HA PHE A 22 4.508 -5.063 -3.632 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.099 -2.727 -4.905 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.600 -3.334 -3.339 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.204 -3.269 -1.414 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.113 -1.472 -5.167 1.00 0.49 H new ATOM 0 HE1 PHE A 22 5.984 -1.960 -0.352 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.900 -0.155 -4.104 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.323 -0.410 -1.655 1.00 0.58 H new ATOM 348 N GLN A 23 2.771 -6.768 -4.087 1.00 0.31 N ATOM 349 CA GLN A 23 1.804 -7.817 -4.316 1.00 0.34 C ATOM 350 C GLN A 23 0.903 -7.997 -3.099 1.00 0.33 C ATOM 351 O GLN A 23 1.304 -8.574 -2.086 1.00 0.38 O ATOM 352 CB GLN A 23 2.574 -9.095 -4.661 1.00 0.45 C ATOM 353 CG GLN A 23 1.731 -10.345 -4.779 1.00 0.97 C ATOM 354 CD GLN A 23 2.473 -11.465 -5.489 1.00 0.90 C ATOM 355 OE1 GLN A 23 2.247 -12.644 -5.226 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.369 -11.100 -6.395 1.00 1.13 N ATOM 0 H GLN A 23 3.543 -7.045 -3.480 1.00 0.31 H new ATOM 0 HA GLN A 23 1.145 -7.560 -5.145 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.099 -8.940 -5.604 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.334 -9.260 -3.897 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.436 -10.679 -3.784 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.815 -10.115 -5.323 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.528 -10.111 -6.585 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.899 -11.809 -6.902 1.00 1.13 H new ATOM 365 N PHE A 24 -0.306 -7.464 -3.194 1.00 0.31 N ATOM 366 CA PHE A 24 -1.270 -7.541 -2.108 1.00 0.33 C ATOM 367 C PHE A 24 -2.465 -8.393 -2.499 1.00 0.36 C ATOM 368 O PHE A 24 -2.974 -8.284 -3.610 1.00 0.50 O ATOM 369 CB PHE A 24 -1.777 -6.146 -1.738 1.00 0.31 C ATOM 370 CG PHE A 24 -0.732 -5.225 -1.183 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.398 -5.274 0.157 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.102 -4.299 -1.995 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.546 -4.412 0.681 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.846 -3.439 -1.481 1.00 0.32 C ATOM 375 CZ PHE A 24 1.171 -3.492 -0.141 1.00 0.30 C ATOM 0 H PHE A 24 -0.644 -6.970 -4.020 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.761 -7.992 -1.256 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.213 -5.686 -2.625 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.578 -6.248 -1.005 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.880 -5.994 0.802 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.355 -4.249 -3.044 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.795 -4.457 1.731 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.334 -2.724 -2.127 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.911 -2.818 0.264 1.00 0.30 H new ATOM 385 N GLU A 25 -2.916 -9.224 -1.581 1.00 0.31 N ATOM 386 CA GLU A 25 -4.166 -9.942 -1.761 1.00 0.34 C ATOM 387 C GLU A 25 -5.171 -9.432 -0.747 1.00 0.32 C ATOM 388 O GLU A 25 -5.108 -9.757 0.441 1.00 0.35 O ATOM 389 CB GLU A 25 -3.987 -11.455 -1.644 1.00 0.43 C ATOM 390 CG GLU A 25 -3.254 -12.066 -2.825 1.00 0.97 C ATOM 391 CD GLU A 25 -3.316 -13.577 -2.835 1.00 1.43 C ATOM 392 OE1 GLU A 25 -2.444 -14.221 -2.219 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.232 -14.135 -3.473 1.00 1.98 O ATOM 0 H GLU A 25 -2.437 -9.420 -0.702 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.532 -9.757 -2.771 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.438 -11.679 -0.729 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -4.967 -11.924 -1.551 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.683 -11.683 -3.751 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -2.211 -11.750 -2.803 1.00 0.97 H new ATOM 400 N ILE A 26 -6.072 -8.602 -1.227 1.00 0.30 N ATOM 401 CA ILE A 26 -6.994 -7.888 -0.365 1.00 0.30 C ATOM 402 C ILE A 26 -8.354 -8.569 -0.317 1.00 0.29 C ATOM 403 O ILE A 26 -9.082 -8.605 -1.312 1.00 0.32 O ATOM 404 CB ILE A 26 -7.169 -6.436 -0.849 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.807 -5.746 -0.961 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.083 -5.668 0.096 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.851 -4.428 -1.706 1.00 0.29 C ATOM 0 H ILE A 26 -6.187 -8.403 -2.221 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.569 -7.891 0.639 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.631 -6.450 -1.836 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.413 -5.574 0.041 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.111 -6.416 -1.466 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.197 -4.644 -0.260 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.060 -6.151 0.130 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.648 -5.659 1.095 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.850 -3.998 -1.745 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.214 -4.595 -2.720 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.521 -3.740 -1.190 1.00 0.29 H new ATOM 419 N THR A 27 -8.685 -9.121 0.837 1.00 0.31 N ATOM 420 CA THR A 27 -9.986 -9.723 1.045 1.00 0.30 C ATOM 421 C THR A 27 -10.911 -8.744 1.761 1.00 0.27 C ATOM 422 O THR A 27 -10.774 -8.502 2.970 1.00 0.29 O ATOM 423 CB THR A 27 -9.872 -11.012 1.878 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.795 -11.816 1.387 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.162 -11.814 1.829 1.00 0.34 C ATOM 0 H THR A 27 -8.066 -9.164 1.647 1.00 0.31 H new ATOM 0 HA THR A 27 -10.399 -9.971 0.067 1.00 0.30 H new ATOM 0 HB THR A 27 -9.680 -10.728 2.913 1.00 0.36 H new ATOM 0 HG1 THR A 27 -7.950 -11.499 1.768 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.051 -12.719 2.427 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.979 -11.213 2.228 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.382 -12.086 0.797 1.00 0.34 H new ATOM 433 N PHE A 28 -11.854 -8.193 1.010 1.00 0.23 N ATOM 434 CA PHE A 28 -12.803 -7.235 1.538 1.00 0.22 C ATOM 435 C PHE A 28 -14.214 -7.758 1.344 1.00 0.21 C ATOM 436 O PHE A 28 -14.551 -8.293 0.288 1.00 0.20 O ATOM 437 CB PHE A 28 -12.639 -5.877 0.847 1.00 0.21 C ATOM 438 CG PHE A 28 -12.928 -5.892 -0.631 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.015 -6.433 -1.522 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.116 -5.376 -1.126 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.280 -6.458 -2.877 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.384 -5.399 -2.479 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.459 -5.903 -3.358 1.00 0.28 C ATOM 0 H PHE A 28 -11.979 -8.400 0.019 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.614 -7.099 2.603 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.301 -5.156 1.327 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.619 -5.525 1.002 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.085 -6.840 -1.152 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.839 -4.952 -0.445 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.574 -6.907 -3.560 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.325 -5.019 -2.848 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.647 -5.868 -4.421 1.00 0.28 H new ATOM 453 N GLU A 29 -15.033 -7.621 2.359 1.00 0.22 N ATOM 454 CA GLU A 29 -16.374 -8.138 2.299 1.00 0.23 C ATOM 455 C GLU A 29 -17.361 -7.015 2.065 1.00 0.25 C ATOM 456 O GLU A 29 -17.542 -6.136 2.910 1.00 0.29 O ATOM 457 CB GLU A 29 -16.686 -8.899 3.581 1.00 0.26 C ATOM 458 CG GLU A 29 -18.065 -9.527 3.612 1.00 0.33 C ATOM 459 CD GLU A 29 -18.182 -10.559 4.708 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.100 -10.187 5.896 1.00 0.77 O ATOM 461 OE2 GLU A 29 -18.324 -11.755 4.387 1.00 0.67 O ATOM 0 H GLU A 29 -14.792 -7.156 3.234 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.460 -8.830 1.461 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.940 -9.682 3.716 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.590 -8.218 4.427 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.816 -8.751 3.761 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.275 -9.993 2.649 1.00 0.33 H new ATOM 468 N CYS A 30 -17.968 -7.029 0.894 1.00 0.24 N ATOM 469 CA CYS A 30 -18.987 -6.066 0.562 1.00 0.28 C ATOM 470 C CYS A 30 -20.266 -6.432 1.289 1.00 0.33 C ATOM 471 O CYS A 30 -20.979 -7.349 0.889 1.00 0.35 O ATOM 472 CB CYS A 30 -19.224 -6.031 -0.945 1.00 0.29 C ATOM 473 SG CYS A 30 -17.735 -5.723 -1.920 1.00 0.51 S ATOM 0 H CYS A 30 -17.768 -7.704 0.156 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.661 -5.074 0.873 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.658 -6.981 -1.256 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -19.958 -5.257 -1.168 1.00 0.29 H new ATOM 0 HG CYS A 30 -16.694 -5.747 -1.142 1.00 0.51 H new ATOM 479 N ILE A 31 -20.520 -5.734 2.381 1.00 0.39 N ATOM 480 CA ILE A 31 -21.702 -5.966 3.195 1.00 0.45 C ATOM 481 C ILE A 31 -22.960 -5.662 2.388 1.00 0.48 C ATOM 482 O ILE A 31 -24.033 -6.215 2.636 1.00 0.53 O ATOM 483 CB ILE A 31 -21.667 -5.080 4.459 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.362 -5.324 5.239 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.890 -5.333 5.333 1.00 0.57 C ATOM 486 CD1 ILE A 31 -20.255 -4.540 6.533 1.00 0.52 C ATOM 0 H ILE A 31 -19.914 -4.991 2.729 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.714 -7.013 3.498 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.693 -4.034 4.155 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.280 -6.387 5.464 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.517 -5.067 4.601 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.843 -4.698 6.217 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.794 -5.104 4.769 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.909 -6.379 5.639 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -19.307 -4.769 7.020 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -20.303 -3.473 6.317 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -21.078 -4.814 7.193 1.00 0.52 H new ATOM 498 N GLU A 32 -22.801 -4.794 1.405 1.00 0.49 N ATOM 499 CA GLU A 32 -23.900 -4.367 0.565 1.00 0.53 C ATOM 500 C GLU A 32 -23.359 -4.090 -0.834 1.00 0.52 C ATOM 501 O GLU A 32 -22.182 -3.761 -0.978 1.00 0.51 O ATOM 502 CB GLU A 32 -24.528 -3.112 1.166 1.00 0.60 C ATOM 503 CG GLU A 32 -25.959 -2.862 0.739 1.00 0.84 C ATOM 504 CD GLU A 32 -26.516 -1.602 1.362 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.216 -0.501 0.857 1.00 1.53 O ATOM 506 OE2 GLU A 32 -27.279 -1.706 2.343 1.00 1.83 O ATOM 0 H GLU A 32 -21.906 -4.367 1.168 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.666 -5.140 0.503 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -24.494 -3.188 2.253 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -23.923 -2.249 0.888 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -26.006 -2.783 -0.347 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -26.578 -3.713 1.024 1.00 0.84 H new ATOM 513 N ASP A 33 -24.189 -4.242 -1.858 1.00 0.62 N ATOM 514 CA ASP A 33 -23.726 -4.030 -3.226 1.00 0.65 C ATOM 515 C ASP A 33 -23.543 -2.543 -3.501 1.00 0.65 C ATOM 516 O ASP A 33 -24.330 -1.707 -3.049 1.00 0.79 O ATOM 517 CB ASP A 33 -24.675 -4.661 -4.256 1.00 0.76 C ATOM 518 CG ASP A 33 -26.045 -4.016 -4.297 1.00 1.44 C ATOM 519 OD1 ASP A 33 -26.913 -4.406 -3.488 1.00 2.18 O ATOM 520 OD2 ASP A 33 -26.278 -3.147 -5.165 1.00 2.01 O ATOM 0 H ASP A 33 -25.170 -4.507 -1.772 1.00 0.62 H new ATOM 0 HA ASP A 33 -22.761 -4.527 -3.328 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -24.221 -4.593 -5.245 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -24.789 -5.721 -4.030 1.00 0.76 H new ATOM 525 N LEU A 34 -22.486 -2.219 -4.229 1.00 0.57 N ATOM 526 CA LEU A 34 -22.142 -0.832 -4.493 1.00 0.57 C ATOM 527 C LEU A 34 -22.629 -0.425 -5.876 1.00 0.64 C ATOM 528 O LEU A 34 -22.495 -1.185 -6.834 1.00 0.71 O ATOM 529 CB LEU A 34 -20.623 -0.629 -4.407 1.00 0.55 C ATOM 530 CG LEU A 34 -19.921 -1.347 -3.248 1.00 0.81 C ATOM 531 CD1 LEU A 34 -18.450 -0.976 -3.209 1.00 1.52 C ATOM 532 CD2 LEU A 34 -20.585 -1.025 -1.919 1.00 1.41 C ATOM 0 H LEU A 34 -21.851 -2.899 -4.648 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.627 -0.210 -3.741 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.176 -0.966 -5.343 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.422 0.439 -4.324 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.008 -2.421 -3.415 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -17.966 -1.494 -2.381 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -17.976 -1.268 -4.146 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -18.350 0.101 -3.072 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -20.065 -1.548 -1.116 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -20.540 0.049 -1.741 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -21.627 -1.345 -1.946 1.00 1.41 H new ATOM 544 N SER A 35 -23.215 0.755 -5.976 1.00 0.75 N ATOM 545 CA SER A 35 -23.599 1.302 -7.267 1.00 0.89 C ATOM 546 C SER A 35 -22.480 2.182 -7.810 1.00 0.75 C ATOM 547 O SER A 35 -22.404 2.454 -9.008 1.00 0.92 O ATOM 548 CB SER A 35 -24.902 2.096 -7.133 1.00 1.14 C ATOM 549 OG SER A 35 -24.913 2.859 -5.935 1.00 1.55 O ATOM 0 H SER A 35 -23.436 1.353 -5.180 1.00 0.75 H new ATOM 0 HA SER A 35 -23.767 0.486 -7.969 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.018 2.758 -7.991 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.751 1.412 -7.141 1.00 1.14 H new ATOM 0 HG SER A 35 -25.754 3.358 -5.873 1.00 1.55 H new ATOM 555 N GLU A 36 -21.608 2.612 -6.910 1.00 0.61 N ATOM 556 CA GLU A 36 -20.477 3.448 -7.266 1.00 0.51 C ATOM 557 C GLU A 36 -19.229 2.597 -7.450 1.00 0.44 C ATOM 558 O GLU A 36 -19.265 1.376 -7.276 1.00 0.53 O ATOM 559 CB GLU A 36 -20.219 4.506 -6.182 1.00 0.63 C ATOM 560 CG GLU A 36 -21.315 5.555 -6.040 1.00 1.48 C ATOM 561 CD GLU A 36 -22.648 4.978 -5.614 1.00 2.16 C ATOM 562 OE1 GLU A 36 -22.683 4.234 -4.616 1.00 2.95 O ATOM 563 OE2 GLU A 36 -23.670 5.270 -6.275 1.00 2.46 O ATOM 0 H GLU A 36 -21.666 2.391 -5.916 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.712 3.953 -8.203 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.092 4.001 -5.224 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.279 5.011 -6.403 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.001 6.301 -5.311 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -21.439 6.072 -6.992 1.00 1.48 H new ATOM 570 N ASP A 37 -18.132 3.245 -7.801 1.00 0.37 N ATOM 571 CA ASP A 37 -16.855 2.570 -7.947 1.00 0.36 C ATOM 572 C ASP A 37 -16.098 2.596 -6.627 1.00 0.35 C ATOM 573 O ASP A 37 -16.197 3.558 -5.860 1.00 0.50 O ATOM 574 CB ASP A 37 -16.011 3.231 -9.042 1.00 0.49 C ATOM 575 CG ASP A 37 -15.705 4.688 -8.745 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.535 5.559 -9.079 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.627 4.969 -8.174 1.00 1.88 O ATOM 0 H ASP A 37 -18.101 4.247 -7.992 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.046 1.536 -8.234 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.076 2.683 -9.155 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.538 3.161 -9.994 1.00 0.49 H new ATOM 582 N LEU A 38 -15.368 1.530 -6.355 1.00 0.30 N ATOM 583 CA LEU A 38 -14.524 1.468 -5.173 1.00 0.31 C ATOM 584 C LEU A 38 -13.082 1.733 -5.586 1.00 0.28 C ATOM 585 O LEU A 38 -12.526 1.009 -6.415 1.00 0.29 O ATOM 586 CB LEU A 38 -14.647 0.093 -4.495 1.00 0.39 C ATOM 587 CG LEU A 38 -14.390 0.058 -2.976 1.00 0.42 C ATOM 588 CD1 LEU A 38 -12.985 0.526 -2.633 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.421 0.899 -2.243 1.00 1.32 C ATOM 0 H LEU A 38 -15.342 0.693 -6.937 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.843 2.224 -4.455 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.649 -0.293 -4.682 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.948 -0.590 -4.977 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.482 -0.978 -2.651 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.842 0.487 -1.553 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.257 -0.123 -3.119 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.848 1.550 -2.981 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.225 0.863 -1.171 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.361 1.931 -2.589 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.418 0.507 -2.442 1.00 1.32 H new ATOM 601 N GLU A 39 -12.497 2.781 -5.026 1.00 0.30 N ATOM 602 CA GLU A 39 -11.125 3.144 -5.341 1.00 0.32 C ATOM 603 C GLU A 39 -10.146 2.442 -4.412 1.00 0.31 C ATOM 604 O GLU A 39 -10.140 2.692 -3.207 1.00 0.43 O ATOM 605 CB GLU A 39 -10.935 4.658 -5.229 1.00 0.42 C ATOM 606 CG GLU A 39 -9.524 5.123 -5.559 1.00 0.50 C ATOM 607 CD GLU A 39 -9.348 6.616 -5.390 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.624 7.367 -6.348 1.00 0.92 O ATOM 609 OE2 GLU A 39 -8.933 7.049 -4.296 1.00 0.73 O ATOM 0 H GLU A 39 -12.952 3.395 -4.351 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.925 2.828 -6.365 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.638 5.154 -5.899 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.184 4.973 -4.216 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.814 4.602 -4.916 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.286 4.847 -6.586 1.00 0.50 H new ATOM 616 N TRP A 40 -9.342 1.555 -4.970 1.00 0.24 N ATOM 617 CA TRP A 40 -8.229 0.970 -4.241 1.00 0.23 C ATOM 618 C TRP A 40 -6.946 1.547 -4.806 1.00 0.24 C ATOM 619 O TRP A 40 -6.616 1.307 -5.960 1.00 0.28 O ATOM 620 CB TRP A 40 -8.208 -0.555 -4.385 1.00 0.24 C ATOM 621 CG TRP A 40 -9.465 -1.235 -3.946 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.581 -1.464 -4.695 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.725 -1.793 -2.658 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.525 -2.120 -3.946 1.00 0.27 N ATOM 625 CE2 TRP A 40 -11.022 -2.331 -2.691 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.987 -1.884 -1.478 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.594 -2.954 -1.590 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.556 -2.504 -0.385 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.851 -3.030 -0.446 1.00 0.40 C ATOM 0 H TRP A 40 -9.439 1.222 -5.929 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.332 1.202 -3.181 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.019 -0.806 -5.429 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.374 -0.951 -3.806 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.704 -1.172 -5.727 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.449 -2.404 -4.271 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.988 -1.477 -1.421 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.592 -3.364 -1.636 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.993 -2.585 0.533 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -11.271 -3.505 0.428 1.00 0.40 H new ATOM 640 N LYS A 41 -6.236 2.329 -4.026 1.00 0.25 N ATOM 641 CA LYS A 41 -5.044 2.979 -4.536 1.00 0.25 C ATOM 642 C LYS A 41 -3.847 2.697 -3.640 1.00 0.23 C ATOM 643 O LYS A 41 -3.973 2.676 -2.418 1.00 0.27 O ATOM 644 CB LYS A 41 -5.289 4.484 -4.653 1.00 0.37 C ATOM 645 CG LYS A 41 -4.228 5.220 -5.451 1.00 0.63 C ATOM 646 CD LYS A 41 -4.642 6.653 -5.738 1.00 0.65 C ATOM 647 CE LYS A 41 -4.762 7.436 -4.466 1.00 1.03 C ATOM 648 NZ LYS A 41 -5.172 8.845 -4.699 1.00 1.23 N ATOM 0 H LYS A 41 -6.455 2.531 -3.050 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.820 2.578 -5.525 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.260 4.649 -5.120 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.339 4.913 -3.652 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.288 5.215 -4.900 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.049 4.697 -6.390 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -3.909 7.124 -6.393 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -5.595 6.662 -6.267 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.489 6.953 -3.814 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -3.806 7.421 -3.943 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -5.240 9.342 -3.788 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -4.466 9.317 -5.299 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -6.097 8.863 -5.173 1.00 1.23 H new ATOM 662 N ILE A 42 -2.688 2.484 -4.250 1.00 0.22 N ATOM 663 CA ILE A 42 -1.469 2.249 -3.493 1.00 0.24 C ATOM 664 C ILE A 42 -0.626 3.508 -3.486 1.00 0.25 C ATOM 665 O ILE A 42 0.013 3.856 -4.486 1.00 0.31 O ATOM 666 CB ILE A 42 -0.613 1.088 -4.058 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.391 -0.231 -4.050 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.671 0.948 -3.251 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.557 -1.434 -4.448 1.00 0.46 C ATOM 0 H ILE A 42 -2.568 2.469 -5.263 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.779 1.971 -2.486 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.363 1.322 -5.093 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.798 -0.396 -3.052 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.239 -0.147 -4.730 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.267 0.130 -3.655 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.241 1.875 -3.310 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.425 0.739 -2.210 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.175 -2.331 -4.419 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.171 -1.291 -5.457 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.276 -1.545 -3.754 1.00 0.46 H new ATOM 681 N ILE A 43 -0.664 4.205 -2.369 1.00 0.24 N ATOM 682 CA ILE A 43 0.141 5.390 -2.184 1.00 0.27 C ATOM 683 C ILE A 43 1.385 5.024 -1.398 1.00 0.26 C ATOM 684 O ILE A 43 1.322 4.744 -0.200 1.00 0.30 O ATOM 685 CB ILE A 43 -0.631 6.501 -1.440 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.941 6.824 -2.162 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.230 7.751 -1.308 1.00 0.39 C ATOM 688 CD1 ILE A 43 -2.798 7.847 -1.444 1.00 0.69 C ATOM 0 H ILE A 43 -1.251 3.966 -1.570 1.00 0.24 H new ATOM 0 HA ILE A 43 0.408 5.776 -3.168 1.00 0.27 H new ATOM 0 HB ILE A 43 -0.872 6.141 -0.440 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -1.713 7.193 -3.162 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.514 5.905 -2.284 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.329 8.524 -0.781 1.00 0.39 H new ATOM 0 HG22 ILE A 43 1.134 7.512 -0.748 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.502 8.112 -2.300 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.709 8.024 -2.016 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.058 7.473 -0.454 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.244 8.781 -1.345 1.00 0.69 H new ATOM 700 N TYR A 44 2.507 4.987 -2.082 1.00 0.29 N ATOM 701 CA TYR A 44 3.770 4.695 -1.444 1.00 0.29 C ATOM 702 C TYR A 44 4.414 6.004 -1.022 1.00 0.28 C ATOM 703 O TYR A 44 4.511 6.935 -1.826 1.00 0.33 O ATOM 704 CB TYR A 44 4.681 3.911 -2.400 1.00 0.32 C ATOM 705 CG TYR A 44 6.022 3.528 -1.810 1.00 0.34 C ATOM 706 CD1 TYR A 44 6.141 2.454 -0.936 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.168 4.248 -2.120 1.00 0.38 C ATOM 708 CE1 TYR A 44 7.364 2.110 -0.390 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.394 3.910 -1.578 1.00 0.45 C ATOM 710 CZ TYR A 44 8.487 2.809 -0.738 1.00 0.49 C ATOM 711 OH TYR A 44 9.705 2.499 -0.175 1.00 0.59 O ATOM 0 H TYR A 44 2.570 5.157 -3.086 1.00 0.29 H new ATOM 0 HA TYR A 44 3.610 4.074 -0.562 1.00 0.29 H new ATOM 0 HB2 TYR A 44 4.164 3.005 -2.715 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.849 4.509 -3.295 1.00 0.32 H new ATOM 0 HD1 TYR A 44 5.264 1.879 -0.679 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.100 5.087 -2.797 1.00 0.38 H new ATOM 0 HE1 TYR A 44 7.432 1.291 0.310 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.271 4.497 -1.806 1.00 0.45 H new ATOM 0 HH TYR A 44 10.394 3.095 -0.537 1.00 0.59 H new ATOM 721 N VAL A 45 4.804 6.089 0.246 1.00 0.27 N ATOM 722 CA VAL A 45 5.464 7.279 0.765 1.00 0.28 C ATOM 723 C VAL A 45 6.665 7.618 -0.099 1.00 0.30 C ATOM 724 O VAL A 45 7.619 6.850 -0.173 1.00 0.36 O ATOM 725 CB VAL A 45 5.926 7.091 2.228 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.712 8.299 2.711 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.741 6.840 3.141 1.00 0.34 C ATOM 0 H VAL A 45 4.674 5.346 0.933 1.00 0.27 H new ATOM 0 HA VAL A 45 4.739 8.093 0.741 1.00 0.28 H new ATOM 0 HB VAL A 45 6.580 6.219 2.259 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.025 8.141 3.743 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.592 8.436 2.082 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.084 9.188 2.655 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.092 6.711 4.165 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.060 7.690 3.095 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.219 5.939 2.820 1.00 0.34 H new ATOM 737 N GLY A 46 6.592 8.744 -0.780 1.00 0.32 N ATOM 738 CA GLY A 46 7.678 9.148 -1.635 1.00 0.39 C ATOM 739 C GLY A 46 8.921 9.459 -0.844 1.00 0.41 C ATOM 740 O GLY A 46 9.997 8.986 -1.171 1.00 0.47 O ATOM 0 H GLY A 46 5.800 9.386 -0.756 1.00 0.32 H new ATOM 0 HA2 GLY A 46 7.891 8.355 -2.352 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.382 10.026 -2.209 1.00 0.39 H new ATOM 744 N SER A 47 8.762 10.248 0.208 1.00 0.43 N ATOM 745 CA SER A 47 9.874 10.632 1.051 1.00 0.48 C ATOM 746 C SER A 47 9.448 10.688 2.512 1.00 0.51 C ATOM 747 O SER A 47 8.383 11.208 2.833 1.00 0.49 O ATOM 748 CB SER A 47 10.399 11.997 0.600 1.00 0.53 C ATOM 749 OG SER A 47 11.408 12.487 1.465 1.00 1.23 O ATOM 0 H SER A 47 7.864 10.635 0.496 1.00 0.43 H new ATOM 0 HA SER A 47 10.665 9.888 0.959 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.796 11.917 -0.412 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.575 12.709 0.564 1.00 0.53 H new ATOM 0 HG SER A 47 12.158 12.826 0.933 1.00 1.23 H new ATOM 755 N ALA A 48 10.268 10.129 3.391 1.00 0.62 N ATOM 756 CA ALA A 48 10.055 10.279 4.825 1.00 0.70 C ATOM 757 C ALA A 48 10.545 11.647 5.272 1.00 0.75 C ATOM 758 O ALA A 48 10.130 12.171 6.305 1.00 0.82 O ATOM 759 CB ALA A 48 10.763 9.178 5.598 1.00 0.81 C ATOM 0 H ALA A 48 11.083 9.570 3.139 1.00 0.62 H new ATOM 0 HA ALA A 48 8.988 10.196 5.032 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.588 9.313 6.665 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.376 8.208 5.287 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.833 9.223 5.397 1.00 0.81 H new ATOM 765 N GLU A 49 11.436 12.216 4.468 1.00 0.75 N ATOM 766 CA GLU A 49 11.940 13.564 4.688 1.00 0.83 C ATOM 767 C GLU A 49 10.801 14.560 4.486 1.00 0.82 C ATOM 768 O GLU A 49 10.691 15.560 5.197 1.00 0.93 O ATOM 769 CB GLU A 49 13.097 13.830 3.718 1.00 0.90 C ATOM 770 CG GLU A 49 13.791 15.168 3.896 1.00 1.06 C ATOM 771 CD GLU A 49 14.972 15.320 2.960 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.079 14.850 3.304 1.00 1.99 O ATOM 773 OE2 GLU A 49 14.800 15.891 1.862 1.00 1.96 O ATOM 0 H GLU A 49 11.828 11.755 3.647 1.00 0.75 H new ATOM 0 HA GLU A 49 12.315 13.675 5.705 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.836 13.037 3.832 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.717 13.768 2.698 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.079 15.973 3.716 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.130 15.267 4.927 1.00 1.06 H new ATOM 780 N SER A 50 9.952 14.265 3.509 1.00 0.74 N ATOM 781 CA SER A 50 8.717 15.001 3.299 1.00 0.79 C ATOM 782 C SER A 50 7.709 14.100 2.605 1.00 0.75 C ATOM 783 O SER A 50 7.905 13.708 1.456 1.00 1.26 O ATOM 784 CB SER A 50 8.965 16.268 2.476 1.00 0.96 C ATOM 785 OG SER A 50 9.811 17.173 3.165 1.00 1.72 O ATOM 0 H SER A 50 10.103 13.509 2.842 1.00 0.74 H new ATOM 0 HA SER A 50 8.320 15.310 4.266 1.00 0.79 H new ATOM 0 HB2 SER A 50 9.416 16.001 1.520 1.00 0.96 H new ATOM 0 HB3 SER A 50 8.014 16.753 2.255 1.00 0.96 H new ATOM 0 HG SER A 50 10.094 16.774 4.015 1.00 1.72 H new ATOM 791 N GLU A 51 6.630 13.768 3.296 1.00 0.78 N ATOM 792 CA GLU A 51 5.664 12.806 2.779 1.00 0.71 C ATOM 793 C GLU A 51 4.877 13.386 1.604 1.00 0.74 C ATOM 794 O GLU A 51 4.074 12.696 0.983 1.00 0.80 O ATOM 795 CB GLU A 51 4.705 12.359 3.886 1.00 0.85 C ATOM 796 CG GLU A 51 5.378 11.577 5.000 1.00 1.46 C ATOM 797 CD GLU A 51 4.431 11.253 6.138 1.00 1.68 C ATOM 798 OE1 GLU A 51 3.522 10.421 5.938 1.00 2.09 O ATOM 799 OE2 GLU A 51 4.594 11.824 7.241 1.00 2.02 O ATOM 0 H GLU A 51 6.400 14.148 4.214 1.00 0.78 H new ATOM 0 HA GLU A 51 6.219 11.939 2.421 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.222 13.238 4.312 1.00 0.85 H new ATOM 0 HB3 GLU A 51 3.919 11.745 3.447 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.784 10.650 4.595 1.00 1.46 H new ATOM 0 HG3 GLU A 51 6.220 12.152 5.385 1.00 1.46 H new ATOM 806 N GLU A 52 5.130 14.655 1.295 1.00 0.78 N ATOM 807 CA GLU A 52 4.496 15.323 0.163 1.00 0.89 C ATOM 808 C GLU A 52 5.044 14.787 -1.158 1.00 0.78 C ATOM 809 O GLU A 52 4.548 15.121 -2.233 1.00 0.85 O ATOM 810 CB GLU A 52 4.727 16.828 0.240 1.00 1.09 C ATOM 811 CG GLU A 52 4.197 17.456 1.515 1.00 1.70 C ATOM 812 CD GLU A 52 2.721 17.191 1.716 1.00 2.16 C ATOM 813 OE1 GLU A 52 1.906 17.730 0.939 1.00 2.43 O ATOM 814 OE2 GLU A 52 2.368 16.440 2.646 1.00 2.83 O ATOM 0 H GLU A 52 5.776 15.246 1.819 1.00 0.78 H new ATOM 0 HA GLU A 52 3.426 15.121 0.207 1.00 0.89 H new ATOM 0 HB2 GLU A 52 5.796 17.028 0.163 1.00 1.09 H new ATOM 0 HB3 GLU A 52 4.250 17.305 -0.616 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.753 17.066 2.368 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.370 18.532 1.486 1.00 1.70 H new ATOM 821 N TYR A 53 6.085 13.970 -1.066 1.00 0.65 N ATOM 822 CA TYR A 53 6.649 13.306 -2.233 1.00 0.61 C ATOM 823 C TYR A 53 5.896 12.013 -2.524 1.00 0.52 C ATOM 824 O TYR A 53 6.354 11.197 -3.324 1.00 0.52 O ATOM 825 CB TYR A 53 8.129 12.976 -2.009 1.00 0.62 C ATOM 826 CG TYR A 53 9.062 14.168 -2.009 1.00 0.82 C ATOM 827 CD1 TYR A 53 9.341 14.847 -0.836 1.00 0.83 C ATOM 828 CD2 TYR A 53 9.683 14.593 -3.176 1.00 1.23 C ATOM 829 CE1 TYR A 53 10.210 15.915 -0.815 1.00 1.01 C ATOM 830 CE2 TYR A 53 10.554 15.667 -3.167 1.00 1.44 C ATOM 831 CZ TYR A 53 10.816 16.325 -1.984 1.00 1.25 C ATOM 832 OH TYR A 53 11.693 17.388 -1.966 1.00 1.48 O ATOM 0 H TYR A 53 6.558 13.751 -0.189 1.00 0.65 H new ATOM 0 HA TYR A 53 6.555 13.986 -3.080 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.229 12.457 -1.056 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.452 12.282 -2.785 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.867 14.533 0.082 1.00 0.83 H new ATOM 0 HD2 TYR A 53 9.483 14.078 -4.104 1.00 1.23 H new ATOM 0 HE1 TYR A 53 10.416 16.429 0.112 1.00 1.01 H new ATOM 0 HE2 TYR A 53 11.027 15.989 -4.083 1.00 1.44 H new ATOM 0 HH TYR A 53 12.033 17.547 -2.871 1.00 1.48 H new ATOM 842 N ASP A 54 4.749 11.830 -1.862 1.00 0.52 N ATOM 843 CA ASP A 54 3.970 10.598 -1.972 1.00 0.52 C ATOM 844 C ASP A 54 3.733 10.223 -3.427 1.00 0.57 C ATOM 845 O ASP A 54 3.488 11.080 -4.280 1.00 0.68 O ATOM 846 CB ASP A 54 2.631 10.715 -1.228 1.00 0.65 C ATOM 847 CG ASP A 54 1.628 11.616 -1.927 1.00 0.88 C ATOM 848 OD1 ASP A 54 1.700 12.849 -1.742 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.755 11.091 -2.647 1.00 1.22 O ATOM 0 H ASP A 54 4.339 12.527 -1.240 1.00 0.52 H new ATOM 0 HA ASP A 54 4.553 9.805 -1.504 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.198 9.721 -1.116 1.00 0.65 H new ATOM 0 HB3 ASP A 54 2.814 11.098 -0.224 1.00 0.65 H new ATOM 854 N GLN A 55 3.833 8.939 -3.702 1.00 0.54 N ATOM 855 CA GLN A 55 3.767 8.449 -5.058 1.00 0.60 C ATOM 856 C GLN A 55 2.657 7.422 -5.218 1.00 0.46 C ATOM 857 O GLN A 55 2.568 6.451 -4.462 1.00 0.57 O ATOM 858 CB GLN A 55 5.116 7.852 -5.444 1.00 0.78 C ATOM 859 CG GLN A 55 5.112 7.138 -6.779 1.00 0.87 C ATOM 860 CD GLN A 55 6.505 6.830 -7.271 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.738 6.741 -8.470 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.447 6.681 -6.349 1.00 0.81 N ATOM 0 H GLN A 55 3.961 8.213 -2.997 1.00 0.54 H new ATOM 0 HA GLN A 55 3.538 9.282 -5.723 1.00 0.60 H new ATOM 0 HB2 GLN A 55 5.860 8.648 -5.471 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.427 7.151 -4.669 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.548 6.210 -6.690 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.597 7.754 -7.516 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.210 6.763 -5.360 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.408 6.484 -6.629 1.00 0.81 H new ATOM 871 N VAL A 56 1.816 7.648 -6.207 1.00 0.41 N ATOM 872 CA VAL A 56 0.727 6.744 -6.506 1.00 0.37 C ATOM 873 C VAL A 56 1.178 5.688 -7.501 1.00 0.36 C ATOM 874 O VAL A 56 1.448 5.994 -8.662 1.00 0.44 O ATOM 875 CB VAL A 56 -0.488 7.495 -7.080 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.589 6.521 -7.467 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.006 8.511 -6.079 1.00 1.08 C ATOM 0 H VAL A 56 1.869 8.460 -6.823 1.00 0.41 H new ATOM 0 HA VAL A 56 0.431 6.268 -5.571 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.169 8.025 -7.978 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.438 7.073 -7.870 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.214 5.829 -8.222 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.905 5.961 -6.587 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -1.865 9.033 -6.501 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.306 8.000 -5.164 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.220 9.231 -5.852 1.00 1.08 H new ATOM 887 N LEU A 57 1.270 4.455 -7.033 1.00 0.34 N ATOM 888 CA LEU A 57 1.637 3.341 -7.891 1.00 0.39 C ATOM 889 C LEU A 57 0.537 3.059 -8.897 1.00 0.36 C ATOM 890 O LEU A 57 0.785 2.970 -10.097 1.00 0.48 O ATOM 891 CB LEU A 57 1.919 2.103 -7.049 1.00 0.44 C ATOM 892 CG LEU A 57 3.322 2.048 -6.462 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.460 0.885 -5.501 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.332 1.933 -7.586 1.00 0.77 C ATOM 0 H LEU A 57 1.095 4.199 -6.061 1.00 0.34 H new ATOM 0 HA LEU A 57 2.541 3.606 -8.439 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.196 2.060 -6.235 1.00 0.44 H new ATOM 0 HB3 LEU A 57 1.760 1.217 -7.663 1.00 0.44 H new ATOM 0 HG LEU A 57 3.509 2.965 -5.902 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.471 0.867 -5.095 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.744 0.999 -4.687 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.264 -0.048 -6.029 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.338 1.893 -7.168 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.140 1.024 -8.156 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.246 2.799 -8.243 1.00 0.77 H new ATOM 906 N ASP A 58 -0.677 2.924 -8.393 1.00 0.31 N ATOM 907 CA ASP A 58 -1.844 2.712 -9.233 1.00 0.35 C ATOM 908 C ASP A 58 -3.105 2.897 -8.409 1.00 0.33 C ATOM 909 O ASP A 58 -3.116 2.624 -7.207 1.00 0.33 O ATOM 910 CB ASP A 58 -1.819 1.309 -9.857 1.00 0.43 C ATOM 911 CG ASP A 58 -3.050 1.009 -10.700 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.373 1.819 -11.592 1.00 0.92 O ATOM 913 OD2 ASP A 58 -3.698 -0.038 -10.476 1.00 1.31 O ATOM 0 H ASP A 58 -0.882 2.958 -7.394 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.831 3.443 -10.042 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.928 1.209 -10.477 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.740 0.566 -9.063 1.00 0.43 H new ATOM 918 N SER A 59 -4.140 3.402 -9.044 1.00 0.42 N ATOM 919 CA SER A 59 -5.438 3.511 -8.417 1.00 0.43 C ATOM 920 C SER A 59 -6.446 2.709 -9.229 1.00 0.46 C ATOM 921 O SER A 59 -6.797 3.090 -10.346 1.00 0.58 O ATOM 922 CB SER A 59 -5.850 4.985 -8.305 1.00 0.52 C ATOM 923 OG SER A 59 -5.684 5.661 -9.542 1.00 1.09 O ATOM 0 H SER A 59 -4.106 3.747 -10.003 1.00 0.42 H new ATOM 0 HA SER A 59 -5.401 3.106 -7.406 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.891 5.051 -7.989 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.252 5.475 -7.537 1.00 0.52 H new ATOM 0 HG SER A 59 -5.921 5.059 -10.278 1.00 1.09 H new ATOM 929 N VAL A 60 -6.890 1.598 -8.669 1.00 0.39 N ATOM 930 CA VAL A 60 -7.735 0.667 -9.388 1.00 0.45 C ATOM 931 C VAL A 60 -9.191 0.820 -8.955 1.00 0.38 C ATOM 932 O VAL A 60 -9.524 0.740 -7.770 1.00 0.39 O ATOM 933 CB VAL A 60 -7.234 -0.790 -9.199 1.00 0.54 C ATOM 934 CG1 VAL A 60 -7.324 -1.240 -7.754 1.00 1.22 C ATOM 935 CG2 VAL A 60 -7.971 -1.761 -10.102 1.00 1.11 C ATOM 0 H VAL A 60 -6.676 1.319 -7.711 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.679 0.898 -10.452 1.00 0.45 H new ATOM 0 HB VAL A 60 -6.182 -0.792 -9.485 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -6.963 -2.265 -7.669 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -6.713 -0.587 -7.131 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.361 -1.192 -7.422 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -7.591 -2.769 -9.939 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -9.036 -1.733 -9.873 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -7.816 -1.479 -11.143 1.00 1.11 H new ATOM 945 N LEU A 61 -10.046 1.090 -9.926 1.00 0.40 N ATOM 946 CA LEU A 61 -11.462 1.299 -9.669 1.00 0.39 C ATOM 947 C LEU A 61 -12.247 0.066 -10.085 1.00 0.38 C ATOM 948 O LEU A 61 -12.082 -0.423 -11.204 1.00 0.57 O ATOM 949 CB LEU A 61 -12.001 2.509 -10.459 1.00 0.51 C ATOM 950 CG LEU A 61 -11.395 3.884 -10.137 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.372 4.131 -8.641 1.00 1.31 C ATOM 952 CD2 LEU A 61 -10.003 4.033 -10.732 1.00 1.34 C ATOM 0 H LEU A 61 -9.782 1.170 -10.908 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.581 1.488 -8.602 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.850 2.314 -11.521 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.077 2.567 -10.295 1.00 0.51 H new ATOM 0 HG LEU A 61 -12.033 4.639 -10.596 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.938 5.111 -8.441 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.389 4.098 -8.251 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.772 3.362 -8.154 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.605 5.017 -10.485 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.348 3.263 -10.323 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -10.057 3.925 -11.815 1.00 1.34 H new ATOM 964 N VAL A 62 -13.084 -0.455 -9.199 1.00 0.27 N ATOM 965 CA VAL A 62 -13.989 -1.524 -9.594 1.00 0.27 C ATOM 966 C VAL A 62 -15.428 -1.019 -9.563 1.00 0.26 C ATOM 967 O VAL A 62 -16.021 -0.853 -8.498 1.00 0.30 O ATOM 968 CB VAL A 62 -13.854 -2.749 -8.660 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.770 -3.880 -9.108 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.408 -3.221 -8.599 1.00 0.59 C ATOM 0 H VAL A 62 -13.156 -0.163 -8.224 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.725 -1.833 -10.605 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.159 -2.445 -7.659 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.656 -4.729 -8.434 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.805 -3.539 -9.089 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.506 -4.182 -10.121 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.334 -4.084 -7.937 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.074 -3.501 -9.598 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.778 -2.417 -8.218 1.00 0.59 H new ATOM 980 N GLY A 63 -15.947 -0.710 -10.740 1.00 0.28 N ATOM 981 CA GLY A 63 -17.337 -0.345 -10.897 1.00 0.33 C ATOM 982 C GLY A 63 -18.147 -1.464 -11.551 1.00 0.36 C ATOM 983 O GLY A 63 -17.808 -1.859 -12.666 1.00 0.42 O ATOM 0 H GLY A 63 -15.414 -0.706 -11.610 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.763 -0.110 -9.922 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.410 0.558 -11.503 1.00 0.33 H new ATOM 987 N PRO A 64 -19.194 -2.022 -10.921 1.00 0.39 N ATOM 988 CA PRO A 64 -19.517 -1.872 -9.514 1.00 0.39 C ATOM 989 C PRO A 64 -19.103 -3.117 -8.732 1.00 0.38 C ATOM 990 O PRO A 64 -18.801 -4.158 -9.324 1.00 0.41 O ATOM 991 CB PRO A 64 -21.038 -1.747 -9.560 1.00 0.48 C ATOM 992 CG PRO A 64 -21.461 -2.590 -10.727 1.00 0.55 C ATOM 993 CD PRO A 64 -20.233 -2.823 -11.585 1.00 0.48 C ATOM 0 HA PRO A 64 -19.015 -1.036 -9.027 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.491 -2.099 -8.633 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.345 -0.709 -9.691 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -21.876 -3.538 -10.385 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.241 -2.089 -11.300 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -19.964 -3.879 -11.622 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.394 -2.499 -12.613 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.077 -3.029 -7.416 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.654 -4.164 -6.612 1.00 0.40 C ATOM 1003 C VAL A 65 -19.847 -4.772 -5.875 1.00 0.41 C ATOM 1004 O VAL A 65 -20.448 -4.129 -5.012 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.552 -3.775 -5.606 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.530 -4.892 -5.491 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.876 -2.472 -6.011 1.00 0.95 C ATOM 0 H VAL A 65 -19.339 -2.198 -6.886 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.237 -4.907 -7.292 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.017 -3.622 -4.632 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -15.757 -4.606 -4.778 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.022 -5.802 -5.147 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.076 -5.072 -6.466 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.103 -2.222 -5.284 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.424 -2.588 -6.996 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.616 -1.673 -6.043 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.224 -6.011 -6.240 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.364 -6.718 -5.642 1.00 0.48 C ATOM 1019 C PRO A 66 -21.087 -7.195 -4.225 1.00 0.39 C ATOM 1020 O PRO A 66 -19.933 -7.393 -3.838 1.00 0.33 O ATOM 1021 CB PRO A 66 -21.581 -7.921 -6.576 1.00 0.59 C ATOM 1022 CG PRO A 66 -20.722 -7.665 -7.771 1.00 0.70 C ATOM 1023 CD PRO A 66 -19.585 -6.819 -7.285 1.00 0.46 C ATOM 0 HA PRO A 66 -22.233 -6.065 -5.554 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -21.301 -8.853 -6.085 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -22.629 -8.012 -6.860 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.359 -8.600 -8.198 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.283 -7.154 -8.553 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -18.768 -7.423 -6.890 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.169 -6.201 -8.080 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.161 -7.401 -3.472 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.066 -7.794 -2.075 1.00 0.36 C ATOM 1033 C ALA A 67 -21.446 -9.175 -1.940 1.00 0.34 C ATOM 1034 O ALA A 67 -21.870 -10.129 -2.594 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.442 -7.766 -1.423 1.00 0.40 C ATOM 0 H ALA A 67 -23.117 -7.300 -3.812 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.420 -7.080 -1.564 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.355 -8.062 -0.378 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -23.852 -6.758 -1.482 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.105 -8.458 -1.943 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.435 -9.274 -1.098 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.776 -10.540 -0.878 1.00 0.33 C ATOM 1043 C GLY A 68 -18.330 -10.360 -0.489 1.00 0.27 C ATOM 1044 O GLY A 68 -17.771 -9.277 -0.650 1.00 0.26 O ATOM 0 H GLY A 68 -20.056 -8.495 -0.559 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.297 -11.089 -0.094 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -19.836 -11.143 -1.784 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.713 -11.412 0.016 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.332 -11.332 0.445 1.00 0.26 C ATOM 1050 C ARG A 69 -15.404 -11.598 -0.731 1.00 0.26 C ATOM 1051 O ARG A 69 -15.169 -12.743 -1.118 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.061 -12.306 1.592 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.659 -12.194 2.153 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.530 -12.915 3.485 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.418 -12.359 4.510 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.136 -12.348 5.815 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -13.994 -12.858 6.260 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -15.999 -11.815 6.673 1.00 2.78 N ATOM 0 H ARG A 69 -18.145 -12.328 0.138 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.139 -10.325 0.815 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.780 -12.125 2.391 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.224 -13.325 1.241 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.947 -12.613 1.442 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.401 -11.143 2.281 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.757 -13.972 3.346 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.498 -12.853 3.830 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.305 -11.956 4.208 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.326 -13.262 5.604 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.785 -12.846 7.258 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.874 -11.416 6.334 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.786 -11.805 7.671 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.897 -10.522 -1.304 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.028 -10.595 -2.467 1.00 0.24 C ATOM 1074 C HIS A 70 -12.576 -10.676 -2.030 1.00 0.25 C ATOM 1075 O HIS A 70 -12.224 -10.194 -0.957 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.208 -9.357 -3.344 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.555 -9.233 -3.987 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -15.785 -9.531 -5.312 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.739 -8.812 -3.489 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.052 -9.298 -5.599 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.653 -8.858 -4.509 1.00 0.47 N ATOM 0 H HIS A 70 -15.075 -9.572 -0.977 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.294 -11.487 -3.035 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.028 -8.470 -2.737 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.448 -9.369 -4.125 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.930 -8.497 -2.474 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -17.518 -9.443 -6.562 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.636 -8.595 -4.438 1.00 0.47 H new ATOM 1090 N MET A 71 -11.738 -11.272 -2.860 1.00 0.33 N ATOM 1091 CA MET A 71 -10.312 -11.334 -2.584 1.00 0.38 C ATOM 1092 C MET A 71 -9.535 -11.100 -3.869 1.00 0.38 C ATOM 1093 O MET A 71 -9.339 -12.020 -4.663 1.00 0.48 O ATOM 1094 CB MET A 71 -9.935 -12.684 -1.973 1.00 0.47 C ATOM 1095 CG MET A 71 -8.478 -12.774 -1.549 1.00 0.60 C ATOM 1096 SD MET A 71 -8.055 -14.378 -0.839 1.00 0.80 S ATOM 1097 CE MET A 71 -6.379 -14.064 -0.287 1.00 1.80 C ATOM 0 H MET A 71 -12.020 -11.721 -3.732 1.00 0.33 H new ATOM 0 HA MET A 71 -10.059 -10.556 -1.863 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.569 -12.871 -1.106 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.144 -13.472 -2.697 1.00 0.47 H new ATOM 0 HG2 MET A 71 -7.841 -12.584 -2.413 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.267 -11.992 -0.820 1.00 0.60 H new ATOM 0 HE1 MET A 71 -6.088 -14.821 0.442 1.00 1.80 H new ATOM 0 HE2 MET A 71 -5.702 -14.102 -1.140 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.326 -13.078 0.174 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.114 -9.866 -4.086 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.445 -9.514 -5.328 1.00 0.31 C ATOM 1109 C PHE A 72 -6.988 -9.163 -5.066 1.00 0.29 C ATOM 1110 O PHE A 72 -6.625 -8.757 -3.959 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.169 -8.353 -6.028 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.820 -6.984 -5.506 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.208 -6.581 -4.239 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.106 -6.098 -6.298 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -8.890 -5.322 -3.772 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.785 -4.839 -5.835 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.176 -4.450 -4.571 1.00 0.29 C ATOM 0 H PHE A 72 -9.222 -9.096 -3.425 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.476 -10.378 -5.991 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.940 -8.390 -7.093 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.244 -8.501 -5.928 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.765 -7.259 -3.610 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.798 -6.397 -7.289 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.199 -5.019 -2.783 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.228 -4.158 -6.462 1.00 0.32 H new ATOM 0 HZ PHE A 72 -7.924 -3.465 -4.206 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.160 -9.323 -6.081 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.743 -9.058 -5.948 1.00 0.29 C ATOM 1129 C VAL A 73 -4.402 -7.707 -6.546 1.00 0.30 C ATOM 1130 O VAL A 73 -4.379 -7.540 -7.765 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.891 -10.140 -6.636 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.404 -9.895 -6.397 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.299 -11.527 -6.161 1.00 1.00 C ATOM 0 H VAL A 73 -6.447 -9.636 -7.008 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.514 -9.064 -4.882 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.070 -10.084 -7.710 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -1.823 -10.672 -6.893 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.126 -8.921 -6.800 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.199 -9.916 -5.327 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.685 -12.277 -6.659 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.156 -11.599 -5.083 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.348 -11.700 -6.400 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.168 -6.740 -5.682 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.724 -5.433 -6.116 1.00 0.25 C ATOM 1145 C PHE A 74 -2.206 -5.455 -6.207 1.00 0.25 C ATOM 1146 O PHE A 74 -1.510 -5.571 -5.196 1.00 0.31 O ATOM 1147 CB PHE A 74 -4.209 -4.352 -5.144 1.00 0.28 C ATOM 1148 CG PHE A 74 -4.041 -2.939 -5.642 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -3.413 -2.701 -6.849 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.519 -1.852 -4.917 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -3.262 -1.416 -7.327 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.373 -0.564 -5.392 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.720 -0.322 -6.520 1.00 0.31 C ATOM 0 H PHE A 74 -4.279 -6.836 -4.673 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.143 -5.196 -7.094 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -5.263 -4.524 -4.927 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.668 -4.459 -4.204 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -3.035 -3.532 -7.426 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.011 -2.018 -3.970 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -2.808 -1.237 -8.290 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -4.797 0.259 -4.836 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.533 0.695 -6.830 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.707 -5.374 -7.424 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.294 -5.558 -7.682 1.00 0.27 C ATOM 1165 C GLN A 75 0.229 -4.435 -8.571 1.00 0.32 C ATOM 1166 O GLN A 75 -0.241 -4.249 -9.695 1.00 0.41 O ATOM 1167 CB GLN A 75 -0.075 -6.913 -8.354 1.00 0.32 C ATOM 1168 CG GLN A 75 1.370 -7.366 -8.383 1.00 0.49 C ATOM 1169 CD GLN A 75 1.593 -8.557 -9.295 1.00 0.52 C ATOM 1170 OE1 GLN A 75 2.673 -8.727 -9.859 1.00 1.14 O ATOM 1171 NE2 GLN A 75 0.571 -9.382 -9.461 1.00 1.12 N ATOM 0 H GLN A 75 -2.265 -5.180 -8.256 1.00 0.24 H new ATOM 0 HA GLN A 75 0.252 -5.532 -6.739 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.669 -7.664 -7.833 1.00 0.32 H new ATOM 0 HB3 GLN A 75 -0.449 -6.863 -9.377 1.00 0.32 H new ATOM 0 HG2 GLN A 75 1.999 -6.539 -8.712 1.00 0.49 H new ATOM 0 HG3 GLN A 75 1.686 -7.624 -7.372 1.00 0.49 H new ATOM 0 HE21 GLN A 75 -0.309 -9.208 -8.976 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.664 -10.192 -10.074 1.00 1.12 H new ATOM 1180 N ALA A 76 1.190 -3.685 -8.059 1.00 0.36 N ATOM 1181 CA ALA A 76 1.789 -2.587 -8.807 1.00 0.46 C ATOM 1182 C ALA A 76 3.300 -2.733 -8.804 1.00 0.40 C ATOM 1183 O ALA A 76 3.855 -3.308 -7.877 1.00 0.48 O ATOM 1184 CB ALA A 76 1.376 -1.249 -8.214 1.00 0.56 C ATOM 0 H ALA A 76 1.575 -3.816 -7.124 1.00 0.36 H new ATOM 0 HA ALA A 76 1.433 -2.621 -9.837 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.833 -0.441 -8.786 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.291 -1.153 -8.253 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.708 -1.193 -7.177 1.00 0.56 H new ATOM 1190 N ASP A 77 3.962 -2.221 -9.827 1.00 0.56 N ATOM 1191 CA ASP A 77 5.404 -2.418 -9.976 1.00 0.61 C ATOM 1192 C ASP A 77 6.199 -1.514 -9.028 1.00 0.43 C ATOM 1193 O ASP A 77 5.647 -0.953 -8.082 1.00 0.47 O ATOM 1194 CB ASP A 77 5.830 -2.185 -11.430 1.00 0.95 C ATOM 1195 CG ASP A 77 5.820 -0.724 -11.841 1.00 1.54 C ATOM 1196 OD1 ASP A 77 4.782 -0.060 -11.635 1.00 2.13 O ATOM 1197 OD2 ASP A 77 6.840 -0.233 -12.360 1.00 2.06 O ATOM 0 H ASP A 77 3.531 -1.667 -10.567 1.00 0.56 H new ATOM 0 HA ASP A 77 5.627 -3.451 -9.707 1.00 0.61 H new ATOM 0 HB2 ASP A 77 6.833 -2.587 -11.575 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.164 -2.743 -12.088 1.00 0.95 H new ATOM 1202 N ALA A 78 7.503 -1.399 -9.268 1.00 0.45 N ATOM 1203 CA ALA A 78 8.373 -0.621 -8.406 1.00 0.36 C ATOM 1204 C ALA A 78 8.179 0.869 -8.648 1.00 0.37 C ATOM 1205 O ALA A 78 8.223 1.333 -9.790 1.00 0.46 O ATOM 1206 CB ALA A 78 9.825 -1.015 -8.634 1.00 0.40 C ATOM 0 H ALA A 78 7.977 -1.839 -10.057 1.00 0.45 H new ATOM 0 HA ALA A 78 8.112 -0.832 -7.369 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.469 -0.425 -7.982 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.954 -2.074 -8.410 1.00 0.40 H new ATOM 0 HB3 ALA A 78 10.093 -0.829 -9.674 1.00 0.40 H new ATOM 1212 N PRO A 79 7.945 1.632 -7.573 1.00 0.34 N ATOM 1213 CA PRO A 79 7.773 3.080 -7.658 1.00 0.43 C ATOM 1214 C PRO A 79 9.029 3.781 -8.172 1.00 0.41 C ATOM 1215 O PRO A 79 10.133 3.243 -8.085 1.00 0.47 O ATOM 1216 CB PRO A 79 7.472 3.497 -6.213 1.00 0.47 C ATOM 1217 CG PRO A 79 7.970 2.380 -5.366 1.00 0.53 C ATOM 1218 CD PRO A 79 7.816 1.137 -6.193 1.00 0.33 C ATOM 0 HA PRO A 79 6.986 3.356 -8.360 1.00 0.43 H new ATOM 0 HB2 PRO A 79 7.972 4.433 -5.962 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.404 3.656 -6.065 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.012 2.536 -5.086 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.399 2.307 -4.441 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.583 0.399 -5.957 1.00 0.33 H new ATOM 0 HD3 PRO A 79 6.851 0.659 -6.025 1.00 0.33 H new ATOM 1226 N ASN A 80 8.841 4.977 -8.714 1.00 0.43 N ATOM 1227 CA ASN A 80 9.937 5.773 -9.268 1.00 0.46 C ATOM 1228 C ASN A 80 11.015 6.021 -8.214 1.00 0.40 C ATOM 1229 O ASN A 80 10.763 6.676 -7.200 1.00 0.39 O ATOM 1230 CB ASN A 80 9.387 7.110 -9.775 1.00 0.56 C ATOM 1231 CG ASN A 80 10.369 7.910 -10.610 1.00 1.33 C ATOM 1232 OD1 ASN A 80 11.586 7.801 -10.457 1.00 2.19 O ATOM 1233 ND2 ASN A 80 9.832 8.739 -11.490 1.00 1.59 N ATOM 0 H ASN A 80 7.927 5.425 -8.784 1.00 0.43 H new ATOM 0 HA ASN A 80 10.388 5.223 -10.094 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.493 6.920 -10.369 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.080 7.712 -8.919 1.00 0.56 H new ATOM 0 HD21 ASN A 80 10.432 9.320 -12.075 1.00 1.59 H new ATOM 0 HD22 ASN A 80 8.818 8.797 -11.583 1.00 1.59 H new ATOM 1240 N PRO A 81 12.232 5.497 -8.447 1.00 0.41 N ATOM 1241 CA PRO A 81 13.358 5.627 -7.512 1.00 0.41 C ATOM 1242 C PRO A 81 13.858 7.063 -7.393 1.00 0.43 C ATOM 1243 O PRO A 81 14.615 7.390 -6.484 1.00 0.48 O ATOM 1244 CB PRO A 81 14.446 4.734 -8.126 1.00 0.47 C ATOM 1245 CG PRO A 81 13.734 3.877 -9.114 1.00 0.54 C ATOM 1246 CD PRO A 81 12.610 4.718 -9.634 1.00 0.48 C ATOM 0 HA PRO A 81 13.073 5.340 -6.500 1.00 0.41 H new ATOM 0 HB2 PRO A 81 15.220 5.331 -8.608 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.938 4.131 -7.363 1.00 0.47 H new ATOM 0 HG2 PRO A 81 14.400 3.570 -9.920 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.359 2.967 -8.646 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.927 5.358 -10.457 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.784 4.111 -10.003 1.00 0.48 H new ATOM 1254 N GLY A 82 13.432 7.919 -8.312 1.00 0.45 N ATOM 1255 CA GLY A 82 13.828 9.310 -8.261 1.00 0.49 C ATOM 1256 C GLY A 82 13.007 10.090 -7.259 1.00 0.48 C ATOM 1257 O GLY A 82 13.381 11.193 -6.857 1.00 0.51 O ATOM 0 H GLY A 82 12.820 7.674 -9.090 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.884 9.378 -7.998 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.716 9.756 -9.249 1.00 0.49 H new ATOM 1261 N LEU A 83 11.880 9.513 -6.858 1.00 0.46 N ATOM 1262 CA LEU A 83 11.002 10.151 -5.889 1.00 0.49 C ATOM 1263 C LEU A 83 11.363 9.723 -4.472 1.00 0.46 C ATOM 1264 O LEU A 83 11.118 10.457 -3.516 1.00 0.52 O ATOM 1265 CB LEU A 83 9.534 9.828 -6.194 1.00 0.52 C ATOM 1266 CG LEU A 83 8.876 10.701 -7.277 1.00 0.58 C ATOM 1267 CD1 LEU A 83 9.610 10.600 -8.603 1.00 1.60 C ATOM 1268 CD2 LEU A 83 7.418 10.316 -7.458 1.00 1.34 C ATOM 0 H LEU A 83 11.554 8.605 -7.190 1.00 0.46 H new ATOM 0 HA LEU A 83 11.137 11.230 -5.965 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.466 8.785 -6.502 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.959 9.927 -5.273 1.00 0.52 H new ATOM 0 HG LEU A 83 8.933 11.736 -6.941 1.00 0.58 H new ATOM 0 HD11 LEU A 83 9.115 11.230 -9.342 1.00 1.60 H new ATOM 0 HD12 LEU A 83 10.640 10.932 -8.475 1.00 1.60 H new ATOM 0 HD13 LEU A 83 9.602 9.565 -8.945 1.00 1.60 H new ATOM 0 HD21 LEU A 83 6.969 10.944 -8.228 1.00 1.34 H new ATOM 0 HD22 LEU A 83 7.352 9.270 -7.759 1.00 1.34 H new ATOM 0 HD23 LEU A 83 6.885 10.457 -6.518 1.00 1.34 H new ATOM 1280 N ILE A 84 11.954 8.538 -4.345 1.00 0.41 N ATOM 1281 CA ILE A 84 12.410 8.055 -3.050 1.00 0.40 C ATOM 1282 C ILE A 84 13.731 8.730 -2.676 1.00 0.46 C ATOM 1283 O ILE A 84 14.703 8.682 -3.433 1.00 0.52 O ATOM 1284 CB ILE A 84 12.569 6.521 -3.052 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.245 5.864 -3.452 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.022 6.026 -1.683 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.321 4.356 -3.568 1.00 0.33 C ATOM 0 H ILE A 84 12.127 7.899 -5.121 1.00 0.41 H new ATOM 0 HA ILE A 84 11.657 8.310 -2.305 1.00 0.40 H new ATOM 0 HB ILE A 84 13.333 6.246 -3.779 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.484 6.124 -2.716 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.919 6.277 -4.407 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.128 4.941 -1.705 1.00 0.39 H new ATOM 0 HG22 ILE A 84 13.981 6.480 -1.431 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.281 6.303 -0.933 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.345 3.963 -3.855 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.057 4.086 -4.325 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.615 3.932 -2.608 1.00 0.33 H new ATOM 1299 N PRO A 85 13.771 9.380 -1.506 1.00 0.48 N ATOM 1300 CA PRO A 85 14.893 10.212 -1.097 1.00 0.57 C ATOM 1301 C PRO A 85 16.081 9.411 -0.575 1.00 0.56 C ATOM 1302 O PRO A 85 15.938 8.267 -0.134 1.00 0.55 O ATOM 1303 CB PRO A 85 14.291 11.073 0.010 1.00 0.68 C ATOM 1304 CG PRO A 85 13.247 10.212 0.627 1.00 0.81 C ATOM 1305 CD PRO A 85 12.727 9.324 -0.472 1.00 0.50 C ATOM 0 HA PRO A 85 15.304 10.778 -1.933 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.046 11.366 0.740 1.00 0.68 H new ATOM 0 HB3 PRO A 85 13.862 11.991 -0.391 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.663 9.619 1.441 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.445 10.817 1.051 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.570 8.305 -0.119 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.770 9.681 -0.853 1.00 0.50 H new ATOM 1313 N ASP A 86 17.245 10.045 -0.615 1.00 0.67 N ATOM 1314 CA ASP A 86 18.494 9.462 -0.128 1.00 0.76 C ATOM 1315 C ASP A 86 18.349 8.902 1.287 1.00 0.78 C ATOM 1316 O ASP A 86 18.749 7.773 1.568 1.00 0.86 O ATOM 1317 CB ASP A 86 19.579 10.541 -0.146 1.00 0.98 C ATOM 1318 CG ASP A 86 20.886 10.086 0.467 1.00 1.52 C ATOM 1319 OD1 ASP A 86 21.699 9.478 -0.257 1.00 1.92 O ATOM 1320 OD2 ASP A 86 21.119 10.366 1.664 1.00 2.29 O ATOM 0 H ASP A 86 17.353 10.988 -0.989 1.00 0.67 H new ATOM 0 HA ASP A 86 18.764 8.632 -0.781 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.757 10.850 -1.176 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.219 11.418 0.392 1.00 0.98 H new ATOM 1325 N ALA A 87 17.740 9.691 2.159 1.00 0.83 N ATOM 1326 CA ALA A 87 17.667 9.357 3.575 1.00 0.99 C ATOM 1327 C ALA A 87 16.630 8.274 3.874 1.00 0.90 C ATOM 1328 O ALA A 87 16.715 7.603 4.902 1.00 1.07 O ATOM 1329 CB ALA A 87 17.363 10.608 4.382 1.00 1.25 C ATOM 0 H ALA A 87 17.287 10.571 1.911 1.00 0.83 H new ATOM 0 HA ALA A 87 18.638 8.953 3.863 1.00 0.99 H new ATOM 0 HB1 ALA A 87 17.309 10.354 5.441 1.00 1.25 H new ATOM 0 HB2 ALA A 87 18.152 11.343 4.225 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.409 11.026 4.060 1.00 1.25 H new ATOM 1335 N ASP A 88 15.663 8.096 2.982 1.00 0.76 N ATOM 1336 CA ASP A 88 14.557 7.173 3.245 1.00 0.78 C ATOM 1337 C ASP A 88 14.736 5.843 2.515 1.00 0.62 C ATOM 1338 O ASP A 88 14.234 4.813 2.962 1.00 0.64 O ATOM 1339 CB ASP A 88 13.226 7.811 2.852 1.00 0.99 C ATOM 1340 CG ASP A 88 12.049 6.871 3.029 1.00 1.41 C ATOM 1341 OD1 ASP A 88 11.710 6.555 4.183 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.480 6.433 2.013 1.00 1.94 O ATOM 0 H ASP A 88 15.618 8.570 2.080 1.00 0.76 H new ATOM 0 HA ASP A 88 14.556 6.965 4.315 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.065 8.705 3.454 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.275 8.132 1.812 1.00 0.99 H new ATOM 1347 N ALA A 89 15.468 5.861 1.405 1.00 0.54 N ATOM 1348 CA ALA A 89 15.676 4.651 0.612 1.00 0.49 C ATOM 1349 C ALA A 89 16.342 3.557 1.440 1.00 0.44 C ATOM 1350 O ALA A 89 16.067 2.375 1.263 1.00 0.51 O ATOM 1351 CB ALA A 89 16.506 4.958 -0.626 1.00 0.48 C ATOM 0 H ALA A 89 15.925 6.694 1.035 1.00 0.54 H new ATOM 0 HA ALA A 89 14.698 4.287 0.295 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.650 4.045 -1.203 1.00 0.48 H new ATOM 0 HB2 ALA A 89 15.987 5.696 -1.238 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.476 5.353 -0.325 1.00 0.48 H new ATOM 1357 N VAL A 90 17.222 3.963 2.337 1.00 0.41 N ATOM 1358 CA VAL A 90 17.892 3.035 3.233 1.00 0.43 C ATOM 1359 C VAL A 90 17.236 3.090 4.621 1.00 0.43 C ATOM 1360 O VAL A 90 17.913 3.059 5.648 1.00 0.49 O ATOM 1361 CB VAL A 90 19.394 3.373 3.349 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.167 2.205 3.944 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.961 3.751 1.993 1.00 0.54 C ATOM 0 H VAL A 90 17.492 4.938 2.466 1.00 0.41 H new ATOM 0 HA VAL A 90 17.796 2.029 2.825 1.00 0.43 H new ATOM 0 HB VAL A 90 19.500 4.227 4.018 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.223 2.466 4.016 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.780 1.981 4.938 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.053 1.330 3.305 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.021 3.986 2.094 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.839 2.917 1.302 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.431 4.622 1.607 1.00 0.54 H new ATOM 1373 N GLY A 91 15.910 3.184 4.649 1.00 0.42 N ATOM 1374 CA GLY A 91 15.212 3.410 5.905 1.00 0.46 C ATOM 1375 C GLY A 91 13.925 2.618 6.017 1.00 0.43 C ATOM 1376 O GLY A 91 13.880 1.445 5.652 1.00 0.62 O ATOM 0 H GLY A 91 15.307 3.108 3.829 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.869 3.144 6.733 1.00 0.46 H new ATOM 0 HA3 GLY A 91 14.988 4.472 6.004 1.00 0.46 H new ATOM 1380 N VAL A 92 12.879 3.259 6.524 1.00 0.40 N ATOM 1381 CA VAL A 92 11.586 2.611 6.694 1.00 0.38 C ATOM 1382 C VAL A 92 10.461 3.473 6.112 1.00 0.36 C ATOM 1383 O VAL A 92 10.026 4.464 6.707 1.00 0.55 O ATOM 1384 CB VAL A 92 11.308 2.268 8.181 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.496 3.482 9.081 1.00 1.07 C ATOM 1386 CG2 VAL A 92 9.915 1.680 8.350 1.00 1.23 C ATOM 0 H VAL A 92 12.903 4.233 6.826 1.00 0.40 H new ATOM 0 HA VAL A 92 11.617 1.672 6.142 1.00 0.38 H new ATOM 0 HB VAL A 92 12.037 1.517 8.486 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.293 3.203 10.115 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.521 3.842 8.997 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.809 4.271 8.776 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.743 1.448 9.401 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.172 2.402 8.012 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.831 0.768 7.758 1.00 1.23 H new ATOM 1396 N THR A 93 10.011 3.090 4.932 1.00 0.28 N ATOM 1397 CA THR A 93 8.970 3.803 4.228 1.00 0.28 C ATOM 1398 C THR A 93 7.614 3.148 4.506 1.00 0.27 C ATOM 1399 O THR A 93 7.548 2.047 5.050 1.00 0.41 O ATOM 1400 CB THR A 93 9.259 3.786 2.713 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.667 3.935 2.481 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.516 4.900 2.001 1.00 0.59 C ATOM 0 H THR A 93 10.361 2.271 4.435 1.00 0.28 H new ATOM 0 HA THR A 93 8.945 4.836 4.575 1.00 0.28 H new ATOM 0 HB THR A 93 8.917 2.830 2.318 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.837 4.795 2.044 1.00 0.63 H new ATOM 0 HG21 THR A 93 8.739 4.863 0.935 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.444 4.776 2.152 1.00 0.59 H new ATOM 0 HG23 THR A 93 8.830 5.863 2.404 1.00 0.59 H new ATOM 1410 N VAL A 94 6.532 3.825 4.161 1.00 0.25 N ATOM 1411 CA VAL A 94 5.204 3.264 4.347 1.00 0.25 C ATOM 1412 C VAL A 94 4.529 3.049 2.996 1.00 0.24 C ATOM 1413 O VAL A 94 4.612 3.900 2.109 1.00 0.28 O ATOM 1414 CB VAL A 94 4.314 4.183 5.217 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.970 3.533 5.509 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.021 4.552 6.512 1.00 0.32 C ATOM 0 H VAL A 94 6.546 4.760 3.752 1.00 0.25 H new ATOM 0 HA VAL A 94 5.322 2.310 4.860 1.00 0.25 H new ATOM 0 HB VAL A 94 4.130 5.097 4.652 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.367 4.203 6.122 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.451 3.334 4.571 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.127 2.596 6.043 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.376 5.198 7.107 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.246 3.646 7.075 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.949 5.076 6.283 1.00 0.32 H new ATOM 1426 N VAL A 95 3.880 1.909 2.834 1.00 0.22 N ATOM 1427 CA VAL A 95 3.087 1.654 1.651 1.00 0.22 C ATOM 1428 C VAL A 95 1.632 1.505 2.070 1.00 0.24 C ATOM 1429 O VAL A 95 1.259 0.556 2.764 1.00 0.34 O ATOM 1430 CB VAL A 95 3.580 0.411 0.862 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.684 -0.822 1.747 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.673 0.135 -0.326 1.00 0.60 C ATOM 0 H VAL A 95 3.889 1.146 3.510 1.00 0.22 H new ATOM 0 HA VAL A 95 3.193 2.497 0.968 1.00 0.22 H new ATOM 0 HB VAL A 95 4.582 0.638 0.497 1.00 0.26 H new ATOM 0 HG11 VAL A 95 4.032 -1.667 1.154 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.389 -0.631 2.556 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.705 -1.052 2.167 1.00 0.54 H new ATOM 0 HG21 VAL A 95 3.036 -0.740 -0.865 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.658 -0.051 0.026 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.673 0.998 -0.992 1.00 0.60 H new ATOM 1442 N LEU A 96 0.818 2.471 1.694 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.535 2.532 2.198 1.00 0.26 C ATOM 1444 C LEU A 96 -1.562 2.438 1.080 1.00 0.24 C ATOM 1445 O LEU A 96 -1.458 3.106 0.051 1.00 0.38 O ATOM 1446 CB LEU A 96 -0.731 3.798 3.047 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.429 5.131 2.357 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.695 5.727 1.760 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.215 6.102 3.334 1.00 1.21 C ATOM 0 H LEU A 96 1.069 3.218 1.046 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.696 1.665 2.838 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.763 3.820 3.396 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.098 3.719 3.931 1.00 0.44 H new ATOM 0 HG LEU A 96 0.274 4.946 1.544 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.458 6.674 1.275 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.111 5.037 1.026 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -2.425 5.898 2.551 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.423 7.044 2.827 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -0.463 6.281 4.169 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.147 5.678 3.708 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.534 1.571 1.288 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.632 1.402 0.358 1.00 0.24 C ATOM 1463 C ILE A 97 -4.844 2.170 0.853 1.00 0.26 C ATOM 1464 O ILE A 97 -5.410 1.847 1.902 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.003 -0.086 0.177 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.774 -0.888 -0.261 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.131 -0.239 -0.839 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.016 -2.379 -0.336 1.00 0.30 C ATOM 0 H ILE A 97 -2.584 0.964 2.106 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.313 1.790 -0.609 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.351 -0.475 1.134 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.448 -0.532 -1.238 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.958 -0.696 0.436 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.378 -1.295 -0.952 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.010 0.304 -0.491 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.812 0.164 -1.800 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.102 -2.881 -0.653 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.312 -2.749 0.646 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.809 -2.583 -1.055 1.00 0.30 H new ATOM 1480 N THR A 98 -5.217 3.201 0.119 1.00 0.29 N ATOM 1481 CA THR A 98 -6.380 3.991 0.460 1.00 0.33 C ATOM 1482 C THR A 98 -7.599 3.483 -0.292 1.00 0.28 C ATOM 1483 O THR A 98 -7.504 3.089 -1.459 1.00 0.37 O ATOM 1484 CB THR A 98 -6.157 5.482 0.148 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.593 5.635 -1.163 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.240 6.122 1.179 1.00 1.07 C ATOM 0 H THR A 98 -4.728 3.510 -0.721 1.00 0.29 H new ATOM 0 HA THR A 98 -6.548 3.890 1.532 1.00 0.33 H new ATOM 0 HB THR A 98 -7.124 5.983 0.185 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.457 6.587 -1.352 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.098 7.175 0.936 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.688 6.035 2.169 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.275 5.615 1.172 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.732 3.457 0.386 1.00 0.28 N ATOM 1495 CA CYS A 99 -9.970 3.005 -0.224 1.00 0.29 C ATOM 1496 C CYS A 99 -11.012 4.114 -0.179 1.00 0.31 C ATOM 1497 O CYS A 99 -11.435 4.544 0.899 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.474 1.760 0.493 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.180 0.542 0.813 1.00 1.32 S ATOM 0 H CYS A 99 -8.821 3.744 1.361 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.785 2.753 -1.268 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -10.928 2.054 1.439 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.258 1.297 -0.106 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.386 -0.512 0.080 1.00 1.32 H new ATOM 1505 N THR A 100 -11.420 4.570 -1.351 1.00 0.34 N ATOM 1506 CA THR A 100 -12.301 5.719 -1.463 1.00 0.38 C ATOM 1507 C THR A 100 -13.704 5.323 -1.938 1.00 0.37 C ATOM 1508 O THR A 100 -13.859 4.521 -2.862 1.00 0.41 O ATOM 1509 CB THR A 100 -11.699 6.749 -2.439 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.340 7.021 -2.075 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.491 8.044 -2.433 1.00 0.50 C ATOM 0 H THR A 100 -11.152 4.158 -2.245 1.00 0.34 H new ATOM 0 HA THR A 100 -12.395 6.157 -0.469 1.00 0.38 H new ATOM 0 HB THR A 100 -11.740 6.327 -3.443 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.839 7.304 -2.868 1.00 0.47 H new ATOM 0 HG21 THR A 100 -12.041 8.749 -3.132 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.519 7.843 -2.733 1.00 0.50 H new ATOM 0 HG23 THR A 100 -12.482 8.471 -1.430 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.712 5.888 -1.280 1.00 0.37 N ATOM 1520 CA TYR A 101 -16.106 5.727 -1.670 1.00 0.40 C ATOM 1521 C TYR A 101 -16.822 7.066 -1.499 1.00 0.44 C ATOM 1522 O TYR A 101 -16.686 7.711 -0.460 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.781 4.651 -0.813 1.00 0.41 C ATOM 1524 CG TYR A 101 -18.099 4.140 -1.364 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.138 3.182 -2.369 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.306 4.635 -0.891 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.342 2.735 -2.885 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.513 4.190 -1.396 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.509 3.161 -2.360 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.733 2.815 -2.911 1.00 0.65 O ATOM 0 H TYR A 101 -14.582 6.474 -0.456 1.00 0.37 H new ATOM 0 HA TYR A 101 -16.159 5.411 -2.712 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -16.097 3.809 -0.704 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.951 5.054 0.185 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.213 2.779 -2.754 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.302 5.383 -0.112 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.347 2.041 -3.713 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.443 4.623 -1.058 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.138 3.603 -3.329 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.542 7.495 -2.533 1.00 0.52 N ATOM 1541 CA ARG A 102 -18.244 8.789 -2.537 1.00 0.59 C ATOM 1542 C ARG A 102 -17.252 9.953 -2.556 1.00 0.57 C ATOM 1543 O ARG A 102 -17.629 11.104 -2.336 1.00 0.64 O ATOM 1544 CB ARG A 102 -19.172 8.941 -1.316 1.00 0.65 C ATOM 1545 CG ARG A 102 -20.276 7.900 -1.234 1.00 0.75 C ATOM 1546 CD ARG A 102 -21.325 8.108 -2.308 1.00 0.86 C ATOM 1547 NE ARG A 102 -22.406 7.128 -2.214 1.00 1.26 N ATOM 1548 CZ ARG A 102 -23.442 7.085 -3.045 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.587 8.019 -3.976 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -24.349 6.127 -2.932 1.00 2.45 N ATOM 0 H ARG A 102 -17.659 6.961 -3.394 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.850 8.811 -3.443 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.570 8.887 -0.409 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.625 9.932 -1.340 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.845 6.904 -1.335 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.747 7.946 -0.252 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -21.738 9.113 -2.222 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.857 8.039 -3.290 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.362 6.436 -1.466 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.903 8.771 -4.055 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -24.383 7.985 -4.613 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -24.254 5.418 -2.205 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -25.143 6.098 -3.572 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.984 9.660 -2.834 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.973 10.699 -2.831 1.00 0.53 C ATOM 1566 C GLY A 103 -14.337 10.843 -1.465 1.00 0.49 C ATOM 1567 O GLY A 103 -13.393 11.613 -1.276 1.00 0.57 O ATOM 0 H GLY A 103 -15.642 8.726 -3.060 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -14.206 10.465 -3.569 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -15.422 11.647 -3.127 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.861 10.089 -0.511 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.356 10.095 0.850 1.00 0.44 C ATOM 1573 C GLN A 104 -13.713 8.752 1.166 1.00 0.37 C ATOM 1574 O GLN A 104 -14.171 7.713 0.699 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.491 10.403 1.827 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.055 11.803 1.664 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.124 12.118 2.682 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.290 13.265 3.087 1.00 1.31 O ATOM 1579 NE2 GLN A 104 -17.867 11.107 3.091 1.00 0.98 N ATOM 0 H GLN A 104 -15.648 9.457 -0.660 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.599 10.872 0.953 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.291 9.677 1.685 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.127 10.281 2.847 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.247 12.529 1.754 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.470 11.910 0.662 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -17.696 10.169 2.729 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -18.613 11.264 3.769 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.650 8.771 1.942 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.880 7.564 2.198 1.00 0.32 C ATOM 1590 C GLU A 105 -12.276 6.963 3.541 1.00 0.32 C ATOM 1591 O GLU A 105 -12.297 7.656 4.554 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.389 7.899 2.149 1.00 0.40 C ATOM 1593 CG GLU A 105 -10.043 8.814 0.977 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.554 9.063 0.823 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.989 9.850 1.617 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.945 8.510 -0.117 1.00 1.59 O ATOM 0 H GLU A 105 -12.296 9.607 2.408 1.00 0.36 H new ATOM 0 HA GLU A 105 -12.092 6.819 1.431 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.095 8.380 3.082 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.813 6.977 2.070 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -10.427 8.374 0.057 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.551 9.769 1.109 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.606 5.675 3.540 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.154 5.028 4.731 1.00 0.27 C ATOM 1605 C PHE A 106 -12.126 4.163 5.452 1.00 0.26 C ATOM 1606 O PHE A 106 -12.330 3.773 6.599 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.390 4.192 4.374 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.191 3.233 3.231 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.454 3.627 1.929 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.758 1.936 3.457 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.287 2.751 0.877 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.592 1.054 2.404 1.00 0.31 C ATOM 1613 CZ PHE A 106 -13.855 1.464 1.113 1.00 0.31 C ATOM 0 H PHE A 106 -12.505 5.060 2.733 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.444 5.825 5.415 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.697 3.628 5.255 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.209 4.867 4.126 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.794 4.634 1.735 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.548 1.611 4.465 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.495 3.074 -0.132 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.257 0.045 2.592 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.723 0.778 0.290 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.041 3.834 4.780 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.977 3.069 5.402 1.00 0.24 C ATOM 1625 C ILE A 107 -8.654 3.324 4.692 1.00 0.22 C ATOM 1626 O ILE A 107 -8.629 3.675 3.510 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.277 1.548 5.435 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.271 0.831 6.345 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.253 0.957 4.034 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.421 -0.678 6.358 1.00 0.37 C ATOM 0 H ILE A 107 -10.872 4.083 3.805 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.908 3.407 6.436 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.279 1.403 5.840 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.261 1.083 6.023 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.384 1.206 7.362 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.466 -0.111 4.086 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.007 1.448 3.419 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.268 1.109 3.592 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.675 -1.112 7.024 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.418 -0.941 6.710 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.277 -1.067 5.350 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.567 3.168 5.421 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.245 3.285 4.859 1.00 0.24 C ATOM 1644 C ARG A 108 -5.327 2.235 5.469 1.00 0.24 C ATOM 1645 O ARG A 108 -5.104 2.224 6.683 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.710 4.681 5.121 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.261 4.864 4.741 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.770 6.213 5.204 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.050 6.424 6.624 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.890 7.597 7.235 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.597 8.676 6.519 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.053 7.699 8.548 1.00 0.95 N ATOM 0 H ARG A 108 -7.580 2.957 6.419 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.288 3.119 3.783 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.314 5.400 4.568 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.829 4.912 6.180 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.657 4.075 5.189 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.147 4.778 3.660 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.697 6.292 5.027 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.248 6.997 4.617 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.385 5.633 7.174 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.496 8.604 5.507 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.473 9.577 6.981 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.302 6.876 9.096 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.929 8.600 9.009 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.816 1.351 4.631 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.942 0.277 5.087 1.00 0.22 C ATOM 1668 C VAL A 109 -2.478 0.683 4.984 1.00 0.24 C ATOM 1669 O VAL A 109 -1.945 0.804 3.890 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.167 -1.015 4.272 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.071 -2.032 4.556 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.539 -1.603 4.574 1.00 0.27 C ATOM 0 H VAL A 109 -4.990 1.353 3.626 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.190 0.086 6.131 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.126 -0.762 3.212 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.251 -2.934 3.971 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.104 -1.610 4.284 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.073 -2.282 5.617 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.681 -2.513 3.991 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.608 -1.838 5.636 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.311 -0.880 4.311 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.838 0.893 6.123 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.445 1.285 6.127 1.00 0.25 C ATOM 1684 C GLY A 110 0.485 0.141 6.478 1.00 0.21 C ATOM 1685 O GLY A 110 0.477 -0.353 7.606 1.00 0.27 O ATOM 0 H GLY A 110 -2.259 0.799 7.047 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.179 1.675 5.145 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.302 2.096 6.841 1.00 0.25 H new ATOM 1689 N TYR A 111 1.276 -0.291 5.512 1.00 0.23 N ATOM 1690 CA TYR A 111 2.301 -1.292 5.757 1.00 0.24 C ATOM 1691 C TYR A 111 3.671 -0.637 5.802 1.00 0.23 C ATOM 1692 O TYR A 111 4.094 0.005 4.842 1.00 0.27 O ATOM 1693 CB TYR A 111 2.273 -2.382 4.685 1.00 0.32 C ATOM 1694 CG TYR A 111 1.256 -3.467 4.948 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.440 -4.378 5.980 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.117 -3.586 4.163 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.518 -5.377 6.223 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.808 -4.584 4.398 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.605 -5.474 5.429 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.520 -6.473 5.657 1.00 0.40 O ATOM 0 H TYR A 111 1.228 0.037 4.547 1.00 0.23 H new ATOM 0 HA TYR A 111 2.097 -1.759 6.721 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.061 -1.924 3.719 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.262 -2.834 4.613 1.00 0.32 H new ATOM 0 HD1 TYR A 111 2.319 -4.304 6.603 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.048 -2.887 3.356 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.676 -6.078 7.030 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.687 -4.666 3.776 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.521 -6.704 6.609 1.00 0.40 H new ATOM 1710 N TYR A 112 4.352 -0.781 6.924 1.00 0.25 N ATOM 1711 CA TYR A 112 5.683 -0.219 7.072 1.00 0.25 C ATOM 1712 C TYR A 112 6.714 -1.145 6.452 1.00 0.27 C ATOM 1713 O TYR A 112 6.914 -2.265 6.917 1.00 0.33 O ATOM 1714 CB TYR A 112 6.018 0.019 8.545 1.00 0.29 C ATOM 1715 CG TYR A 112 5.219 1.132 9.188 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.889 0.939 9.535 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.790 2.371 9.444 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.150 1.948 10.120 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.058 3.386 10.030 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.764 3.182 10.375 1.00 0.64 C ATOM 1721 OH TYR A 112 3.004 4.179 10.946 1.00 0.78 O ATOM 0 H TYR A 112 4.007 -1.280 7.744 1.00 0.25 H new ATOM 0 HA TYR A 112 5.704 0.741 6.555 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.847 -0.904 9.099 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.079 0.251 8.632 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.424 -0.017 9.344 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.823 2.545 9.181 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.113 1.789 10.378 1.00 0.62 H new ATOM 0 HE2 TYR A 112 5.519 4.345 10.214 1.00 0.60 H new ATOM 0 HH TYR A 112 3.555 4.980 11.069 1.00 0.78 H new ATOM 1731 N VAL A 113 7.353 -0.689 5.393 1.00 0.27 N ATOM 1732 CA VAL A 113 8.375 -1.475 4.739 1.00 0.31 C ATOM 1733 C VAL A 113 9.762 -1.038 5.186 1.00 0.28 C ATOM 1734 O VAL A 113 10.130 0.131 5.082 1.00 0.31 O ATOM 1735 CB VAL A 113 8.272 -1.406 3.198 1.00 0.42 C ATOM 1736 CG1 VAL A 113 8.156 0.027 2.706 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.474 -2.084 2.566 1.00 1.19 C ATOM 0 H VAL A 113 7.181 0.222 4.968 1.00 0.27 H new ATOM 0 HA VAL A 113 8.212 -2.511 5.036 1.00 0.31 H new ATOM 0 HB VAL A 113 7.364 -1.930 2.900 1.00 0.42 H new ATOM 0 HG11 VAL A 113 8.086 0.034 1.618 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.263 0.486 3.130 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.036 0.591 3.016 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.393 -2.031 1.480 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.386 -1.581 2.887 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.508 -3.128 2.876 1.00 1.19 H new ATOM 1747 N ASN A 114 10.517 -1.984 5.713 1.00 0.29 N ATOM 1748 CA ASN A 114 11.888 -1.721 6.108 1.00 0.32 C ATOM 1749 C ASN A 114 12.800 -1.957 4.920 1.00 0.32 C ATOM 1750 O ASN A 114 12.940 -3.086 4.446 1.00 0.35 O ATOM 1751 CB ASN A 114 12.308 -2.606 7.292 1.00 0.42 C ATOM 1752 CG ASN A 114 11.663 -2.199 8.612 1.00 0.84 C ATOM 1753 OD1 ASN A 114 12.230 -2.410 9.683 1.00 1.63 O ATOM 1754 ND2 ASN A 114 10.474 -1.621 8.552 1.00 1.28 N ATOM 0 H ASN A 114 10.204 -2.941 5.877 1.00 0.29 H new ATOM 0 HA ASN A 114 11.968 -0.683 6.432 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.047 -3.641 7.073 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.392 -2.567 7.399 1.00 0.42 H new ATOM 0 HD21 ASN A 114 10.001 -1.337 9.410 1.00 1.28 H new ATOM 0 HD22 ASN A 114 10.030 -1.460 7.648 1.00 1.28 H new ATOM 1761 N ASN A 115 13.395 -0.885 4.427 1.00 0.34 N ATOM 1762 CA ASN A 115 14.231 -0.954 3.247 1.00 0.39 C ATOM 1763 C ASN A 115 15.690 -1.125 3.634 1.00 0.43 C ATOM 1764 O ASN A 115 16.338 -0.200 4.120 1.00 0.50 O ATOM 1765 CB ASN A 115 14.042 0.296 2.387 1.00 0.48 C ATOM 1766 CG ASN A 115 12.716 0.296 1.645 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.209 -0.755 1.249 1.00 0.95 O ATOM 1768 ND2 ASN A 115 12.141 1.474 1.457 1.00 0.60 N ATOM 0 H ASN A 115 13.312 0.048 4.830 1.00 0.34 H new ATOM 0 HA ASN A 115 13.931 -1.823 2.661 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.100 1.181 3.020 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.858 0.365 1.667 1.00 0.48 H new ATOM 0 HD21 ASN A 115 11.247 1.533 0.969 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.592 2.322 1.800 1.00 0.60 H new ATOM 1775 N GLU A 116 16.183 -2.327 3.400 1.00 0.42 N ATOM 1776 CA GLU A 116 17.557 -2.703 3.696 1.00 0.50 C ATOM 1777 C GLU A 116 18.099 -3.494 2.523 1.00 0.45 C ATOM 1778 O GLU A 116 17.361 -4.263 1.911 1.00 0.54 O ATOM 1779 CB GLU A 116 17.631 -3.557 4.971 1.00 0.69 C ATOM 1780 CG GLU A 116 17.381 -2.787 6.258 1.00 1.26 C ATOM 1781 CD GLU A 116 18.550 -1.903 6.647 1.00 1.58 C ATOM 1782 OE1 GLU A 116 18.676 -0.797 6.083 1.00 1.87 O ATOM 1783 OE2 GLU A 116 19.351 -2.308 7.508 1.00 1.97 O ATOM 0 H GLU A 116 15.633 -3.083 2.992 1.00 0.42 H new ATOM 0 HA GLU A 116 18.149 -1.802 3.858 1.00 0.50 H new ATOM 0 HB2 GLU A 116 16.901 -4.363 4.897 1.00 0.69 H new ATOM 0 HB3 GLU A 116 18.615 -4.022 5.026 1.00 0.69 H new ATOM 0 HG2 GLU A 116 16.489 -2.172 6.141 1.00 1.26 H new ATOM 0 HG3 GLU A 116 17.179 -3.492 7.065 1.00 1.26 H new ATOM 1790 N TYR A 117 19.364 -3.300 2.191 1.00 0.46 N ATOM 1791 CA TYR A 117 19.962 -3.995 1.070 1.00 0.46 C ATOM 1792 C TYR A 117 19.970 -5.504 1.302 1.00 0.52 C ATOM 1793 O TYR A 117 19.997 -5.972 2.439 1.00 0.60 O ATOM 1794 CB TYR A 117 21.384 -3.490 0.830 1.00 0.48 C ATOM 1795 CG TYR A 117 21.469 -1.993 0.621 1.00 0.48 C ATOM 1796 CD1 TYR A 117 20.823 -1.388 -0.448 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.181 -1.185 1.498 1.00 0.54 C ATOM 1798 CE1 TYR A 117 20.887 -0.023 -0.641 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.248 0.178 1.312 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.650 0.749 0.229 1.00 0.60 C ATOM 1801 OH TYR A 117 21.661 2.113 0.063 1.00 0.69 O ATOM 0 H TYR A 117 19.994 -2.667 2.683 1.00 0.46 H new ATOM 0 HA TYR A 117 19.360 -3.790 0.185 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.007 -3.765 1.681 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.797 -3.994 -0.044 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.260 -1.996 -1.141 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.690 -1.632 2.339 1.00 0.54 H new ATOM 0 HE1 TYR A 117 20.352 0.440 -1.457 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.775 0.795 2.025 1.00 0.59 H new ATOM 0 HH TYR A 117 22.236 2.521 0.744 1.00 0.69 H new ATOM 1811 N THR A 118 19.957 -6.252 0.212 1.00 0.54 N ATOM 1812 CA THR A 118 19.946 -7.702 0.267 1.00 0.65 C ATOM 1813 C THR A 118 21.342 -8.187 0.562 1.00 0.74 C ATOM 1814 O THR A 118 21.553 -9.233 1.182 1.00 0.84 O ATOM 1815 CB THR A 118 19.475 -8.308 -1.069 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.144 -7.658 -2.162 1.00 0.66 O ATOM 1817 CG2 THR A 118 17.973 -8.174 -1.232 1.00 0.77 C ATOM 0 H THR A 118 19.954 -5.871 -0.734 1.00 0.54 H new ATOM 0 HA THR A 118 19.254 -8.015 1.049 1.00 0.65 H new ATOM 0 HB THR A 118 19.724 -9.369 -1.068 1.00 0.67 H new ATOM 0 HG1 THR A 118 21.015 -8.081 -2.311 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.670 -8.610 -2.184 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.471 -8.696 -0.417 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.698 -7.120 -1.212 1.00 0.77 H new ATOM 1825 N GLU A 119 22.292 -7.391 0.115 1.00 0.78 N ATOM 1826 CA GLU A 119 23.685 -7.686 0.301 1.00 0.92 C ATOM 1827 C GLU A 119 24.088 -7.282 1.705 1.00 0.95 C ATOM 1828 O GLU A 119 24.022 -6.101 2.052 1.00 0.90 O ATOM 1829 CB GLU A 119 24.520 -6.927 -0.721 1.00 1.00 C ATOM 1830 CG GLU A 119 23.837 -6.818 -2.069 1.00 1.29 C ATOM 1831 CD GLU A 119 23.692 -8.141 -2.791 1.00 1.50 C ATOM 1832 OE1 GLU A 119 24.617 -8.514 -3.539 1.00 1.67 O ATOM 1833 OE2 GLU A 119 22.669 -8.828 -2.585 1.00 2.24 O ATOM 0 H GLU A 119 22.112 -6.522 -0.387 1.00 0.78 H new ATOM 0 HA GLU A 119 23.856 -8.754 0.163 1.00 0.92 H new ATOM 0 HB2 GLU A 119 24.729 -5.927 -0.342 1.00 1.00 H new ATOM 0 HB3 GLU A 119 25.480 -7.428 -0.844 1.00 1.00 H new ATOM 0 HG2 GLU A 119 22.848 -6.381 -1.930 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.404 -6.132 -2.698 1.00 1.29 H new ATOM 1840 N THR A 120 24.479 -8.255 2.512 1.00 1.07 N ATOM 1841 CA THR A 120 24.905 -7.994 3.876 1.00 1.14 C ATOM 1842 C THR A 120 26.058 -6.989 3.884 1.00 1.12 C ATOM 1843 O THR A 120 26.194 -6.188 4.804 1.00 1.13 O ATOM 1844 CB THR A 120 25.327 -9.305 4.567 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.312 -10.297 4.353 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.530 -9.101 6.062 1.00 1.41 C ATOM 0 H THR A 120 24.510 -9.238 2.243 1.00 1.07 H new ATOM 0 HA THR A 120 24.068 -7.568 4.429 1.00 1.14 H new ATOM 0 HB THR A 120 26.274 -9.633 4.138 1.00 1.31 H new ATOM 0 HG1 THR A 120 24.576 -11.134 4.789 1.00 1.36 H new ATOM 0 HG21 THR A 120 25.827 -10.044 6.521 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.309 -8.357 6.225 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.599 -8.756 6.512 1.00 1.41 H new ATOM 1854 N GLU A 121 26.851 -7.018 2.817 1.00 1.13 N ATOM 1855 CA GLU A 121 27.941 -6.072 2.625 1.00 1.14 C ATOM 1856 C GLU A 121 27.422 -4.630 2.562 1.00 1.03 C ATOM 1857 O GLU A 121 27.986 -3.724 3.187 1.00 1.09 O ATOM 1858 CB GLU A 121 28.696 -6.421 1.338 1.00 1.18 C ATOM 1859 CG GLU A 121 29.805 -5.445 0.987 1.00 1.27 C ATOM 1860 CD GLU A 121 30.491 -5.800 -0.313 1.00 1.56 C ATOM 1861 OE1 GLU A 121 29.836 -5.751 -1.372 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.685 -6.146 -0.283 1.00 2.05 O ATOM 0 H GLU A 121 26.755 -7.698 2.063 1.00 1.13 H new ATOM 0 HA GLU A 121 28.617 -6.143 3.477 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.123 -7.419 1.439 1.00 1.18 H new ATOM 0 HB3 GLU A 121 27.986 -6.460 0.512 1.00 1.18 H new ATOM 0 HG2 GLU A 121 29.391 -4.439 0.914 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.541 -5.430 1.791 1.00 1.27 H new ATOM 1869 N LEU A 122 26.325 -4.414 1.841 1.00 0.90 N ATOM 1870 CA LEU A 122 25.799 -3.071 1.683 1.00 0.82 C ATOM 1871 C LEU A 122 25.074 -2.641 2.951 1.00 0.82 C ATOM 1872 O LEU A 122 24.841 -1.457 3.182 1.00 0.83 O ATOM 1873 CB LEU A 122 24.877 -2.991 0.466 1.00 0.75 C ATOM 1874 CG LEU A 122 25.546 -3.299 -0.876 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.557 -3.115 -2.014 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.768 -2.415 -1.081 1.00 0.87 C ATOM 0 H LEU A 122 25.793 -5.143 1.365 1.00 0.90 H new ATOM 0 HA LEU A 122 26.630 -2.386 1.514 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.050 -3.686 0.610 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.448 -1.990 0.419 1.00 0.75 H new ATOM 0 HG LEU A 122 25.874 -4.338 -0.868 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.047 -3.338 -2.962 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.713 -3.790 -1.875 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.200 -2.085 -2.023 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.230 -2.649 -2.040 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.466 -1.368 -1.070 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.485 -2.594 -0.280 1.00 0.87 H new ATOM 1888 N ARG A 123 24.733 -3.620 3.779 1.00 0.86 N ATOM 1889 CA ARG A 123 24.144 -3.350 5.080 1.00 0.94 C ATOM 1890 C ARG A 123 25.227 -2.929 6.060 1.00 1.11 C ATOM 1891 O ARG A 123 24.953 -2.265 7.062 1.00 1.19 O ATOM 1892 CB ARG A 123 23.414 -4.581 5.607 1.00 0.98 C ATOM 1893 CG ARG A 123 22.324 -5.073 4.679 1.00 0.89 C ATOM 1894 CD ARG A 123 21.511 -6.183 5.320 1.00 1.00 C ATOM 1895 NE ARG A 123 20.783 -5.712 6.500 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.674 -6.283 6.969 1.00 1.56 C ATOM 1897 NH1 ARG A 123 19.168 -7.348 6.364 1.00 1.82 N ATOM 1898 NH2 ARG A 123 19.068 -5.785 8.040 1.00 2.03 N ATOM 0 H ARG A 123 24.856 -4.611 3.570 1.00 0.86 H new ATOM 0 HA ARG A 123 23.422 -2.541 4.972 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.135 -5.382 5.766 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.977 -4.348 6.578 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.667 -4.244 4.415 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.769 -5.434 3.752 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.804 -6.583 4.593 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.173 -7.001 5.604 1.00 1.00 H new ATOM 0 HE ARG A 123 21.147 -4.897 6.993 1.00 1.20 H new ATOM 0 HH11 ARG A 123 19.627 -7.732 5.538 1.00 1.82 H new ATOM 0 HH12 ARG A 123 18.319 -7.784 6.724 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.451 -4.963 8.507 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.219 -6.225 8.396 1.00 2.03 H new ATOM 1912 N GLU A 124 26.458 -3.332 5.768 1.00 1.20 N ATOM 1913 CA GLU A 124 27.602 -2.903 6.552 1.00 1.39 C ATOM 1914 C GLU A 124 27.842 -1.422 6.319 1.00 1.37 C ATOM 1915 O GLU A 124 28.093 -0.666 7.257 1.00 1.49 O ATOM 1916 CB GLU A 124 28.859 -3.693 6.174 1.00 1.53 C ATOM 1917 CG GLU A 124 28.688 -5.201 6.239 1.00 1.66 C ATOM 1918 CD GLU A 124 28.400 -5.708 7.638 1.00 2.03 C ATOM 1919 OE1 GLU A 124 27.341 -5.350 8.196 1.00 2.06 O ATOM 1920 OE2 GLU A 124 29.236 -6.445 8.197 1.00 2.84 O ATOM 0 H GLU A 124 26.686 -3.955 4.993 1.00 1.20 H new ATOM 0 HA GLU A 124 27.389 -3.087 7.605 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.159 -3.416 5.163 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.672 -3.401 6.839 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.874 -5.497 5.577 1.00 1.66 H new ATOM 0 HG3 GLU A 124 29.593 -5.680 5.865 1.00 1.66 H new ATOM 1927 N ASN A 125 27.738 -1.003 5.061 1.00 1.27 N ATOM 1928 CA ASN A 125 27.946 0.399 4.722 1.00 1.30 C ATOM 1929 C ASN A 125 27.179 0.785 3.465 1.00 1.14 C ATOM 1930 O ASN A 125 27.510 0.352 2.361 1.00 1.10 O ATOM 1931 CB ASN A 125 29.445 0.751 4.585 1.00 1.45 C ATOM 1932 CG ASN A 125 30.207 -0.025 3.510 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.056 0.544 2.818 1.00 2.19 O ATOM 1934 ND2 ASN A 125 29.966 -1.323 3.399 1.00 1.62 N ATOM 0 H ASN A 125 27.514 -1.606 4.270 1.00 1.27 H new ATOM 0 HA ASN A 125 27.552 0.985 5.553 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.532 1.816 4.370 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.930 0.579 5.546 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.489 -1.883 2.726 1.00 1.62 H new ATOM 0 HD22 ASN A 125 29.257 -1.762 3.986 1.00 1.62 H new ATOM 1941 N PRO A 126 26.106 1.576 3.637 1.00 1.13 N ATOM 1942 CA PRO A 126 25.326 2.118 2.522 1.00 1.06 C ATOM 1943 C PRO A 126 26.169 3.025 1.634 1.00 1.09 C ATOM 1944 O PRO A 126 26.804 3.968 2.114 1.00 1.19 O ATOM 1945 CB PRO A 126 24.208 2.920 3.207 1.00 1.15 C ATOM 1946 CG PRO A 126 24.146 2.381 4.593 1.00 1.23 C ATOM 1947 CD PRO A 126 25.553 1.990 4.937 1.00 1.24 C ATOM 0 HA PRO A 126 24.949 1.333 1.866 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.430 3.987 3.207 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.257 2.793 2.690 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.766 3.130 5.288 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.476 1.523 4.651 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.110 2.823 5.366 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.581 1.179 5.665 1.00 1.24 H new ATOM 1955 N PRO A 127 26.193 2.741 0.330 1.00 1.05 N ATOM 1956 CA PRO A 127 26.986 3.500 -0.641 1.00 1.13 C ATOM 1957 C PRO A 127 26.494 4.939 -0.792 1.00 1.19 C ATOM 1958 O PRO A 127 25.383 5.271 -0.372 1.00 1.14 O ATOM 1959 CB PRO A 127 26.799 2.713 -1.948 1.00 1.11 C ATOM 1960 CG PRO A 127 26.276 1.379 -1.525 1.00 1.01 C ATOM 1961 CD PRO A 127 25.448 1.652 -0.312 1.00 0.97 C ATOM 0 HA PRO A 127 28.029 3.594 -0.338 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.100 3.217 -2.616 1.00 1.11 H new ATOM 0 HB3 PRO A 127 27.741 2.615 -2.488 1.00 1.11 H new ATOM 0 HG2 PRO A 127 25.680 0.921 -2.314 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.090 0.690 -1.300 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.432 1.950 -0.571 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.369 0.777 0.333 1.00 0.97 H new ATOM 1969 N VAL A 128 27.341 5.786 -1.381 1.00 1.34 N ATOM 1970 CA VAL A 128 27.041 7.209 -1.567 1.00 1.44 C ATOM 1971 C VAL A 128 25.646 7.421 -2.167 1.00 1.22 C ATOM 1972 O VAL A 128 24.908 8.314 -1.746 1.00 1.28 O ATOM 1973 CB VAL A 128 28.120 7.899 -2.446 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.280 7.192 -3.787 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.798 9.374 -2.652 1.00 2.16 C ATOM 0 H VAL A 128 28.253 5.506 -1.742 1.00 1.34 H new ATOM 0 HA VAL A 128 27.054 7.671 -0.580 1.00 1.44 H new ATOM 0 HB VAL A 128 29.069 7.828 -1.914 1.00 1.71 H new ATOM 0 HG11 VAL A 128 29.042 7.700 -4.377 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.580 6.158 -3.619 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.332 7.212 -4.324 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.570 9.832 -3.271 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.832 9.470 -3.147 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.762 9.877 -1.686 1.00 2.16 H new ATOM 1985 N LYS A 129 25.288 6.594 -3.136 1.00 1.07 N ATOM 1986 CA LYS A 129 23.941 6.599 -3.686 1.00 0.88 C ATOM 1987 C LYS A 129 23.232 5.321 -3.261 1.00 0.76 C ATOM 1988 O LYS A 129 23.732 4.226 -3.529 1.00 0.80 O ATOM 1989 CB LYS A 129 23.976 6.675 -5.216 1.00 1.00 C ATOM 1990 CG LYS A 129 24.774 7.843 -5.770 1.00 1.12 C ATOM 1991 CD LYS A 129 24.156 9.181 -5.404 1.00 1.29 C ATOM 1992 CE LYS A 129 24.929 10.331 -6.028 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.370 11.651 -5.638 1.00 1.96 N ATOM 0 H LYS A 129 25.913 5.908 -3.559 1.00 1.07 H new ATOM 0 HA LYS A 129 23.409 7.473 -3.310 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.397 5.747 -5.604 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.953 6.741 -5.588 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.794 7.798 -5.388 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.836 7.757 -6.855 1.00 1.12 H new ATOM 0 HD2 LYS A 129 23.120 9.210 -5.741 1.00 1.29 H new ATOM 0 HD3 LYS A 129 24.142 9.294 -4.320 1.00 1.29 H new ATOM 0 HE2 LYS A 129 25.974 10.274 -5.722 1.00 1.46 H new ATOM 0 HE3 LYS A 129 24.909 10.235 -7.114 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 24.925 12.409 -6.084 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 23.381 11.716 -5.952 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 24.412 11.754 -4.604 1.00 1.96 H new ATOM 2007 N PRO A 130 22.079 5.426 -2.584 1.00 0.66 N ATOM 2008 CA PRO A 130 21.320 4.250 -2.166 1.00 0.57 C ATOM 2009 C PRO A 130 20.942 3.388 -3.362 1.00 0.52 C ATOM 2010 O PRO A 130 20.574 3.904 -4.419 1.00 0.64 O ATOM 2011 CB PRO A 130 20.073 4.821 -1.486 1.00 0.55 C ATOM 2012 CG PRO A 130 20.006 6.251 -1.912 1.00 0.64 C ATOM 2013 CD PRO A 130 21.423 6.679 -2.179 1.00 0.71 C ATOM 0 HA PRO A 130 21.894 3.603 -1.502 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.177 4.279 -1.789 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.144 4.737 -0.402 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.391 6.362 -2.805 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.554 6.867 -1.135 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.475 7.433 -2.964 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.888 7.109 -1.292 1.00 0.71 H new ATOM 2021 N ASP A 131 21.032 2.082 -3.193 1.00 0.45 N ATOM 2022 CA ASP A 131 20.882 1.172 -4.318 1.00 0.45 C ATOM 2023 C ASP A 131 19.543 0.455 -4.252 1.00 0.39 C ATOM 2024 O ASP A 131 19.316 -0.376 -3.374 1.00 0.39 O ATOM 2025 CB ASP A 131 22.026 0.157 -4.341 1.00 0.53 C ATOM 2026 CG ASP A 131 22.157 -0.524 -5.685 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.256 -1.312 -6.052 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.156 -0.285 -6.384 1.00 1.06 O ATOM 0 H ASP A 131 21.207 1.628 -2.296 1.00 0.45 H new ATOM 0 HA ASP A 131 20.916 1.756 -5.237 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.962 0.661 -4.098 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.859 -0.594 -3.569 1.00 0.53 H new ATOM 2033 N PHE A 132 18.663 0.791 -5.182 1.00 0.38 N ATOM 2034 CA PHE A 132 17.318 0.239 -5.212 1.00 0.35 C ATOM 2035 C PHE A 132 17.326 -1.166 -5.804 1.00 0.37 C ATOM 2036 O PHE A 132 16.482 -1.999 -5.475 1.00 0.38 O ATOM 2037 CB PHE A 132 16.389 1.154 -6.016 1.00 0.38 C ATOM 2038 CG PHE A 132 16.273 2.540 -5.444 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.251 3.492 -5.688 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.182 2.895 -4.665 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.141 4.767 -5.168 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.065 4.167 -4.145 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.071 5.099 -4.375 1.00 0.46 C ATOM 0 H PHE A 132 18.860 1.451 -5.934 1.00 0.38 H new ATOM 0 HA PHE A 132 16.947 0.176 -4.189 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.755 1.221 -7.040 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.397 0.703 -6.061 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.109 3.234 -6.292 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.413 2.165 -4.463 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.899 5.505 -5.386 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.197 4.438 -3.562 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.011 6.082 -3.931 1.00 0.46 H new ATOM 2053 N SER A 133 18.295 -1.427 -6.668 1.00 0.42 N ATOM 2054 CA SER A 133 18.429 -2.731 -7.305 1.00 0.47 C ATOM 2055 C SER A 133 19.077 -3.750 -6.367 1.00 0.48 C ATOM 2056 O SER A 133 19.194 -4.930 -6.698 1.00 0.62 O ATOM 2057 CB SER A 133 19.233 -2.596 -8.599 1.00 0.54 C ATOM 2058 OG SER A 133 20.344 -1.731 -8.423 1.00 1.46 O ATOM 0 H SER A 133 19.005 -0.749 -6.946 1.00 0.42 H new ATOM 0 HA SER A 133 17.431 -3.099 -7.543 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.580 -3.578 -8.919 1.00 0.54 H new ATOM 0 HB3 SER A 133 18.591 -2.211 -9.391 1.00 0.54 H new ATOM 0 HG SER A 133 20.813 -1.965 -7.595 1.00 1.46 H new ATOM 2064 N LYS A 134 19.490 -3.286 -5.197 1.00 0.40 N ATOM 2065 CA LYS A 134 20.070 -4.150 -4.178 1.00 0.43 C ATOM 2066 C LYS A 134 19.284 -4.013 -2.899 1.00 0.39 C ATOM 2067 O LYS A 134 19.689 -4.496 -1.850 1.00 0.46 O ATOM 2068 CB LYS A 134 21.528 -3.778 -3.913 1.00 0.48 C ATOM 2069 CG LYS A 134 22.493 -4.247 -4.993 1.00 0.65 C ATOM 2070 CD LYS A 134 22.513 -5.764 -5.109 1.00 0.78 C ATOM 2071 CE LYS A 134 23.545 -6.236 -6.123 1.00 1.00 C ATOM 2072 NZ LYS A 134 23.688 -7.717 -6.128 1.00 1.87 N ATOM 0 H LYS A 134 19.433 -2.304 -4.927 1.00 0.40 H new ATOM 0 HA LYS A 134 20.032 -5.179 -4.535 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.604 -2.695 -3.818 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.833 -4.204 -2.957 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.207 -3.812 -5.951 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.496 -3.886 -4.766 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.733 -6.201 -4.135 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.525 -6.120 -5.402 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.257 -5.897 -7.118 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.509 -5.780 -5.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 24.324 -8.002 -6.900 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 24.085 -8.030 -5.219 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 22.755 -8.155 -6.268 1.00 1.87 H new ATOM 2086 N LEU A 135 18.154 -3.351 -3.003 1.00 0.41 N ATOM 2087 CA LEU A 135 17.352 -3.029 -1.848 1.00 0.40 C ATOM 2088 C LEU A 135 16.238 -4.054 -1.687 1.00 0.41 C ATOM 2089 O LEU A 135 15.572 -4.405 -2.659 1.00 0.46 O ATOM 2090 CB LEU A 135 16.775 -1.626 -2.024 1.00 0.41 C ATOM 2091 CG LEU A 135 16.144 -1.008 -0.787 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.187 -0.827 0.305 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.502 0.324 -1.137 1.00 0.74 C ATOM 0 H LEU A 135 17.767 -3.022 -3.888 1.00 0.41 H new ATOM 0 HA LEU A 135 17.967 -3.054 -0.948 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.572 -0.967 -2.370 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.024 -1.659 -2.813 1.00 0.41 H new ATOM 0 HG LEU A 135 15.370 -1.680 -0.415 1.00 0.36 H new ATOM 0 HD11 LEU A 135 16.720 -0.383 1.184 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.610 -1.796 0.569 1.00 0.79 H new ATOM 0 HD13 LEU A 135 17.980 -0.171 -0.054 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.053 0.758 -0.243 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.261 1.002 -1.527 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.731 0.169 -1.892 1.00 0.74 H new ATOM 2105 N GLN A 136 16.057 -4.553 -0.478 1.00 0.40 N ATOM 2106 CA GLN A 136 14.992 -5.500 -0.200 1.00 0.41 C ATOM 2107 C GLN A 136 13.908 -4.827 0.612 1.00 0.38 C ATOM 2108 O GLN A 136 14.194 -4.051 1.524 1.00 0.44 O ATOM 2109 CB GLN A 136 15.510 -6.712 0.569 1.00 0.46 C ATOM 2110 CG GLN A 136 14.524 -7.867 0.577 1.00 0.58 C ATOM 2111 CD GLN A 136 14.866 -8.950 1.578 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.582 -10.124 1.351 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.456 -8.566 2.698 1.00 0.72 N ATOM 0 H GLN A 136 16.635 -4.318 0.329 1.00 0.40 H new ATOM 0 HA GLN A 136 14.592 -5.841 -1.155 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.449 -7.044 0.126 1.00 0.46 H new ATOM 0 HB3 GLN A 136 15.729 -6.419 1.596 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.528 -7.482 0.797 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.483 -8.305 -0.420 1.00 0.58 H new ATOM 0 HE21 GLN A 136 15.675 -7.581 2.847 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.692 -9.255 3.412 1.00 0.72 H new ATOM 2122 N ARG A 137 12.669 -5.126 0.281 1.00 0.36 N ATOM 2123 CA ARG A 137 11.554 -4.602 1.030 1.00 0.35 C ATOM 2124 C ARG A 137 11.125 -5.601 2.088 1.00 0.35 C ATOM 2125 O ARG A 137 10.554 -6.649 1.763 1.00 0.39 O ATOM 2126 CB ARG A 137 10.374 -4.295 0.113 1.00 0.43 C ATOM 2127 CG ARG A 137 10.710 -3.367 -1.042 1.00 1.02 C ATOM 2128 CD ARG A 137 9.450 -2.911 -1.757 1.00 1.29 C ATOM 2129 NE ARG A 137 8.538 -4.026 -2.022 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.145 -4.390 -3.238 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.605 -3.744 -4.300 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.296 -5.403 -3.389 1.00 2.05 N ATOM 0 H ARG A 137 12.412 -5.728 -0.501 1.00 0.36 H new ATOM 0 HA ARG A 137 11.873 -3.676 1.508 1.00 0.35 H new ATOM 0 HB2 ARG A 137 9.987 -5.231 -0.288 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.575 -3.847 0.704 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.255 -2.500 -0.670 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.367 -3.879 -1.745 1.00 1.02 H new ATOM 0 HD2 ARG A 137 8.940 -2.161 -1.152 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.720 -2.431 -2.698 1.00 1.29 H new ATOM 0 HE ARG A 137 8.183 -4.555 -1.225 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.259 -2.970 -4.182 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.305 -4.021 -5.235 1.00 2.82 H new ATOM 0 HH21 ARG A 137 6.946 -5.901 -2.571 1.00 2.05 H new ATOM 0 HH22 ARG A 137 6.995 -5.681 -4.323 1.00 2.05 H new ATOM 2146 N ASN A 138 11.438 -5.291 3.339 1.00 0.35 N ATOM 2147 CA ASN A 138 10.961 -6.084 4.460 1.00 0.39 C ATOM 2148 C ASN A 138 9.689 -5.455 5.006 1.00 0.39 C ATOM 2149 O ASN A 138 9.722 -4.617 5.906 1.00 0.49 O ATOM 2150 CB ASN A 138 12.013 -6.200 5.570 1.00 0.45 C ATOM 2151 CG ASN A 138 11.556 -7.101 6.708 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.828 -8.303 6.711 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.849 -6.526 7.673 1.00 0.67 N ATOM 0 H ASN A 138 12.020 -4.496 3.601 1.00 0.35 H new ATOM 0 HA ASN A 138 10.758 -7.094 4.104 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.940 -6.591 5.150 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.235 -5.208 5.962 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.508 -7.083 8.457 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.647 -5.527 7.631 1.00 0.67 H new ATOM 2160 N ILE A 139 8.581 -5.832 4.415 1.00 0.37 N ATOM 2161 CA ILE A 139 7.284 -5.305 4.783 1.00 0.36 C ATOM 2162 C ILE A 139 6.835 -5.885 6.120 1.00 0.37 C ATOM 2163 O ILE A 139 6.795 -7.103 6.298 1.00 0.46 O ATOM 2164 CB ILE A 139 6.261 -5.640 3.679 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.760 -5.089 2.340 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.881 -5.100 4.015 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.905 -5.479 1.153 1.00 0.48 C ATOM 0 H ILE A 139 8.551 -6.517 3.660 1.00 0.37 H new ATOM 0 HA ILE A 139 7.354 -4.222 4.888 1.00 0.36 H new ATOM 0 HB ILE A 139 6.167 -6.723 3.606 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.804 -4.002 2.401 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.778 -5.440 2.172 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.186 -5.355 3.215 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.535 -5.541 4.950 1.00 0.43 H new ATOM 0 HG23 ILE A 139 4.930 -4.016 4.121 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.326 -5.049 0.244 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.881 -6.565 1.063 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.892 -5.104 1.296 1.00 0.48 H new ATOM 2179 N LEU A 140 6.532 -5.015 7.066 1.00 0.35 N ATOM 2180 CA LEU A 140 6.060 -5.449 8.369 1.00 0.39 C ATOM 2181 C LEU A 140 4.597 -5.859 8.286 1.00 0.36 C ATOM 2182 O LEU A 140 3.701 -5.069 8.569 1.00 0.37 O ATOM 2183 CB LEU A 140 6.243 -4.344 9.408 1.00 0.47 C ATOM 2184 CG LEU A 140 7.685 -3.886 9.624 1.00 0.54 C ATOM 2185 CD1 LEU A 140 7.736 -2.756 10.638 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.559 -5.045 10.077 1.00 0.99 C ATOM 0 H LEU A 140 6.604 -4.003 6.957 1.00 0.35 H new ATOM 0 HA LEU A 140 6.651 -6.310 8.680 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.646 -3.483 9.108 1.00 0.47 H new ATOM 0 HB3 LEU A 140 5.843 -4.693 10.360 1.00 0.47 H new ATOM 0 HG LEU A 140 8.072 -3.519 8.673 1.00 0.54 H new ATOM 0 HD11 LEU A 140 8.770 -2.441 10.780 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.147 -1.914 10.274 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.328 -3.101 11.588 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.581 -4.694 10.224 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.174 -5.446 11.015 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.549 -5.827 9.317 1.00 0.99 H new ATOM 2198 N ALA A 141 4.367 -7.095 7.872 1.00 0.39 N ATOM 2199 CA ALA A 141 3.017 -7.603 7.699 1.00 0.42 C ATOM 2200 C ALA A 141 2.446 -8.072 9.027 1.00 0.49 C ATOM 2201 O ALA A 141 1.237 -8.241 9.172 1.00 0.55 O ATOM 2202 CB ALA A 141 3.001 -8.728 6.677 1.00 0.48 C ATOM 0 H ALA A 141 5.102 -7.767 7.649 1.00 0.39 H new ATOM 0 HA ALA A 141 2.388 -6.794 7.328 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.982 -9.098 6.559 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.365 -8.355 5.720 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.644 -9.539 7.019 1.00 0.48 H new ATOM 2208 N SER A 142 3.324 -8.276 9.998 1.00 0.52 N ATOM 2209 CA SER A 142 2.899 -8.642 11.337 1.00 0.62 C ATOM 2210 C SER A 142 2.409 -7.404 12.081 1.00 0.61 C ATOM 2211 O SER A 142 1.784 -7.508 13.138 1.00 0.70 O ATOM 2212 CB SER A 142 4.051 -9.304 12.097 1.00 0.72 C ATOM 2213 OG SER A 142 3.635 -9.766 13.372 1.00 1.42 O ATOM 0 H SER A 142 4.334 -8.194 9.882 1.00 0.52 H new ATOM 0 HA SER A 142 2.079 -9.357 11.267 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.440 -10.140 11.515 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.867 -8.591 12.216 1.00 0.72 H new ATOM 0 HG SER A 142 2.814 -9.300 13.637 1.00 1.42 H new ATOM 2219 N ASN A 143 2.689 -6.235 11.514 1.00 0.56 N ATOM 2220 CA ASN A 143 2.264 -4.968 12.097 1.00 0.60 C ATOM 2221 C ASN A 143 1.377 -4.201 11.121 1.00 0.49 C ATOM 2222 O ASN A 143 1.846 -3.317 10.404 1.00 0.49 O ATOM 2223 CB ASN A 143 3.472 -4.107 12.484 1.00 0.74 C ATOM 2224 CG ASN A 143 4.161 -4.578 13.751 1.00 1.25 C ATOM 2225 OD1 ASN A 143 3.815 -4.148 14.849 1.00 1.87 O ATOM 2226 ND2 ASN A 143 5.147 -5.453 13.614 1.00 1.91 N ATOM 0 H ASN A 143 3.213 -6.139 10.644 1.00 0.56 H new ATOM 0 HA ASN A 143 1.694 -5.192 12.998 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.191 -4.111 11.664 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.147 -3.075 12.617 1.00 0.74 H new ATOM 0 HD21 ASN A 143 5.646 -5.792 14.436 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.407 -5.788 12.686 1.00 1.91 H new ATOM 2233 N PRO A 144 0.082 -4.541 11.064 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.855 -3.885 10.164 1.00 0.43 C ATOM 2235 C PRO A 144 -1.368 -2.565 10.736 1.00 0.39 C ATOM 2236 O PRO A 144 -2.168 -2.550 11.674 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.985 -4.904 10.036 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.966 -5.683 11.311 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.566 -5.589 11.871 1.00 0.60 C ATOM 0 HA PRO A 144 -0.401 -3.618 9.209 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.946 -4.409 9.893 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.831 -5.555 9.176 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.691 -5.281 12.018 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -2.239 -6.723 11.131 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.578 -5.326 12.929 1.00 0.60 H new ATOM 0 HD3 PRO A 144 -0.039 -6.539 11.785 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.892 -1.462 10.179 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.296 -0.140 10.637 1.00 0.33 C ATOM 2249 C ARG A 145 -2.577 0.266 9.924 1.00 0.30 C ATOM 2250 O ARG A 145 -2.553 0.686 8.769 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.175 0.872 10.374 1.00 0.41 C ATOM 2252 CG ARG A 145 -0.274 2.157 11.185 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.159 3.197 10.517 1.00 1.21 C ATOM 2254 NE ARG A 145 -1.182 4.442 11.281 1.00 1.63 N ATOM 2255 CZ ARG A 145 -1.217 5.661 10.742 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -1.269 5.816 9.426 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -1.200 6.729 11.529 1.00 3.15 N ATOM 0 H ARG A 145 -0.224 -1.455 9.408 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.483 -0.162 11.711 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.782 0.397 10.587 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.175 1.127 9.314 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.669 1.929 12.175 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.724 2.571 11.328 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -0.796 3.393 9.508 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -2.173 2.808 10.421 1.00 1.21 H new ATOM 0 HE ARG A 145 -1.170 4.374 12.299 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -1.283 4.998 8.816 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -1.295 6.753 9.023 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -1.160 6.616 12.542 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -1.227 7.664 11.121 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.693 0.123 10.609 1.00 0.36 N ATOM 2272 CA VAL A 146 -4.988 0.333 9.991 1.00 0.39 C ATOM 2273 C VAL A 146 -5.668 1.576 10.545 1.00 0.40 C ATOM 2274 O VAL A 146 -6.121 1.591 11.688 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.913 -0.888 10.196 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.264 -0.662 9.532 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.258 -2.155 9.663 1.00 1.11 C ATOM 0 H VAL A 146 -3.730 -0.138 11.594 1.00 0.36 H new ATOM 0 HA VAL A 146 -4.812 0.469 8.924 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.077 -1.012 11.266 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -7.898 -1.535 9.690 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -7.741 0.216 9.967 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.122 -0.505 8.463 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -5.926 -3.002 9.817 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.057 -2.040 8.598 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.321 -2.330 10.192 1.00 1.11 H new ATOM 2287 N THR A 147 -5.713 2.622 9.738 1.00 0.40 N ATOM 2288 CA THR A 147 -6.469 3.807 10.082 1.00 0.42 C ATOM 2289 C THR A 147 -7.778 3.800 9.326 1.00 0.35 C ATOM 2290 O THR A 147 -7.799 3.941 8.103 1.00 0.33 O ATOM 2291 CB THR A 147 -5.709 5.103 9.747 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.345 5.009 10.175 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.367 6.300 10.420 1.00 0.52 C ATOM 0 H THR A 147 -5.233 2.672 8.839 1.00 0.40 H new ATOM 0 HA THR A 147 -6.638 3.786 11.159 1.00 0.42 H new ATOM 0 HB THR A 147 -5.739 5.240 8.666 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.156 5.718 10.825 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.815 7.206 10.171 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.395 6.394 10.071 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.362 6.158 11.501 1.00 0.52 H new ATOM 2301 N ARG A 148 -8.861 3.611 10.042 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.164 3.589 9.422 1.00 0.34 C ATOM 2303 C ARG A 148 -10.936 4.857 9.756 1.00 0.37 C ATOM 2304 O ARG A 148 -10.799 5.422 10.842 1.00 0.47 O ATOM 2305 CB ARG A 148 -10.947 2.336 9.830 1.00 0.42 C ATOM 2306 CG ARG A 148 -10.825 1.994 11.310 1.00 0.57 C ATOM 2307 CD ARG A 148 -11.562 0.709 11.656 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.003 0.914 11.783 1.00 1.48 N ATOM 2309 CZ ARG A 148 -13.921 0.007 11.449 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.560 -1.147 10.899 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.208 0.261 11.663 1.00 3.00 N ATOM 0 H ARG A 148 -8.866 3.471 11.052 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.028 3.552 8.341 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -11.999 2.480 9.585 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.595 1.490 9.240 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -9.772 1.891 11.574 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -11.225 2.814 11.907 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -11.370 -0.037 10.884 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -11.170 0.308 12.591 1.00 0.88 H new ATOM 0 HE ARG A 148 -13.327 1.808 12.151 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -12.574 -1.345 10.729 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.269 -1.835 10.646 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -15.490 1.147 12.081 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -15.913 -0.430 11.409 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.731 5.293 8.801 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.446 6.554 8.889 1.00 0.36 C ATOM 2327 C PHE A 149 -13.952 6.311 8.826 1.00 0.38 C ATOM 2328 O PHE A 149 -14.404 5.278 8.331 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.033 7.460 7.724 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.552 7.490 7.458 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.712 8.330 8.171 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.004 6.673 6.483 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.353 8.350 7.914 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.651 6.690 6.222 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.824 7.527 6.937 1.00 0.40 C ATOM 0 H PHE A 149 -11.902 4.781 7.936 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.199 7.033 9.836 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.546 7.128 6.821 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.374 8.475 7.929 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.122 8.975 8.934 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.646 6.013 5.919 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.706 9.008 8.476 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.240 6.048 5.457 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.763 7.541 6.735 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.727 7.253 9.338 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.179 7.193 9.217 1.00 0.51 C ATOM 2347 C HIS A 150 -16.637 8.180 8.151 1.00 0.52 C ATOM 2348 O HIS A 150 -16.341 9.371 8.239 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.853 7.495 10.561 1.00 0.64 C ATOM 2350 CG HIS A 150 -16.503 6.509 11.637 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -16.075 6.881 12.891 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -16.517 5.156 11.635 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -15.838 5.803 13.613 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -16.100 4.742 12.875 1.00 2.73 N ATOM 0 H HIS A 150 -14.378 8.069 9.841 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.470 6.185 8.922 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.566 8.495 10.887 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -17.934 7.503 10.423 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -16.803 4.520 10.810 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -15.489 5.791 14.635 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -16.008 3.772 13.177 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.341 7.691 7.137 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.718 8.520 6.012 1.00 0.50 C ATOM 2365 C ILE A 151 -19.162 8.288 5.613 1.00 0.49 C ATOM 2366 O ILE A 151 -19.911 7.570 6.275 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.847 8.251 4.766 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.036 6.811 4.281 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.385 8.528 5.061 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.488 6.566 2.892 1.00 0.64 C ATOM 0 H ILE A 151 -17.660 6.724 7.076 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.572 9.547 6.346 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.167 8.927 3.973 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.547 6.133 4.981 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.099 6.569 4.292 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.790 8.332 4.169 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.264 9.571 5.355 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.048 7.881 5.871 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.656 5.526 2.613 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.994 7.219 2.181 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.419 6.776 2.880 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.519 8.902 4.511 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.827 8.772 3.914 1.00 0.51 C ATOM 2384 C ASN A 152 -20.799 7.710 2.839 1.00 0.49 C ATOM 2385 O ASN A 152 -20.127 7.865 1.824 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.224 10.101 3.301 1.00 0.62 C ATOM 2387 CG ASN A 152 -22.157 10.896 4.179 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -22.991 10.340 4.890 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -22.013 12.204 4.145 1.00 1.33 N ATOM 0 H ASN A 152 -18.895 9.520 3.992 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.549 8.485 4.679 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -20.327 10.689 3.107 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.703 9.923 2.338 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -22.607 12.798 4.724 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.307 12.624 3.540 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.490 6.622 3.085 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.637 5.578 2.087 1.00 0.59 C ATOM 2398 C TRP A 153 -22.846 5.863 1.215 1.00 0.72 C ATOM 2399 O TRP A 153 -22.931 5.418 0.072 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.782 4.216 2.761 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.570 3.804 3.532 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.242 4.180 4.801 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.527 2.930 3.086 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.055 3.600 5.170 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.596 2.827 4.136 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -19.291 2.229 1.901 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.447 2.047 4.034 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -18.153 1.453 1.803 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.244 1.369 2.863 1.00 0.53 C ATOM 0 H TRP A 153 -21.962 6.432 3.969 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.745 5.561 1.461 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.640 4.241 3.433 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -21.994 3.464 2.001 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.830 4.838 5.424 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.589 3.724 6.069 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.986 2.293 1.077 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.742 1.980 4.849 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.962 0.902 0.894 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.362 0.755 2.755 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.759 6.651 1.750 1.00 0.80 N ATOM 2421 CA GLU A 154 -25.014 6.915 1.084 1.00 0.99 C ATOM 2422 C GLU A 154 -25.047 8.361 0.641 1.00 0.96 C ATOM 2423 O GLU A 154 -24.447 9.226 1.282 1.00 1.23 O ATOM 2424 CB GLU A 154 -26.191 6.639 2.018 1.00 1.23 C ATOM 2425 CG GLU A 154 -26.188 5.242 2.620 1.00 1.48 C ATOM 2426 CD GLU A 154 -26.234 4.150 1.572 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -27.340 3.813 1.101 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -25.163 3.636 1.196 1.00 2.32 O ATOM 0 H GLU A 154 -23.651 7.120 2.649 1.00 0.80 H new ATOM 0 HA GLU A 154 -25.099 6.257 0.219 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.181 7.371 2.825 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -27.120 6.784 1.467 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.293 5.116 3.230 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -27.045 5.137 3.286 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.734 8.630 -0.449 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.883 9.996 -0.916 1.00 1.07 C ATOM 2437 C ASP A 155 -27.147 10.589 -0.314 1.00 1.02 C ATOM 2438 O ASP A 155 -28.164 10.763 -0.986 1.00 1.15 O ATOM 2439 CB ASP A 155 -25.920 10.028 -2.442 1.00 1.41 C ATOM 2440 CG ASP A 155 -25.885 11.433 -3.012 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -24.898 12.160 -2.768 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -26.831 11.807 -3.739 1.00 1.86 O ATOM 0 H ASP A 155 -26.196 7.928 -1.026 1.00 0.99 H new ATOM 0 HA ASP A 155 -25.031 10.596 -0.597 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.072 9.464 -2.831 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -26.823 9.525 -2.788 1.00 1.41 H new ATOM 2447 N ASN A 156 -27.081 10.843 0.988 1.00 1.06 N ATOM 2448 CA ASN A 156 -28.213 11.363 1.746 1.00 1.31 C ATOM 2449 C ASN A 156 -27.835 12.688 2.385 1.00 1.59 C ATOM 2450 O ASN A 156 -28.409 13.724 2.000 1.00 2.09 O ATOM 2451 CB ASN A 156 -28.655 10.375 2.841 1.00 1.55 C ATOM 2452 CG ASN A 156 -29.454 9.183 2.329 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -30.288 8.633 3.049 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -29.221 8.777 1.090 1.00 2.27 N ATOM 2455 OXT ASN A 156 -26.936 12.691 3.253 1.00 2.05 O ATOM 0 H ASN A 156 -26.241 10.694 1.548 1.00 1.06 H new ATOM 0 HA ASN A 156 -29.045 11.505 1.056 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -27.770 10.007 3.360 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -29.256 10.911 3.576 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -29.739 7.987 0.706 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -28.523 9.255 0.520 1.00 2.27 H new