USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=34 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 104 GLN :FLIP amide:sc= -0.322 F(o=-1.7,f=0.33) USER MOD Set 1.2: A 152 ASN : amide:sc= 0.651 K(o=0.33,f=-0.45) USER MOD Set 2.1: A 30 CYS SG : rot -170:sc= -1.26 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.781 K(o=-0.48,f=-3.3!) USER MOD Set 3.1: A 44 TYR OH : rot 150:sc= 1.65 USER MOD Set 3.2: A 93 THR OG1 : rot 124:sc= 1.39 USER MOD Set 3.3: A 115 ASN : amide:sc= 0.897 K(o=3.9,f=2.6) USER MOD Set 4.1: A 8 ASN :FLIP amide:sc= 0 F(o=-1.6,f=-0.78) USER MOD Set 4.2: A 27 THR OG1 : rot 82:sc= -0.781 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= 2.4 (180deg=2.24) USER MOD Single : A 5 GLN : amide:sc= 1.39 K(o=1.4,f=-7.4!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.191 K(o=0.19,f=-3.1!) USER MOD Single : A 16 SER OG : rot 91:sc= 1.3 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 23 GLN :FLIP amide:sc= -2.4! C(o=-7.5!,f=-2.4!) USER MOD Single : A 35 SER OG : rot -36:sc= 0.196 USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.19) USER MOD Single : A 47 SER OG : rot 41:sc= 0.124! USER MOD Single : A 50 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.03 K(o=-1,f=-4.6!) USER MOD Single : A 59 SER OG : rot 41:sc= 0.0283 USER MOD Single : A 71 MET CE :methyl 170:sc=-0.00242 (180deg=-0.136) USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0996 F(o=-1,f=-0.1) USER MOD Single : A 80 ASN : amide:sc= -0.0837 K(o=-0.084,f=-2.7!) USER MOD Single : A 98 THR OG1 : rot 158:sc= 1.19 USER MOD Single : A 99 CYS SG : rot -80:sc= -0.42 USER MOD Single : A 100 THR OG1 : rot 132:sc= 1.22 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.255 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.104 USER MOD Single : A 112 TYR OH : rot 180:sc= 1.16 USER MOD Single : A 114 ASN :FLIP amide:sc= -0.0233 F(o=-2.3!,f=-0.023) USER MOD Single : A 117 TYR OH : rot 180:sc= -3.39! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.1) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.627) USER MOD Single : A 136 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.0069) USER MOD Single : A 138 ASN : amide:sc= -0.694 K(o=-0.69,f=-3.5!) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 147 THR OG1 : rot -108:sc= 0.843 USER MOD Single : A 150 HIS :FLIP no HD1:sc= -0.0964 F(o=-0.64,f=-0.096) USER MOD Single : A 156 ASN : amide:sc=-0.000383 K(o=-0.00038,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -21.228 0.851 6.763 1.00 0.91 N ATOM 19 CA ALA A 2 -20.006 0.297 6.208 1.00 0.66 C ATOM 20 C ALA A 2 -20.345 -0.774 5.186 1.00 0.57 C ATOM 21 O ALA A 2 -20.729 -1.887 5.533 1.00 0.68 O ATOM 22 CB ALA A 2 -19.112 -0.252 7.304 1.00 1.48 C ATOM 0 HA ALA A 2 -19.454 1.092 5.707 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.204 -0.661 6.862 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -18.850 0.549 7.995 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.639 -1.039 7.843 1.00 1.48 H new ATOM 28 N LYS A 3 -20.215 -0.409 3.924 1.00 0.46 N ATOM 29 CA LYS A 3 -20.652 -1.256 2.825 1.00 0.45 C ATOM 30 C LYS A 3 -19.525 -2.165 2.337 1.00 0.35 C ATOM 31 O LYS A 3 -19.749 -3.073 1.543 1.00 0.36 O ATOM 32 CB LYS A 3 -21.188 -0.360 1.707 1.00 0.54 C ATOM 33 CG LYS A 3 -22.362 0.490 2.181 1.00 0.82 C ATOM 34 CD LYS A 3 -22.535 1.764 1.375 1.00 0.81 C ATOM 35 CE LYS A 3 -23.579 2.676 2.010 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.971 2.161 1.855 1.00 0.98 N ATOM 0 H LYS A 3 -19.806 0.478 3.631 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.447 -1.919 3.166 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.390 0.290 1.347 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -21.502 -0.977 0.865 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -23.277 -0.099 2.121 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.217 0.747 3.230 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.582 2.288 1.308 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -22.835 1.516 0.357 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.356 2.792 3.071 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.511 3.666 1.560 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.648 2.930 2.037 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -25.104 1.805 0.887 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.133 1.389 2.533 1.00 0.98 H new ATOM 50 N VAL A 4 -18.324 -1.926 2.847 1.00 0.32 N ATOM 51 CA VAL A 4 -17.162 -2.755 2.550 1.00 0.29 C ATOM 52 C VAL A 4 -16.323 -2.908 3.808 1.00 0.33 C ATOM 53 O VAL A 4 -15.911 -1.921 4.417 1.00 0.45 O ATOM 54 CB VAL A 4 -16.296 -2.175 1.396 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.829 -2.570 1.539 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.817 -2.655 0.052 1.00 0.27 C ATOM 0 H VAL A 4 -18.127 -1.150 3.480 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.523 -3.728 2.215 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.367 -1.089 1.452 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.256 -2.146 0.714 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.440 -2.190 2.484 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.741 -3.656 1.521 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -16.201 -2.241 -0.746 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.777 -3.744 0.014 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.848 -2.325 -0.077 1.00 0.27 H new ATOM 66 N GLN A 5 -16.108 -4.145 4.210 1.00 0.30 N ATOM 67 CA GLN A 5 -15.313 -4.438 5.383 1.00 0.34 C ATOM 68 C GLN A 5 -14.209 -5.425 5.033 1.00 0.31 C ATOM 69 O GLN A 5 -14.467 -6.614 4.839 1.00 0.32 O ATOM 70 CB GLN A 5 -16.209 -5.002 6.488 1.00 0.41 C ATOM 71 CG GLN A 5 -15.466 -5.446 7.738 1.00 0.72 C ATOM 72 CD GLN A 5 -14.723 -4.321 8.430 1.00 0.81 C ATOM 73 OE1 GLN A 5 -15.286 -3.616 9.267 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.441 -4.177 8.129 1.00 1.39 N ATOM 0 H GLN A 5 -16.477 -4.969 3.736 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.851 -3.519 5.743 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.942 -4.244 6.766 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.764 -5.851 6.090 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -16.177 -5.885 8.437 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.757 -6.229 7.471 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.010 -4.781 7.429 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.884 -3.462 8.597 1.00 1.39 H new ATOM 83 N VAL A 6 -12.987 -4.926 4.913 1.00 0.32 N ATOM 84 CA VAL A 6 -11.850 -5.792 4.641 1.00 0.34 C ATOM 85 C VAL A 6 -11.578 -6.667 5.855 1.00 0.38 C ATOM 86 O VAL A 6 -11.816 -6.256 6.994 1.00 0.60 O ATOM 87 CB VAL A 6 -10.569 -4.999 4.275 1.00 0.38 C ATOM 88 CG1 VAL A 6 -10.857 -3.958 3.206 1.00 1.12 C ATOM 89 CG2 VAL A 6 -9.945 -4.354 5.502 1.00 1.32 C ATOM 0 H VAL A 6 -12.759 -3.936 4.999 1.00 0.32 H new ATOM 0 HA VAL A 6 -12.108 -6.405 3.777 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.849 -5.710 3.871 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -9.941 -3.417 2.969 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -11.230 -4.452 2.308 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -11.607 -3.258 3.573 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.049 -3.806 5.209 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.659 -3.666 5.954 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -9.678 -5.127 6.223 1.00 1.32 H new ATOM 99 N ASN A 7 -11.102 -7.872 5.612 1.00 0.32 N ATOM 100 CA ASN A 7 -10.827 -8.809 6.693 1.00 0.36 C ATOM 101 C ASN A 7 -9.474 -9.467 6.502 1.00 0.37 C ATOM 102 O ASN A 7 -8.573 -9.316 7.323 1.00 0.46 O ATOM 103 CB ASN A 7 -11.915 -9.889 6.785 1.00 0.37 C ATOM 104 CG ASN A 7 -13.205 -9.385 7.409 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.358 -9.390 8.631 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.147 -8.965 6.579 1.00 0.53 N ATOM 0 H ASN A 7 -10.897 -8.229 4.679 1.00 0.32 H new ATOM 0 HA ASN A 7 -10.821 -8.241 7.623 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.126 -10.269 5.786 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.538 -10.727 7.372 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.038 -8.630 6.946 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.982 -8.976 5.573 1.00 0.53 H new ATOM 113 N ASN A 8 -9.330 -10.184 5.403 1.00 0.33 N ATOM 114 CA ASN A 8 -8.121 -10.956 5.165 1.00 0.39 C ATOM 115 C ASN A 8 -7.218 -10.247 4.177 1.00 0.39 C ATOM 116 O ASN A 8 -7.459 -10.278 2.975 1.00 0.48 O ATOM 117 CB ASN A 8 -8.451 -12.362 4.658 1.00 0.44 C ATOM 118 CG ASN A 8 -7.209 -13.217 4.458 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.220 -13.057 5.328 1.00 1.25 O flip ATOM 120 ND2 ASN A 8 -7.146 -14.029 3.537 1.00 1.47 N flip ATOM 0 H ASN A 8 -10.030 -10.249 4.664 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.598 -11.049 6.117 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -9.116 -12.854 5.368 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.992 -12.287 3.715 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -7.926 -14.125 2.887 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -6.313 -14.607 3.423 1.00 1.47 H new ATOM 127 N VAL A 9 -6.192 -9.595 4.679 1.00 0.42 N ATOM 128 CA VAL A 9 -5.238 -8.927 3.818 1.00 0.45 C ATOM 129 C VAL A 9 -3.830 -9.454 4.081 1.00 0.50 C ATOM 130 O VAL A 9 -3.330 -9.404 5.204 1.00 0.60 O ATOM 131 CB VAL A 9 -5.297 -7.386 3.982 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.068 -6.968 5.427 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.294 -6.710 3.062 1.00 1.01 C ATOM 0 H VAL A 9 -5.996 -9.513 5.677 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.505 -9.149 2.785 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.299 -7.062 3.700 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.116 -5.882 5.504 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.837 -7.411 6.060 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.087 -7.311 5.754 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.351 -5.629 3.192 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.288 -7.052 3.306 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.522 -6.963 2.027 1.00 1.01 H new ATOM 143 N VAL A 10 -3.219 -10.010 3.047 1.00 0.52 N ATOM 144 CA VAL A 10 -1.881 -10.566 3.162 1.00 0.61 C ATOM 145 C VAL A 10 -0.955 -9.969 2.112 1.00 0.47 C ATOM 146 O VAL A 10 -1.390 -9.605 1.013 1.00 0.48 O ATOM 147 CB VAL A 10 -1.883 -12.108 3.035 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.587 -12.742 4.224 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.536 -12.550 1.733 1.00 1.24 C ATOM 0 H VAL A 10 -3.630 -10.088 2.117 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.515 -10.307 4.156 1.00 0.61 H new ATOM 0 HB VAL A 10 -0.846 -12.445 3.025 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.578 -13.827 4.116 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.071 -12.464 5.143 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.618 -12.390 4.266 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.523 -13.638 1.671 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.567 -12.197 1.705 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.986 -12.132 0.890 1.00 1.24 H new ATOM 159 N VAL A 11 0.316 -9.860 2.463 1.00 0.44 N ATOM 160 CA VAL A 11 1.312 -9.306 1.566 1.00 0.39 C ATOM 161 C VAL A 11 2.190 -10.415 1.013 1.00 0.41 C ATOM 162 O VAL A 11 2.741 -11.219 1.769 1.00 0.52 O ATOM 163 CB VAL A 11 2.208 -8.272 2.275 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.169 -7.633 1.287 1.00 0.81 C ATOM 165 CG2 VAL A 11 1.367 -7.212 2.964 1.00 0.91 C ATOM 0 H VAL A 11 0.682 -10.151 3.370 1.00 0.44 H new ATOM 0 HA VAL A 11 0.777 -8.807 0.758 1.00 0.39 H new ATOM 0 HB VAL A 11 2.791 -8.791 3.036 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.794 -6.906 1.806 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.800 -8.403 0.844 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.603 -7.131 0.502 1.00 0.81 H new ATOM 0 HG21 VAL A 11 2.021 -6.493 3.458 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.754 -6.697 2.225 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.722 -7.684 3.705 1.00 0.91 H new ATOM 175 N LEU A 12 2.309 -10.461 -0.301 1.00 0.40 N ATOM 176 CA LEU A 12 3.138 -11.453 -0.956 1.00 0.45 C ATOM 177 C LEU A 12 4.276 -10.769 -1.703 1.00 0.57 C ATOM 178 O LEU A 12 4.359 -9.540 -1.730 1.00 1.18 O ATOM 179 CB LEU A 12 2.316 -12.310 -1.928 1.00 0.50 C ATOM 180 CG LEU A 12 1.136 -13.066 -1.312 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.085 -12.167 -1.193 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.813 -14.306 -2.134 1.00 1.16 C ATOM 0 H LEU A 12 1.838 -9.818 -0.938 1.00 0.40 H new ATOM 0 HA LEU A 12 3.550 -12.109 -0.189 1.00 0.45 H new ATOM 0 HB2 LEU A 12 1.937 -11.665 -2.720 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.982 -13.034 -2.398 1.00 0.50 H new ATOM 0 HG LEU A 12 1.420 -13.380 -0.308 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.909 -12.729 -0.753 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.152 -11.313 -0.558 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.375 -11.814 -2.183 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.028 -14.833 -1.683 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.554 -14.011 -3.151 1.00 1.16 H new ATOM 0 HD23 LEU A 12 1.682 -14.963 -2.158 1.00 1.16 H new ATOM 194 N ASP A 13 5.154 -11.585 -2.283 1.00 0.84 N ATOM 195 CA ASP A 13 6.295 -11.124 -3.082 1.00 1.01 C ATOM 196 C ASP A 13 7.358 -10.453 -2.212 1.00 0.85 C ATOM 197 O ASP A 13 8.405 -10.044 -2.702 1.00 1.01 O ATOM 198 CB ASP A 13 5.843 -10.178 -4.198 1.00 1.29 C ATOM 199 CG ASP A 13 6.808 -10.158 -5.364 1.00 2.15 C ATOM 200 OD1 ASP A 13 6.880 -11.173 -6.091 1.00 2.73 O ATOM 201 OD2 ASP A 13 7.492 -9.142 -5.565 1.00 2.57 O ATOM 0 H ASP A 13 5.095 -12.601 -2.212 1.00 0.84 H new ATOM 0 HA ASP A 13 6.743 -12.006 -3.539 1.00 1.01 H new ATOM 0 HB2 ASP A 13 4.857 -10.482 -4.551 1.00 1.29 H new ATOM 0 HB3 ASP A 13 5.741 -9.170 -3.797 1.00 1.29 H new ATOM 206 N ASN A 14 7.094 -10.360 -0.921 1.00 0.68 N ATOM 207 CA ASN A 14 8.049 -9.781 0.016 1.00 0.63 C ATOM 208 C ASN A 14 8.663 -10.879 0.879 1.00 0.57 C ATOM 209 O ASN A 14 8.011 -11.890 1.153 1.00 0.67 O ATOM 210 CB ASN A 14 7.368 -8.722 0.896 1.00 0.78 C ATOM 211 CG ASN A 14 7.131 -9.176 2.328 1.00 0.96 C ATOM 212 OD1 ASN A 14 7.974 -8.977 3.201 1.00 1.88 O ATOM 213 ND2 ASN A 14 5.976 -9.772 2.579 1.00 1.40 N ATOM 0 H ASN A 14 6.224 -10.678 -0.493 1.00 0.68 H new ATOM 0 HA ASN A 14 8.843 -9.293 -0.550 1.00 0.63 H new ATOM 0 HB2 ASN A 14 7.983 -7.822 0.907 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.412 -8.450 0.448 1.00 0.78 H new ATOM 0 HD21 ASN A 14 5.759 -10.085 3.525 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.303 -9.918 1.826 1.00 1.40 H new ATOM 220 N PRO A 15 9.925 -10.714 1.305 1.00 0.51 N ATOM 221 CA PRO A 15 10.770 -9.583 0.937 1.00 0.45 C ATOM 222 C PRO A 15 11.552 -9.849 -0.345 1.00 0.44 C ATOM 223 O PRO A 15 11.980 -10.976 -0.600 1.00 0.48 O ATOM 224 CB PRO A 15 11.741 -9.465 2.123 1.00 0.48 C ATOM 225 CG PRO A 15 11.522 -10.680 2.980 1.00 0.57 C ATOM 226 CD PRO A 15 10.633 -11.617 2.208 1.00 0.60 C ATOM 0 HA PRO A 15 10.187 -8.682 0.748 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.773 -9.417 1.775 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.552 -8.553 2.689 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.472 -11.159 3.217 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.059 -10.404 3.927 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.209 -12.365 1.663 1.00 0.60 H new ATOM 0 HD3 PRO A 15 9.947 -12.156 2.862 1.00 0.60 H new ATOM 234 N SER A 16 11.743 -8.814 -1.144 1.00 0.42 N ATOM 235 CA SER A 16 12.474 -8.957 -2.400 1.00 0.47 C ATOM 236 C SER A 16 13.227 -7.672 -2.729 1.00 0.45 C ATOM 237 O SER A 16 13.024 -6.657 -2.066 1.00 0.43 O ATOM 238 CB SER A 16 11.514 -9.326 -3.536 1.00 0.59 C ATOM 239 OG SER A 16 10.889 -10.575 -3.295 1.00 0.77 O ATOM 0 H SER A 16 11.407 -7.870 -0.952 1.00 0.42 H new ATOM 0 HA SER A 16 13.202 -9.761 -2.289 1.00 0.47 H new ATOM 0 HB2 SER A 16 10.755 -8.551 -3.640 1.00 0.59 H new ATOM 0 HB3 SER A 16 12.060 -9.366 -4.478 1.00 0.59 H new ATOM 0 HG SER A 16 10.049 -10.432 -2.811 1.00 0.77 H new ATOM 245 N PRO A 17 14.145 -7.706 -3.713 1.00 0.52 N ATOM 246 CA PRO A 17 14.800 -6.495 -4.212 1.00 0.52 C ATOM 247 C PRO A 17 13.775 -5.464 -4.669 1.00 0.48 C ATOM 248 O PRO A 17 12.849 -5.805 -5.392 1.00 0.58 O ATOM 249 CB PRO A 17 15.631 -6.993 -5.397 1.00 0.60 C ATOM 250 CG PRO A 17 15.865 -8.437 -5.112 1.00 0.83 C ATOM 251 CD PRO A 17 14.638 -8.919 -4.391 1.00 0.63 C ATOM 0 HA PRO A 17 15.400 -6.000 -3.449 1.00 0.52 H new ATOM 0 HB2 PRO A 17 15.100 -6.856 -6.339 1.00 0.60 H new ATOM 0 HB3 PRO A 17 16.571 -6.448 -5.479 1.00 0.60 H new ATOM 0 HG2 PRO A 17 16.021 -8.997 -6.034 1.00 0.83 H new ATOM 0 HG3 PRO A 17 16.757 -8.575 -4.501 1.00 0.83 H new ATOM 0 HD2 PRO A 17 13.898 -9.323 -5.082 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.874 -9.710 -3.679 1.00 0.63 H new ATOM 259 N PHE A 18 13.989 -4.211 -4.265 1.00 0.41 N ATOM 260 CA PHE A 18 13.026 -3.103 -4.407 1.00 0.37 C ATOM 261 C PHE A 18 12.234 -3.091 -5.723 1.00 0.36 C ATOM 262 O PHE A 18 11.085 -2.651 -5.739 1.00 0.37 O ATOM 263 CB PHE A 18 13.769 -1.770 -4.217 1.00 0.38 C ATOM 264 CG PHE A 18 13.189 -0.616 -4.991 1.00 0.34 C ATOM 265 CD1 PHE A 18 12.090 0.084 -4.516 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.745 -0.239 -6.202 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.558 1.135 -5.237 1.00 0.37 C ATOM 268 CE2 PHE A 18 13.220 0.812 -6.927 1.00 0.36 C ATOM 269 CZ PHE A 18 12.123 1.502 -6.445 1.00 0.37 C ATOM 0 H PHE A 18 14.859 -3.925 -3.817 1.00 0.41 H new ATOM 0 HA PHE A 18 12.273 -3.253 -3.634 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.769 -1.517 -3.157 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.810 -1.903 -4.513 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.645 -0.196 -3.572 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.601 -0.775 -6.585 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.700 1.671 -4.857 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.665 1.095 -7.869 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.709 2.324 -7.010 1.00 0.37 H new ATOM 279 N TYR A 19 12.828 -3.557 -6.814 1.00 0.38 N ATOM 280 CA TYR A 19 12.150 -3.546 -8.110 1.00 0.41 C ATOM 281 C TYR A 19 10.958 -4.512 -8.145 1.00 0.44 C ATOM 282 O TYR A 19 10.238 -4.582 -9.145 1.00 0.52 O ATOM 283 CB TYR A 19 13.134 -3.875 -9.234 1.00 0.45 C ATOM 284 CG TYR A 19 14.144 -2.779 -9.487 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.799 -1.650 -10.219 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.439 -2.870 -8.994 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.715 -0.643 -10.454 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.360 -1.866 -9.225 1.00 0.64 C ATOM 289 CZ TYR A 19 15.995 -0.756 -9.955 1.00 0.57 C ATOM 290 OH TYR A 19 16.911 0.244 -10.186 1.00 0.65 O ATOM 0 H TYR A 19 13.771 -3.945 -6.831 1.00 0.38 H new ATOM 0 HA TYR A 19 11.760 -2.540 -8.262 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.662 -4.796 -8.987 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.576 -4.064 -10.151 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.797 -1.558 -10.611 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.731 -3.738 -8.422 1.00 0.58 H new ATOM 0 HE1 TYR A 19 14.430 0.228 -11.025 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.363 -1.951 -8.834 1.00 0.64 H new ATOM 0 HH TYR A 19 17.764 0.009 -9.765 1.00 0.65 H new ATOM 300 N ASN A 20 10.749 -5.245 -7.055 1.00 0.44 N ATOM 301 CA ASN A 20 9.615 -6.150 -6.948 1.00 0.48 C ATOM 302 C ASN A 20 8.349 -5.357 -6.649 1.00 0.42 C ATOM 303 O ASN A 20 8.371 -4.390 -5.883 1.00 0.52 O ATOM 304 CB ASN A 20 9.852 -7.224 -5.873 1.00 0.61 C ATOM 305 CG ASN A 20 9.764 -6.700 -4.448 1.00 1.03 C ATOM 306 OD1 ASN A 20 10.731 -6.184 -3.913 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.622 -6.884 -3.807 1.00 0.69 N ATOM 0 H ASN A 20 11.353 -5.228 -6.233 1.00 0.44 H new ATOM 0 HA ASN A 20 9.496 -6.665 -7.901 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.120 -8.021 -6.002 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.836 -7.667 -6.027 1.00 0.61 H new ATOM 0 HD21 ASN A 20 8.530 -6.591 -2.834 1.00 0.69 H new ATOM 0 HD22 ASN A 20 7.833 -7.319 -4.285 1.00 0.69 H new ATOM 314 N PRO A 21 7.240 -5.744 -7.275 1.00 0.41 N ATOM 315 CA PRO A 21 5.977 -5.031 -7.148 1.00 0.38 C ATOM 316 C PRO A 21 5.261 -5.311 -5.829 1.00 0.35 C ATOM 317 O PRO A 21 5.511 -6.321 -5.163 1.00 0.42 O ATOM 318 CB PRO A 21 5.159 -5.561 -8.326 1.00 0.44 C ATOM 319 CG PRO A 21 5.698 -6.920 -8.599 1.00 0.62 C ATOM 320 CD PRO A 21 7.135 -6.916 -8.158 1.00 0.57 C ATOM 0 HA PRO A 21 6.122 -3.951 -7.155 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.098 -5.601 -8.081 1.00 0.44 H new ATOM 0 HB3 PRO A 21 5.261 -4.915 -9.198 1.00 0.44 H new ATOM 0 HG2 PRO A 21 5.130 -7.677 -8.058 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.620 -7.161 -9.659 1.00 0.62 H new ATOM 0 HD2 PRO A 21 7.392 -7.835 -7.632 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.812 -6.835 -9.008 1.00 0.57 H new ATOM 328 N PHE A 22 4.372 -4.402 -5.458 1.00 0.33 N ATOM 329 CA PHE A 22 3.534 -4.579 -4.293 1.00 0.34 C ATOM 330 C PHE A 22 2.456 -5.592 -4.604 1.00 0.33 C ATOM 331 O PHE A 22 1.507 -5.301 -5.333 1.00 0.41 O ATOM 332 CB PHE A 22 2.899 -3.252 -3.871 1.00 0.37 C ATOM 333 CG PHE A 22 3.906 -2.238 -3.433 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.596 -2.411 -2.249 1.00 0.43 C ATOM 335 CD2 PHE A 22 4.176 -1.123 -4.209 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.536 -1.493 -1.848 1.00 0.53 C ATOM 337 CE2 PHE A 22 5.116 -0.201 -3.806 1.00 0.57 C ATOM 338 CZ PHE A 22 5.797 -0.387 -2.627 1.00 0.58 C ATOM 0 H PHE A 22 4.215 -3.526 -5.957 1.00 0.33 H new ATOM 0 HA PHE A 22 4.149 -4.937 -3.468 1.00 0.34 H new ATOM 0 HB2 PHE A 22 2.324 -2.849 -4.705 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.196 -3.434 -3.058 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.395 -3.275 -1.633 1.00 0.43 H new ATOM 0 HD2 PHE A 22 3.645 -0.975 -5.138 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.071 -1.638 -0.921 1.00 0.53 H new ATOM 0 HE2 PHE A 22 5.318 0.667 -4.416 1.00 0.57 H new ATOM 0 HZ PHE A 22 6.537 0.334 -2.311 1.00 0.58 H new ATOM 348 N GLN A 23 2.631 -6.791 -4.087 1.00 0.31 N ATOM 349 CA GLN A 23 1.673 -7.854 -4.319 1.00 0.34 C ATOM 350 C GLN A 23 0.810 -8.084 -3.083 1.00 0.33 C ATOM 351 O GLN A 23 1.291 -8.548 -2.048 1.00 0.38 O ATOM 352 CB GLN A 23 2.389 -9.143 -4.733 1.00 0.45 C ATOM 353 CG GLN A 23 1.452 -10.339 -4.830 1.00 0.97 C ATOM 354 CD GLN A 23 2.094 -11.572 -5.437 1.00 0.90 C ATOM 355 OE1 GLN A 23 3.385 -11.745 -5.223 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 1.425 -12.376 -6.084 1.00 1.13 N flip ATOM 0 H GLN A 23 3.426 -7.054 -3.504 1.00 0.31 H new ATOM 0 HA GLN A 23 1.017 -7.552 -5.136 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.874 -8.989 -5.697 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.176 -9.363 -4.012 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.087 -10.585 -3.833 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.584 -10.061 -5.428 1.00 0.97 H new ATOM 0 HE21 GLN A 23 0.429 -12.210 -6.230 1.00 1.13 H new ATOM 0 HE22 GLN A 23 1.866 -13.209 -6.475 1.00 1.13 H new ATOM 365 N PHE A 24 -0.463 -7.736 -3.194 1.00 0.31 N ATOM 366 CA PHE A 24 -1.401 -7.898 -2.095 1.00 0.33 C ATOM 367 C PHE A 24 -2.547 -8.820 -2.486 1.00 0.36 C ATOM 368 O PHE A 24 -3.056 -8.751 -3.604 1.00 0.50 O ATOM 369 CB PHE A 24 -1.986 -6.546 -1.683 1.00 0.31 C ATOM 370 CG PHE A 24 -0.979 -5.551 -1.185 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.452 -5.659 0.087 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.582 -4.490 -1.985 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.455 -4.729 0.558 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.328 -3.558 -1.523 1.00 0.32 C ATOM 375 CZ PHE A 24 0.848 -3.674 -0.248 1.00 0.30 C ATOM 0 H PHE A 24 -0.871 -7.337 -4.039 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.851 -8.335 -1.261 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.509 -6.116 -2.538 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.730 -6.710 -0.904 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.752 -6.480 0.721 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.989 -4.391 -2.981 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.858 -4.825 1.556 1.00 0.31 H new ATOM 0 HE2 PHE A 24 0.633 -2.739 -2.158 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.557 -2.946 0.118 1.00 0.30 H new ATOM 385 N GLU A 25 -2.953 -9.673 -1.563 1.00 0.31 N ATOM 386 CA GLU A 25 -4.184 -10.428 -1.723 1.00 0.34 C ATOM 387 C GLU A 25 -5.199 -9.907 -0.726 1.00 0.32 C ATOM 388 O GLU A 25 -5.128 -10.205 0.469 1.00 0.35 O ATOM 389 CB GLU A 25 -3.984 -11.937 -1.546 1.00 0.43 C ATOM 390 CG GLU A 25 -3.279 -12.607 -2.713 1.00 0.97 C ATOM 391 CD GLU A 25 -3.503 -14.107 -2.743 1.00 1.43 C ATOM 392 OE1 GLU A 25 -2.962 -14.816 -1.870 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.227 -14.588 -3.647 1.00 1.98 O ATOM 0 H GLU A 25 -2.450 -9.861 -0.696 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.540 -10.288 -2.744 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -3.408 -12.113 -0.637 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -4.957 -12.408 -1.403 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -3.634 -12.171 -3.647 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -2.210 -12.404 -2.653 1.00 0.97 H new ATOM 400 N ILE A 26 -6.116 -9.096 -1.218 1.00 0.30 N ATOM 401 CA ILE A 26 -7.048 -8.387 -0.362 1.00 0.30 C ATOM 402 C ILE A 26 -8.425 -9.039 -0.377 1.00 0.29 C ATOM 403 O ILE A 26 -9.058 -9.164 -1.427 1.00 0.32 O ATOM 404 CB ILE A 26 -7.181 -6.915 -0.796 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.801 -6.254 -0.862 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.089 -6.160 0.168 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.813 -4.894 -1.523 1.00 0.29 C ATOM 0 H ILE A 26 -6.236 -8.911 -2.214 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.649 -8.432 0.651 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.628 -6.882 -1.790 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.406 -6.154 0.149 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.120 -6.908 -1.407 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.174 -5.121 -0.151 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.077 -6.620 0.173 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.666 -6.198 1.172 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.802 -4.486 -1.534 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.177 -4.990 -2.546 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.468 -4.224 -0.966 1.00 0.29 H new ATOM 419 N THR A 27 -8.867 -9.461 0.792 1.00 0.31 N ATOM 420 CA THR A 27 -10.188 -10.026 0.960 1.00 0.30 C ATOM 421 C THR A 27 -11.084 -9.047 1.712 1.00 0.27 C ATOM 422 O THR A 27 -10.928 -8.855 2.928 1.00 0.29 O ATOM 423 CB THR A 27 -10.111 -11.348 1.745 1.00 0.36 C ATOM 424 OG1 THR A 27 -9.119 -12.199 1.167 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.449 -12.062 1.751 1.00 0.34 C ATOM 0 H THR A 27 -8.319 -9.421 1.651 1.00 0.31 H new ATOM 0 HA THR A 27 -10.607 -10.219 -0.028 1.00 0.30 H new ATOM 0 HB THR A 27 -9.842 -11.113 2.775 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.233 -11.939 1.495 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.363 -12.992 2.313 1.00 0.34 H new ATOM 0 HG22 THR A 27 -12.200 -11.424 2.218 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.748 -12.284 0.726 1.00 0.34 H new ATOM 433 N PHE A 28 -12.012 -8.426 0.993 1.00 0.23 N ATOM 434 CA PHE A 28 -12.931 -7.485 1.595 1.00 0.22 C ATOM 435 C PHE A 28 -14.359 -7.963 1.413 1.00 0.21 C ATOM 436 O PHE A 28 -14.750 -8.407 0.334 1.00 0.20 O ATOM 437 CB PHE A 28 -12.744 -6.080 1.009 1.00 0.21 C ATOM 438 CG PHE A 28 -13.118 -5.933 -0.443 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.303 -6.439 -1.444 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.275 -5.261 -0.804 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.639 -6.279 -2.775 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.611 -5.092 -2.132 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.793 -5.602 -3.119 1.00 0.28 C ATOM 0 H PHE A 28 -12.143 -8.562 -0.009 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.717 -7.427 2.662 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.339 -5.378 1.593 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.700 -5.790 1.129 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.396 -6.964 -1.181 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.922 -4.864 -0.036 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -12.000 -6.683 -3.546 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.513 -4.561 -2.398 1.00 0.26 H new ATOM 0 HZ PHE A 28 -14.054 -5.472 -4.159 1.00 0.28 H new ATOM 453 N GLU A 29 -15.126 -7.882 2.475 1.00 0.22 N ATOM 454 CA GLU A 29 -16.477 -8.393 2.483 1.00 0.23 C ATOM 455 C GLU A 29 -17.460 -7.237 2.434 1.00 0.25 C ATOM 456 O GLU A 29 -17.542 -6.438 3.369 1.00 0.29 O ATOM 457 CB GLU A 29 -16.671 -9.246 3.735 1.00 0.26 C ATOM 458 CG GLU A 29 -17.991 -9.987 3.825 1.00 0.33 C ATOM 459 CD GLU A 29 -18.016 -10.915 5.024 1.00 0.41 C ATOM 460 OE1 GLU A 29 -17.274 -11.923 5.019 1.00 0.67 O ATOM 461 OE2 GLU A 29 -18.746 -10.624 5.994 1.00 0.77 O ATOM 0 H GLU A 29 -14.832 -7.461 3.356 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.657 -9.016 1.607 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.862 -9.974 3.786 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.576 -8.603 4.610 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.809 -9.271 3.899 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.152 -10.562 2.913 1.00 0.33 H new ATOM 468 N CYS A 30 -18.169 -7.127 1.327 1.00 0.24 N ATOM 469 CA CYS A 30 -19.141 -6.069 1.159 1.00 0.28 C ATOM 470 C CYS A 30 -20.382 -6.375 1.981 1.00 0.33 C ATOM 471 O CYS A 30 -21.070 -7.370 1.750 1.00 0.35 O ATOM 472 CB CYS A 30 -19.507 -5.911 -0.318 1.00 0.29 C ATOM 473 SG CYS A 30 -18.091 -5.601 -1.401 1.00 0.51 S ATOM 0 H CYS A 30 -18.088 -7.759 0.531 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.707 -5.132 1.507 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -20.017 -6.814 -0.654 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.215 -5.089 -0.420 1.00 0.29 H new ATOM 0 HG CYS A 30 -18.514 -5.275 -2.586 1.00 0.51 H new ATOM 479 N ILE A 31 -20.644 -5.529 2.961 1.00 0.39 N ATOM 480 CA ILE A 31 -21.789 -5.705 3.834 1.00 0.45 C ATOM 481 C ILE A 31 -23.044 -5.192 3.138 1.00 0.48 C ATOM 482 O ILE A 31 -24.163 -5.603 3.444 1.00 0.53 O ATOM 483 CB ILE A 31 -21.579 -4.961 5.169 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.190 -5.288 5.735 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.669 -5.336 6.165 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.886 -4.605 7.052 1.00 0.52 C ATOM 0 H ILE A 31 -20.075 -4.709 3.172 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.904 -6.767 4.052 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.640 -3.888 4.990 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -20.108 -6.367 5.869 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.434 -5.000 5.005 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.506 -4.802 7.101 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.643 -5.065 5.758 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.639 -6.410 6.350 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.887 -4.886 7.386 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.934 -3.524 6.921 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.618 -4.912 7.799 1.00 0.52 H new ATOM 498 N GLU A 32 -22.831 -4.309 2.175 1.00 0.49 N ATOM 499 CA GLU A 32 -23.909 -3.747 1.379 1.00 0.53 C ATOM 500 C GLU A 32 -23.475 -3.683 -0.078 1.00 0.52 C ATOM 501 O GLU A 32 -22.363 -4.093 -0.416 1.00 0.51 O ATOM 502 CB GLU A 32 -24.266 -2.342 1.866 1.00 0.60 C ATOM 503 CG GLU A 32 -24.841 -2.292 3.273 1.00 0.84 C ATOM 504 CD GLU A 32 -24.887 -0.882 3.824 1.00 1.25 C ATOM 505 OE1 GLU A 32 -25.537 -0.014 3.207 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.260 -0.628 4.874 1.00 1.83 O ATOM 0 H GLU A 32 -21.905 -3.962 1.924 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.788 -4.383 1.480 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.372 -1.720 1.830 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -24.987 -1.904 1.176 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.847 -2.711 3.267 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.239 -2.918 3.932 1.00 0.84 H new ATOM 513 N ASP A 33 -24.344 -3.174 -0.933 1.00 0.62 N ATOM 514 CA ASP A 33 -24.007 -2.990 -2.335 1.00 0.65 C ATOM 515 C ASP A 33 -23.463 -1.591 -2.570 1.00 0.65 C ATOM 516 O ASP A 33 -23.915 -0.621 -1.958 1.00 0.79 O ATOM 517 CB ASP A 33 -25.221 -3.240 -3.237 1.00 0.76 C ATOM 518 CG ASP A 33 -26.421 -2.388 -2.868 1.00 1.44 C ATOM 519 OD1 ASP A 33 -27.207 -2.818 -1.996 1.00 2.18 O ATOM 520 OD2 ASP A 33 -26.595 -1.299 -3.456 1.00 2.01 O ATOM 0 H ASP A 33 -25.288 -2.881 -0.682 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.238 -3.719 -2.591 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -24.945 -3.039 -4.272 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -25.498 -4.293 -3.179 1.00 0.76 H new ATOM 525 N LEU A 34 -22.469 -1.494 -3.436 1.00 0.57 N ATOM 526 CA LEU A 34 -21.870 -0.214 -3.766 1.00 0.57 C ATOM 527 C LEU A 34 -22.371 0.258 -5.124 1.00 0.64 C ATOM 528 O LEU A 34 -22.345 -0.495 -6.096 1.00 0.71 O ATOM 529 CB LEU A 34 -20.336 -0.311 -3.770 1.00 0.55 C ATOM 530 CG LEU A 34 -19.662 -0.416 -2.392 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.988 -1.733 -1.703 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.158 -0.257 -2.529 1.00 1.41 C ATOM 0 H LEU A 34 -22.059 -2.290 -3.924 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.162 0.510 -3.005 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.049 -1.181 -4.360 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -19.938 0.566 -4.281 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.055 0.389 -1.771 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.493 -1.768 -0.733 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -21.066 -1.814 -1.564 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.639 -2.562 -2.319 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -17.693 -0.333 -1.546 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -17.767 -1.041 -3.177 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -17.933 0.718 -2.962 1.00 1.41 H new ATOM 544 N SER A 35 -22.815 1.504 -5.187 1.00 0.75 N ATOM 545 CA SER A 35 -23.367 2.053 -6.415 1.00 0.89 C ATOM 546 C SER A 35 -22.298 2.826 -7.182 1.00 0.75 C ATOM 547 O SER A 35 -22.530 3.297 -8.296 1.00 0.92 O ATOM 548 CB SER A 35 -24.556 2.963 -6.093 1.00 1.14 C ATOM 549 OG SER A 35 -25.265 3.325 -7.267 1.00 1.55 O ATOM 0 H SER A 35 -22.804 2.154 -4.401 1.00 0.75 H new ATOM 0 HA SER A 35 -23.712 1.231 -7.042 1.00 0.89 H new ATOM 0 HB2 SER A 35 -25.229 2.454 -5.403 1.00 1.14 H new ATOM 0 HB3 SER A 35 -24.202 3.862 -5.589 1.00 1.14 H new ATOM 0 HG SER A 35 -24.634 3.444 -8.007 1.00 1.55 H new ATOM 555 N GLU A 36 -21.128 2.955 -6.579 1.00 0.61 N ATOM 556 CA GLU A 36 -20.025 3.652 -7.211 1.00 0.51 C ATOM 557 C GLU A 36 -18.850 2.694 -7.379 1.00 0.44 C ATOM 558 O GLU A 36 -18.866 1.582 -6.841 1.00 0.53 O ATOM 559 CB GLU A 36 -19.627 4.871 -6.372 1.00 0.63 C ATOM 560 CG GLU A 36 -18.730 5.853 -7.106 1.00 1.48 C ATOM 561 CD GLU A 36 -18.281 7.002 -6.233 1.00 2.16 C ATOM 562 OE1 GLU A 36 -17.312 6.822 -5.470 1.00 2.95 O ATOM 563 OE2 GLU A 36 -18.880 8.098 -6.327 1.00 2.46 O ATOM 0 H GLU A 36 -20.919 2.585 -5.652 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.329 4.006 -8.196 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.530 5.389 -6.049 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.116 4.530 -5.471 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -17.854 5.326 -7.483 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -19.262 6.247 -7.972 1.00 1.48 H new ATOM 570 N ASP A 37 -17.843 3.120 -8.124 1.00 0.37 N ATOM 571 CA ASP A 37 -16.678 2.292 -8.386 1.00 0.36 C ATOM 572 C ASP A 37 -15.742 2.369 -7.198 1.00 0.35 C ATOM 573 O ASP A 37 -15.343 3.460 -6.793 1.00 0.50 O ATOM 574 CB ASP A 37 -15.941 2.765 -9.643 1.00 0.49 C ATOM 575 CG ASP A 37 -16.879 3.202 -10.748 1.00 0.92 C ATOM 576 OD1 ASP A 37 -17.398 2.338 -11.486 1.00 1.88 O ATOM 577 OD2 ASP A 37 -17.102 4.423 -10.885 1.00 1.30 O ATOM 0 H ASP A 37 -17.810 4.041 -8.561 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.007 1.265 -8.545 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.284 3.595 -9.382 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -15.306 1.959 -10.010 1.00 0.49 H new ATOM 582 N LEU A 38 -15.391 1.228 -6.633 1.00 0.30 N ATOM 583 CA LEU A 38 -14.537 1.224 -5.462 1.00 0.31 C ATOM 584 C LEU A 38 -13.080 1.348 -5.880 1.00 0.28 C ATOM 585 O LEU A 38 -12.546 0.475 -6.564 1.00 0.29 O ATOM 586 CB LEU A 38 -14.759 -0.049 -4.645 1.00 0.39 C ATOM 587 CG LEU A 38 -14.057 -0.076 -3.293 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.369 1.198 -2.524 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.485 -1.299 -2.498 1.00 1.32 C ATOM 0 H LEU A 38 -15.679 0.306 -6.960 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.792 2.079 -4.836 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.829 -0.178 -4.485 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.419 -0.903 -5.231 1.00 0.39 H new ATOM 0 HG LEU A 38 -12.980 -0.134 -3.454 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -13.864 1.173 -1.558 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.022 2.061 -3.093 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -15.445 1.275 -2.369 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -13.975 -1.304 -1.535 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.563 -1.270 -2.338 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.225 -2.202 -3.051 1.00 1.32 H new ATOM 601 N GLU A 39 -12.446 2.430 -5.454 1.00 0.30 N ATOM 602 CA GLU A 39 -11.081 2.724 -5.857 1.00 0.32 C ATOM 603 C GLU A 39 -10.081 2.196 -4.840 1.00 0.31 C ATOM 604 O GLU A 39 -9.974 2.714 -3.731 1.00 0.43 O ATOM 605 CB GLU A 39 -10.891 4.233 -6.033 1.00 0.42 C ATOM 606 CG GLU A 39 -9.514 4.619 -6.551 1.00 0.50 C ATOM 607 CD GLU A 39 -9.332 6.117 -6.670 1.00 0.68 C ATOM 608 OE1 GLU A 39 -9.823 6.702 -7.653 1.00 0.92 O ATOM 609 OE2 GLU A 39 -8.698 6.714 -5.777 1.00 0.73 O ATOM 0 H GLU A 39 -12.858 3.121 -4.827 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.900 2.224 -6.809 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.647 4.608 -6.723 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.061 4.726 -5.076 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.753 4.217 -5.882 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.356 4.159 -7.527 1.00 0.50 H new ATOM 616 N TRP A 40 -9.370 1.151 -5.220 1.00 0.24 N ATOM 617 CA TRP A 40 -8.277 0.641 -4.413 1.00 0.23 C ATOM 618 C TRP A 40 -6.984 1.297 -4.863 1.00 0.24 C ATOM 619 O TRP A 40 -6.502 1.047 -5.964 1.00 0.28 O ATOM 620 CB TRP A 40 -8.188 -0.880 -4.537 1.00 0.24 C ATOM 621 CG TRP A 40 -9.401 -1.569 -4.000 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.574 -1.798 -4.657 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.561 -2.113 -2.686 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.458 -2.446 -3.831 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.858 -2.650 -2.615 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.733 -2.197 -1.562 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.345 -3.260 -1.466 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.221 -2.806 -0.420 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.517 -3.329 -0.381 1.00 0.40 C ATOM 0 H TRP A 40 -9.531 0.637 -6.086 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.453 0.879 -3.364 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.055 -1.149 -5.585 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.306 -1.234 -4.003 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.778 -1.511 -5.678 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.406 -2.729 -4.081 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.731 -1.794 -1.585 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.345 -3.666 -1.431 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.592 -2.879 0.455 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.871 -3.797 0.525 1.00 0.40 H new ATOM 640 N LYS A 41 -6.441 2.150 -4.021 1.00 0.25 N ATOM 641 CA LYS A 41 -5.305 2.970 -4.394 1.00 0.25 C ATOM 642 C LYS A 41 -4.077 2.608 -3.561 1.00 0.23 C ATOM 643 O LYS A 41 -4.184 2.380 -2.358 1.00 0.27 O ATOM 644 CB LYS A 41 -5.674 4.440 -4.175 1.00 0.37 C ATOM 645 CG LYS A 41 -4.728 5.431 -4.825 1.00 0.63 C ATOM 646 CD LYS A 41 -4.797 6.782 -4.135 1.00 0.65 C ATOM 647 CE LYS A 41 -6.166 7.412 -4.313 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.386 8.565 -3.401 1.00 1.23 N ATOM 0 H LYS A 41 -6.770 2.295 -3.066 1.00 0.25 H new ATOM 0 HA LYS A 41 -5.061 2.796 -5.442 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.679 4.610 -4.561 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.706 4.637 -3.103 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.708 5.048 -4.782 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.982 5.544 -5.879 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.582 6.664 -3.073 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.032 7.443 -4.543 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -6.278 7.743 -5.345 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.934 6.660 -4.134 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.381 8.863 -3.452 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.158 8.285 -2.426 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.773 9.355 -3.687 1.00 1.23 H new ATOM 662 N ILE A 42 -2.916 2.549 -4.201 1.00 0.22 N ATOM 663 CA ILE A 42 -1.666 2.375 -3.474 1.00 0.24 C ATOM 664 C ILE A 42 -0.924 3.697 -3.406 1.00 0.25 C ATOM 665 O ILE A 42 -0.342 4.158 -4.396 1.00 0.31 O ATOM 666 CB ILE A 42 -0.731 1.305 -4.101 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.320 -0.094 -3.933 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.657 1.363 -3.468 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.460 -1.195 -4.519 1.00 0.46 C ATOM 0 H ILE A 42 -2.814 2.618 -5.214 1.00 0.22 H new ATOM 0 HA ILE A 42 -1.936 2.025 -2.478 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.641 1.522 -5.165 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -1.470 -0.290 -2.871 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.302 -0.123 -4.405 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.296 0.605 -3.922 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.091 2.349 -3.632 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.577 1.176 -2.397 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -0.944 -2.158 -4.360 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.330 -1.025 -5.588 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.515 -1.194 -4.031 1.00 0.46 H new ATOM 681 N ILE A 43 -0.994 4.323 -2.250 1.00 0.24 N ATOM 682 CA ILE A 43 -0.218 5.509 -1.982 1.00 0.27 C ATOM 683 C ILE A 43 1.046 5.103 -1.253 1.00 0.26 C ATOM 684 O ILE A 43 0.996 4.663 -0.108 1.00 0.30 O ATOM 685 CB ILE A 43 -0.991 6.525 -1.119 1.00 0.31 C ATOM 686 CG1 ILE A 43 -2.308 6.907 -1.792 1.00 0.37 C ATOM 687 CG2 ILE A 43 -0.139 7.764 -0.873 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.165 7.832 -0.958 1.00 0.69 C ATOM 0 H ILE A 43 -1.587 4.024 -1.476 1.00 0.24 H new ATOM 0 HA ILE A 43 0.010 5.988 -2.934 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.218 6.063 -0.158 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.093 7.386 -2.747 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -2.872 6.000 -2.010 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.697 8.474 -0.262 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.776 7.479 -0.354 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.114 8.227 -1.827 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -4.084 8.062 -1.497 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -3.410 7.347 -0.013 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -2.619 8.755 -0.762 1.00 0.69 H new ATOM 700 N TYR A 44 2.171 5.193 -1.921 1.00 0.29 N ATOM 701 CA TYR A 44 3.419 4.859 -1.274 1.00 0.29 C ATOM 702 C TYR A 44 4.071 6.119 -0.735 1.00 0.28 C ATOM 703 O TYR A 44 4.055 7.162 -1.388 1.00 0.33 O ATOM 704 CB TYR A 44 4.356 4.131 -2.240 1.00 0.32 C ATOM 705 CG TYR A 44 5.529 3.463 -1.555 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.335 2.309 -0.814 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.821 3.969 -1.652 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.387 1.675 -0.186 1.00 0.50 C ATOM 709 CE2 TYR A 44 7.881 3.334 -1.029 1.00 0.45 C ATOM 710 CZ TYR A 44 7.657 2.187 -0.298 1.00 0.49 C ATOM 711 OH TYR A 44 8.705 1.540 0.313 1.00 0.59 O ATOM 0 H TYR A 44 2.250 5.489 -2.894 1.00 0.29 H new ATOM 0 HA TYR A 44 3.214 4.186 -0.442 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.788 3.378 -2.787 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.732 4.843 -2.975 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.340 1.897 -0.726 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.999 4.869 -2.221 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.213 0.779 0.392 1.00 0.50 H new ATOM 0 HE2 TYR A 44 8.880 3.736 -1.115 1.00 0.45 H new ATOM 0 HH TYR A 44 9.526 1.690 -0.200 1.00 0.59 H new ATOM 721 N VAL A 45 4.590 6.038 0.479 1.00 0.27 N ATOM 722 CA VAL A 45 5.349 7.136 1.046 1.00 0.28 C ATOM 723 C VAL A 45 6.663 7.279 0.302 1.00 0.30 C ATOM 724 O VAL A 45 7.516 6.399 0.373 1.00 0.36 O ATOM 725 CB VAL A 45 5.635 6.926 2.549 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.499 8.046 3.101 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.341 6.837 3.333 1.00 0.34 C ATOM 0 H VAL A 45 4.499 5.225 1.088 1.00 0.27 H new ATOM 0 HA VAL A 45 4.751 8.041 0.942 1.00 0.28 H new ATOM 0 HB VAL A 45 6.177 5.986 2.656 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.685 7.873 4.161 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.448 8.071 2.565 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.985 8.999 2.973 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.565 6.689 4.389 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.776 7.760 3.208 1.00 0.34 H new ATOM 0 HG23 VAL A 45 3.750 5.997 2.966 1.00 0.34 H new ATOM 737 N GLY A 46 6.800 8.360 -0.441 1.00 0.32 N ATOM 738 CA GLY A 46 8.048 8.625 -1.113 1.00 0.39 C ATOM 739 C GLY A 46 9.128 8.967 -0.121 1.00 0.41 C ATOM 740 O GLY A 46 10.160 8.306 -0.059 1.00 0.47 O ATOM 0 H GLY A 46 6.071 9.058 -0.591 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.345 7.752 -1.695 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.920 9.448 -1.816 1.00 0.39 H new ATOM 744 N SER A 47 8.872 9.990 0.680 1.00 0.43 N ATOM 745 CA SER A 47 9.816 10.416 1.686 1.00 0.48 C ATOM 746 C SER A 47 9.152 10.478 3.049 1.00 0.51 C ATOM 747 O SER A 47 8.012 10.925 3.178 1.00 0.49 O ATOM 748 CB SER A 47 10.377 11.788 1.325 1.00 0.53 C ATOM 749 OG SER A 47 11.309 12.244 2.291 1.00 1.23 O ATOM 0 H SER A 47 8.013 10.539 0.648 1.00 0.43 H new ATOM 0 HA SER A 47 10.629 9.691 1.725 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.859 11.739 0.349 1.00 0.53 H new ATOM 0 HB3 SER A 47 9.560 12.505 1.241 1.00 0.53 H new ATOM 0 HG SER A 47 11.879 11.498 2.573 1.00 1.23 H new ATOM 755 N ALA A 48 9.871 10.021 4.058 1.00 0.62 N ATOM 756 CA ALA A 48 9.444 10.168 5.434 1.00 0.70 C ATOM 757 C ALA A 48 9.969 11.494 5.967 1.00 0.75 C ATOM 758 O ALA A 48 9.570 11.965 7.036 1.00 0.82 O ATOM 759 CB ALA A 48 9.948 9.004 6.270 1.00 0.81 C ATOM 0 H ALA A 48 10.763 9.540 3.946 1.00 0.62 H new ATOM 0 HA ALA A 48 8.355 10.164 5.490 1.00 0.70 H new ATOM 0 HB1 ALA A 48 9.619 9.128 7.302 1.00 0.81 H new ATOM 0 HB2 ALA A 48 9.550 8.071 5.872 1.00 0.81 H new ATOM 0 HB3 ALA A 48 11.037 8.977 6.237 1.00 0.81 H new ATOM 765 N GLU A 49 10.875 12.081 5.193 1.00 0.75 N ATOM 766 CA GLU A 49 11.398 13.405 5.462 1.00 0.83 C ATOM 767 C GLU A 49 10.414 14.447 4.938 1.00 0.82 C ATOM 768 O GLU A 49 10.111 15.430 5.616 1.00 0.93 O ATOM 769 CB GLU A 49 12.770 13.562 4.797 1.00 0.90 C ATOM 770 CG GLU A 49 13.407 14.931 4.971 1.00 1.06 C ATOM 771 CD GLU A 49 14.789 15.000 4.355 1.00 1.48 C ATOM 772 OE1 GLU A 49 14.890 15.071 3.112 1.00 1.96 O ATOM 773 OE2 GLU A 49 15.783 14.978 5.111 1.00 1.99 O ATOM 0 H GLU A 49 11.266 11.645 4.358 1.00 0.75 H new ATOM 0 HA GLU A 49 11.521 13.548 6.535 1.00 0.83 H new ATOM 0 HB2 GLU A 49 13.444 12.808 5.204 1.00 0.90 H new ATOM 0 HB3 GLU A 49 12.668 13.357 3.731 1.00 0.90 H new ATOM 0 HG2 GLU A 49 12.769 15.688 4.514 1.00 1.06 H new ATOM 0 HG3 GLU A 49 13.472 15.168 6.033 1.00 1.06 H new ATOM 780 N SER A 50 9.906 14.217 3.730 1.00 0.74 N ATOM 781 CA SER A 50 8.866 15.060 3.168 1.00 0.79 C ATOM 782 C SER A 50 7.914 14.220 2.339 1.00 0.75 C ATOM 783 O SER A 50 8.262 13.729 1.266 1.00 1.26 O ATOM 784 CB SER A 50 9.469 16.182 2.323 1.00 0.96 C ATOM 785 OG SER A 50 8.458 16.991 1.741 1.00 1.72 O ATOM 0 H SER A 50 10.201 13.451 3.124 1.00 0.74 H new ATOM 0 HA SER A 50 8.312 15.520 3.986 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.118 16.799 2.944 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.092 15.754 1.538 1.00 0.96 H new ATOM 0 HG SER A 50 8.873 17.701 1.208 1.00 1.72 H new ATOM 791 N GLU A 51 6.697 14.069 2.826 1.00 0.78 N ATOM 792 CA GLU A 51 5.740 13.179 2.192 1.00 0.71 C ATOM 793 C GLU A 51 5.182 13.784 0.907 1.00 0.74 C ATOM 794 O GLU A 51 4.268 13.234 0.303 1.00 0.80 O ATOM 795 CB GLU A 51 4.604 12.845 3.155 1.00 0.85 C ATOM 796 CG GLU A 51 5.087 12.294 4.483 1.00 1.46 C ATOM 797 CD GLU A 51 3.945 11.905 5.399 1.00 1.68 C ATOM 798 OE1 GLU A 51 3.345 12.801 6.027 1.00 2.02 O ATOM 799 OE2 GLU A 51 3.638 10.697 5.493 1.00 2.09 O ATOM 0 H GLU A 51 6.347 14.549 3.656 1.00 0.78 H new ATOM 0 HA GLU A 51 6.265 12.260 1.930 1.00 0.71 H new ATOM 0 HB2 GLU A 51 4.014 13.743 3.335 1.00 0.85 H new ATOM 0 HB3 GLU A 51 3.942 12.117 2.686 1.00 0.85 H new ATOM 0 HG2 GLU A 51 5.718 11.423 4.304 1.00 1.46 H new ATOM 0 HG3 GLU A 51 5.708 13.041 4.978 1.00 1.46 H new ATOM 806 N GLU A 52 5.744 14.912 0.488 1.00 0.78 N ATOM 807 CA GLU A 52 5.411 15.501 -0.803 1.00 0.89 C ATOM 808 C GLU A 52 5.940 14.602 -1.916 1.00 0.78 C ATOM 809 O GLU A 52 5.501 14.673 -3.063 1.00 0.85 O ATOM 810 CB GLU A 52 6.023 16.896 -0.933 1.00 1.09 C ATOM 811 CG GLU A 52 5.693 17.827 0.225 1.00 1.70 C ATOM 812 CD GLU A 52 4.208 18.062 0.390 1.00 2.16 C ATOM 813 OE1 GLU A 52 3.659 18.935 -0.313 1.00 2.43 O ATOM 814 OE2 GLU A 52 3.586 17.388 1.237 1.00 2.83 O ATOM 0 H GLU A 52 6.434 15.438 1.025 1.00 0.78 H new ATOM 0 HA GLU A 52 4.328 15.591 -0.882 1.00 0.89 H new ATOM 0 HB2 GLU A 52 7.106 16.801 -1.012 1.00 1.09 H new ATOM 0 HB3 GLU A 52 5.675 17.349 -1.861 1.00 1.09 H new ATOM 0 HG2 GLU A 52 6.093 17.406 1.147 1.00 1.70 H new ATOM 0 HG3 GLU A 52 6.191 18.784 0.068 1.00 1.70 H new ATOM 821 N TYR A 53 6.891 13.750 -1.547 1.00 0.65 N ATOM 822 CA TYR A 53 7.493 12.803 -2.473 1.00 0.61 C ATOM 823 C TYR A 53 6.634 11.549 -2.630 1.00 0.52 C ATOM 824 O TYR A 53 7.034 10.616 -3.319 1.00 0.52 O ATOM 825 CB TYR A 53 8.880 12.386 -1.979 1.00 0.62 C ATOM 826 CG TYR A 53 9.935 13.469 -2.033 1.00 0.82 C ATOM 827 CD1 TYR A 53 10.686 13.679 -3.182 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.204 14.255 -0.924 1.00 0.83 C ATOM 829 CE1 TYR A 53 11.668 14.649 -3.223 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.186 15.221 -0.953 1.00 1.01 C ATOM 831 CZ TYR A 53 11.917 15.416 -2.105 1.00 1.25 C ATOM 832 OH TYR A 53 12.904 16.376 -2.139 1.00 1.48 O ATOM 0 H TYR A 53 7.264 13.698 -0.599 1.00 0.65 H new ATOM 0 HA TYR A 53 7.571 13.302 -3.439 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.792 12.038 -0.950 1.00 0.62 H new ATOM 0 HB3 TYR A 53 9.221 11.539 -2.574 1.00 0.62 H new ATOM 0 HD1 TYR A 53 10.499 13.074 -4.057 1.00 1.23 H new ATOM 0 HD2 TYR A 53 9.633 14.108 -0.019 1.00 0.83 H new ATOM 0 HE1 TYR A 53 12.238 14.806 -4.127 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.382 15.822 -0.078 1.00 1.01 H new ATOM 0 HH TYR A 53 12.951 16.828 -1.271 1.00 1.48 H new ATOM 842 N ASP A 54 5.474 11.512 -1.974 1.00 0.52 N ATOM 843 CA ASP A 54 4.599 10.346 -2.058 1.00 0.52 C ATOM 844 C ASP A 54 4.181 10.106 -3.500 1.00 0.57 C ATOM 845 O ASP A 54 3.918 11.049 -4.252 1.00 0.68 O ATOM 846 CB ASP A 54 3.362 10.503 -1.159 1.00 0.65 C ATOM 847 CG ASP A 54 2.249 11.322 -1.790 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.492 12.487 -2.164 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.115 10.808 -1.893 1.00 1.22 O ATOM 0 H ASP A 54 5.123 12.267 -1.385 1.00 0.52 H new ATOM 0 HA ASP A 54 5.158 9.481 -1.702 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.977 9.514 -0.910 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.662 10.974 -0.223 1.00 0.65 H new ATOM 854 N GLN A 55 4.157 8.850 -3.898 1.00 0.54 N ATOM 855 CA GLN A 55 3.790 8.513 -5.255 1.00 0.60 C ATOM 856 C GLN A 55 2.664 7.494 -5.276 1.00 0.46 C ATOM 857 O GLN A 55 2.762 6.415 -4.688 1.00 0.57 O ATOM 858 CB GLN A 55 4.998 8.005 -6.070 1.00 0.78 C ATOM 859 CG GLN A 55 5.648 6.722 -5.557 1.00 0.87 C ATOM 860 CD GLN A 55 6.513 6.930 -4.328 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.043 6.839 -3.202 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.793 7.195 -4.536 1.00 0.81 N ATOM 0 H GLN A 55 4.386 8.052 -3.305 1.00 0.54 H new ATOM 0 HA GLN A 55 3.437 9.429 -5.729 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.677 7.842 -7.099 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.754 8.790 -6.093 1.00 0.78 H new ATOM 0 HG2 GLN A 55 4.868 5.997 -5.324 1.00 0.87 H new ATOM 0 HG3 GLN A 55 6.257 6.290 -6.351 1.00 0.87 H new ATOM 0 HE21 GLN A 55 8.151 7.264 -5.489 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.421 7.330 -3.744 1.00 0.81 H new ATOM 871 N VAL A 56 1.576 7.869 -5.920 1.00 0.41 N ATOM 872 CA VAL A 56 0.491 6.945 -6.186 1.00 0.37 C ATOM 873 C VAL A 56 0.862 6.076 -7.375 1.00 0.36 C ATOM 874 O VAL A 56 1.019 6.568 -8.493 1.00 0.44 O ATOM 875 CB VAL A 56 -0.836 7.678 -6.472 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.937 6.690 -6.837 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.240 8.519 -5.271 1.00 1.08 C ATOM 0 H VAL A 56 1.420 8.814 -6.271 1.00 0.41 H new ATOM 0 HA VAL A 56 0.341 6.333 -5.297 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.687 8.340 -7.325 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.862 7.232 -7.034 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.646 6.134 -7.728 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.092 5.996 -6.011 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.178 9.032 -5.485 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.369 7.874 -4.402 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.463 9.255 -5.064 1.00 1.08 H new ATOM 887 N LEU A 57 1.028 4.791 -7.127 1.00 0.34 N ATOM 888 CA LEU A 57 1.493 3.881 -8.159 1.00 0.39 C ATOM 889 C LEU A 57 0.363 3.512 -9.097 1.00 0.36 C ATOM 890 O LEU A 57 0.464 3.697 -10.312 1.00 0.48 O ATOM 891 CB LEU A 57 2.094 2.615 -7.546 1.00 0.44 C ATOM 892 CG LEU A 57 3.403 2.809 -6.782 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.160 3.421 -5.418 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.122 1.492 -6.629 1.00 0.77 C ATOM 0 H LEU A 57 0.849 4.354 -6.223 1.00 0.34 H new ATOM 0 HA LEU A 57 2.270 4.394 -8.726 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.360 2.177 -6.869 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.263 1.892 -8.344 1.00 0.44 H new ATOM 0 HG LEU A 57 4.024 3.494 -7.359 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.111 3.546 -4.900 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.681 4.393 -5.535 1.00 1.05 H new ATOM 0 HD13 LEU A 57 2.513 2.765 -4.835 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.052 1.647 -6.083 1.00 0.77 H new ATOM 0 HD22 LEU A 57 3.490 0.794 -6.079 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.344 1.082 -7.614 1.00 0.77 H new ATOM 906 N ASP A 58 -0.712 3.000 -8.526 1.00 0.31 N ATOM 907 CA ASP A 58 -1.851 2.553 -9.311 1.00 0.35 C ATOM 908 C ASP A 58 -3.098 2.514 -8.443 1.00 0.33 C ATOM 909 O ASP A 58 -3.014 2.291 -7.232 1.00 0.33 O ATOM 910 CB ASP A 58 -1.567 1.169 -9.913 1.00 0.43 C ATOM 911 CG ASP A 58 -2.665 0.681 -10.846 1.00 0.71 C ATOM 912 OD1 ASP A 58 -3.279 1.517 -11.546 1.00 0.92 O ATOM 913 OD2 ASP A 58 -2.900 -0.546 -10.901 1.00 1.31 O ATOM 0 H ASP A 58 -0.821 2.883 -7.519 1.00 0.31 H new ATOM 0 HA ASP A 58 -2.019 3.256 -10.127 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.625 1.205 -10.460 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.440 0.448 -9.105 1.00 0.43 H new ATOM 918 N SER A 59 -4.238 2.765 -9.059 1.00 0.42 N ATOM 919 CA SER A 59 -5.510 2.733 -8.370 1.00 0.43 C ATOM 920 C SER A 59 -6.533 1.980 -9.208 1.00 0.46 C ATOM 921 O SER A 59 -6.834 2.362 -10.340 1.00 0.58 O ATOM 922 CB SER A 59 -5.983 4.155 -8.070 1.00 0.52 C ATOM 923 OG SER A 59 -5.809 5.000 -9.196 1.00 1.09 O ATOM 0 H SER A 59 -4.306 2.996 -10.050 1.00 0.42 H new ATOM 0 HA SER A 59 -5.393 2.210 -7.421 1.00 0.43 H new ATOM 0 HB2 SER A 59 -7.034 4.139 -7.783 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.427 4.555 -7.222 1.00 0.52 H new ATOM 0 HG SER A 59 -6.058 4.515 -10.010 1.00 1.09 H new ATOM 929 N VAL A 60 -7.047 0.904 -8.649 1.00 0.39 N ATOM 930 CA VAL A 60 -7.956 0.023 -9.358 1.00 0.45 C ATOM 931 C VAL A 60 -9.379 0.210 -8.849 1.00 0.38 C ATOM 932 O VAL A 60 -9.675 -0.072 -7.690 1.00 0.39 O ATOM 933 CB VAL A 60 -7.537 -1.454 -9.201 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.506 -2.377 -9.925 1.00 1.22 C ATOM 935 CG2 VAL A 60 -6.118 -1.662 -9.712 1.00 1.11 C ATOM 0 H VAL A 60 -6.848 0.614 -7.691 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.914 0.283 -10.416 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.565 -1.702 -8.140 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.187 -3.411 -9.798 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.506 -2.252 -9.510 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.520 -2.129 -10.986 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.839 -2.709 -9.594 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -6.067 -1.390 -10.766 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.431 -1.037 -9.142 1.00 1.11 H new ATOM 945 N LEU A 61 -10.247 0.704 -9.717 1.00 0.40 N ATOM 946 CA LEU A 61 -11.628 0.974 -9.349 1.00 0.39 C ATOM 947 C LEU A 61 -12.544 -0.130 -9.858 1.00 0.38 C ATOM 948 O LEU A 61 -12.715 -0.284 -11.066 1.00 0.57 O ATOM 949 CB LEU A 61 -12.089 2.317 -9.920 1.00 0.51 C ATOM 950 CG LEU A 61 -11.279 3.535 -9.476 1.00 0.62 C ATOM 951 CD1 LEU A 61 -10.044 3.724 -10.345 1.00 1.31 C ATOM 952 CD2 LEU A 61 -12.151 4.776 -9.499 1.00 1.34 C ATOM 0 H LEU A 61 -10.018 0.927 -10.686 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.681 1.012 -8.261 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -12.058 2.259 -11.008 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -13.130 2.473 -9.639 1.00 0.51 H new ATOM 0 HG LEU A 61 -10.937 3.365 -8.455 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -9.489 4.598 -10.004 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -9.410 2.841 -10.273 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.347 3.869 -11.382 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -11.565 5.638 -9.181 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -12.521 4.942 -10.511 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -12.994 4.641 -8.822 1.00 1.34 H new ATOM 964 N VAL A 62 -13.128 -0.899 -8.945 1.00 0.27 N ATOM 965 CA VAL A 62 -14.062 -1.945 -9.341 1.00 0.27 C ATOM 966 C VAL A 62 -15.490 -1.410 -9.297 1.00 0.26 C ATOM 967 O VAL A 62 -16.063 -1.208 -8.225 1.00 0.30 O ATOM 968 CB VAL A 62 -13.945 -3.180 -8.417 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.908 -4.276 -8.851 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.513 -3.698 -8.399 1.00 0.59 C ATOM 0 H VAL A 62 -12.974 -0.820 -7.940 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.814 -2.251 -10.357 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.215 -2.876 -7.406 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.807 -5.134 -8.186 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.930 -3.901 -8.806 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.677 -4.580 -9.872 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.449 -4.567 -7.744 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.216 -3.982 -9.409 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.848 -2.917 -8.031 1.00 0.59 H new ATOM 980 N GLY A 63 -16.027 -1.132 -10.469 1.00 0.28 N ATOM 981 CA GLY A 63 -17.379 -0.639 -10.583 1.00 0.33 C ATOM 982 C GLY A 63 -18.345 -1.702 -11.097 1.00 0.36 C ATOM 983 O GLY A 63 -18.099 -2.268 -12.161 1.00 0.42 O ATOM 0 H GLY A 63 -15.541 -1.241 -11.359 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.717 -0.285 -9.609 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.395 0.218 -11.256 1.00 0.33 H new ATOM 987 N PRO A 64 -19.439 -2.035 -10.388 1.00 0.39 N ATOM 988 CA PRO A 64 -19.668 -1.727 -8.988 1.00 0.39 C ATOM 989 C PRO A 64 -19.428 -2.963 -8.123 1.00 0.38 C ATOM 990 O PRO A 64 -19.329 -4.080 -8.641 1.00 0.41 O ATOM 991 CB PRO A 64 -21.146 -1.345 -8.991 1.00 0.48 C ATOM 992 CG PRO A 64 -21.758 -2.176 -10.079 1.00 0.55 C ATOM 993 CD PRO A 64 -20.626 -2.694 -10.946 1.00 0.48 C ATOM 0 HA PRO A 64 -19.013 -0.954 -8.587 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.610 -1.553 -8.027 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.278 -0.281 -9.185 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.327 -3.004 -9.656 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.454 -1.581 -10.671 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.544 -3.780 -10.893 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.773 -2.436 -11.995 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.330 -2.785 -6.822 1.00 0.39 N ATOM 1002 CA VAL A 65 -19.029 -3.906 -5.947 1.00 0.40 C ATOM 1003 C VAL A 65 -20.261 -4.312 -5.138 1.00 0.41 C ATOM 1004 O VAL A 65 -20.750 -3.546 -4.312 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.858 -3.587 -4.997 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.934 -4.786 -4.891 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -17.091 -2.364 -5.474 1.00 0.95 C ATOM 0 H VAL A 65 -19.452 -1.889 -6.349 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.733 -4.740 -6.583 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.264 -3.366 -4.010 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.109 -4.552 -4.218 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.489 -5.640 -4.502 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.539 -5.029 -5.877 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.270 -2.159 -4.787 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.692 -2.551 -6.471 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.760 -1.504 -5.506 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.795 -5.515 -5.402 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.970 -6.032 -4.703 1.00 0.48 C ATOM 1019 C PRO A 66 -21.620 -6.720 -3.395 1.00 0.39 C ATOM 1020 O PRO A 66 -20.466 -7.098 -3.171 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.543 -7.031 -5.703 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.355 -7.554 -6.443 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.304 -6.468 -6.416 1.00 0.46 C ATOM 0 HA PRO A 66 -22.662 -5.240 -4.417 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -23.079 -7.834 -5.197 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.251 -6.552 -6.379 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.980 -8.465 -5.976 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.621 -7.808 -7.469 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.326 -6.867 -6.147 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -20.197 -5.992 -7.391 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.630 -6.885 -2.545 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.447 -7.480 -1.230 1.00 0.36 C ATOM 1033 C ALA A 67 -21.866 -8.883 -1.342 1.00 0.34 C ATOM 1034 O ALA A 67 -22.308 -9.697 -2.155 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.762 -7.506 -0.469 1.00 0.40 C ATOM 0 H ALA A 67 -23.591 -6.611 -2.749 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.738 -6.864 -0.676 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.606 -7.954 0.512 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.133 -6.488 -0.348 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.492 -8.094 -1.025 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.863 -9.149 -0.536 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.212 -10.437 -0.556 1.00 0.33 C ATOM 1043 C GLY A 68 -18.728 -10.299 -0.349 1.00 0.27 C ATOM 1044 O GLY A 68 -18.173 -9.211 -0.512 1.00 0.26 O ATOM 0 H GLY A 68 -20.481 -8.489 0.142 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.633 -11.073 0.223 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.405 -10.930 -1.509 1.00 0.33 H new ATOM 1048 N ARG A 69 -18.077 -11.386 0.011 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.657 -11.351 0.285 1.00 0.26 C ATOM 1050 C ARG A 69 -15.854 -11.541 -0.995 1.00 0.26 C ATOM 1051 O ARG A 69 -15.851 -12.615 -1.598 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.297 -12.407 1.322 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.842 -12.375 1.734 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.619 -13.193 2.990 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.007 -14.590 2.813 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.811 -15.247 3.647 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -16.436 -14.595 4.621 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.036 -16.543 3.475 1.00 2.78 N ATOM 0 H ARG A 69 -18.509 -12.304 0.120 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.404 -10.372 0.691 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.920 -12.265 2.205 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.532 -13.393 0.922 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.222 -12.765 0.926 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.531 -11.345 1.906 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.568 -13.142 3.273 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.191 -12.760 3.810 1.00 0.48 H new ATOM 0 HE ARG A 69 -14.641 -15.091 2.004 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -16.300 -13.590 4.731 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -17.052 -15.099 5.259 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -15.593 -17.039 2.702 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -16.652 -17.043 4.116 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.188 -10.477 -1.405 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.390 -10.483 -2.619 1.00 0.24 C ATOM 1074 C HIS A 70 -12.913 -10.558 -2.265 1.00 0.25 C ATOM 1075 O HIS A 70 -12.425 -9.769 -1.456 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.643 -9.214 -3.438 1.00 0.30 C ATOM 1077 CG HIS A 70 -16.069 -9.003 -3.843 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.608 -9.524 -4.996 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -17.061 -8.302 -3.249 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.870 -9.151 -5.098 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -18.168 -8.409 -4.048 1.00 0.47 N ATOM 0 H HIS A 70 -15.184 -9.586 -0.908 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.675 -11.353 -3.211 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.313 -8.352 -2.858 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -14.026 -9.249 -4.336 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.993 -7.759 -2.318 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.543 -9.409 -5.902 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -19.076 -7.984 -3.862 1.00 0.47 H new ATOM 1090 N MET A 71 -12.207 -11.504 -2.858 1.00 0.33 N ATOM 1091 CA MET A 71 -10.771 -11.612 -2.654 1.00 0.38 C ATOM 1092 C MET A 71 -10.051 -11.363 -3.967 1.00 0.38 C ATOM 1093 O MET A 71 -10.113 -12.182 -4.885 1.00 0.48 O ATOM 1094 CB MET A 71 -10.396 -12.988 -2.100 1.00 0.47 C ATOM 1095 CG MET A 71 -8.915 -13.125 -1.776 1.00 0.60 C ATOM 1096 SD MET A 71 -8.486 -14.753 -1.128 1.00 0.80 S ATOM 1097 CE MET A 71 -6.763 -14.497 -0.705 1.00 1.80 C ATOM 0 H MET A 71 -12.602 -12.207 -3.483 1.00 0.33 H new ATOM 0 HA MET A 71 -10.467 -10.862 -1.924 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.977 -13.179 -1.198 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.674 -13.752 -2.826 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.332 -12.933 -2.677 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.636 -12.364 -1.047 1.00 0.60 H new ATOM 0 HE1 MET A 71 -6.399 -15.349 -0.131 1.00 1.80 H new ATOM 0 HE2 MET A 71 -6.175 -14.397 -1.618 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.666 -13.589 -0.109 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.380 -10.231 -4.066 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.716 -9.861 -5.300 1.00 0.31 C ATOM 1109 C PHE A 72 -7.241 -9.578 -5.041 1.00 0.29 C ATOM 1110 O PHE A 72 -6.835 -9.322 -3.906 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.400 -8.641 -5.937 1.00 0.33 C ATOM 1112 CG PHE A 72 -9.020 -7.323 -5.322 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.467 -6.967 -4.059 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.212 -6.436 -6.018 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.112 -5.756 -3.503 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.856 -5.224 -5.465 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.305 -4.883 -4.207 1.00 0.29 C ATOM 0 H PHE A 72 -9.281 -9.554 -3.309 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.790 -10.694 -5.998 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -9.155 -8.616 -6.999 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.480 -8.765 -5.861 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -10.100 -7.645 -3.505 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.858 -6.698 -7.004 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.465 -5.490 -2.517 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.226 -4.542 -6.017 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.026 -3.934 -3.772 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.448 -9.625 -6.095 1.00 0.29 N ATOM 1128 CA VAL A 73 -5.020 -9.396 -5.986 1.00 0.29 C ATOM 1129 C VAL A 73 -4.679 -8.004 -6.495 1.00 0.30 C ATOM 1130 O VAL A 73 -4.791 -7.721 -7.687 1.00 0.47 O ATOM 1131 CB VAL A 73 -4.221 -10.449 -6.781 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -2.724 -10.231 -6.619 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.606 -11.856 -6.348 1.00 1.00 C ATOM 0 H VAL A 73 -6.772 -9.821 -7.042 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.745 -9.481 -4.935 1.00 0.29 H new ATOM 0 HB VAL A 73 -4.469 -10.334 -7.836 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -2.183 -10.986 -7.189 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -2.459 -9.240 -6.986 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -2.457 -10.311 -5.565 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -4.031 -12.583 -6.921 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.394 -11.981 -5.286 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.670 -12.013 -6.526 1.00 1.00 H new ATOM 1143 N PHE A 74 -4.287 -7.134 -5.581 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.928 -5.774 -5.932 1.00 0.25 C ATOM 1145 C PHE A 74 -2.419 -5.680 -6.086 1.00 0.25 C ATOM 1146 O PHE A 74 -1.670 -5.984 -5.156 1.00 0.31 O ATOM 1147 CB PHE A 74 -4.429 -4.801 -4.858 1.00 0.28 C ATOM 1148 CG PHE A 74 -4.293 -3.344 -5.222 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -4.069 -2.950 -6.534 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.388 -2.368 -4.244 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -3.941 -1.614 -6.859 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.263 -1.032 -4.567 1.00 0.44 C ATOM 1153 CZ PHE A 74 -4.039 -0.657 -5.876 1.00 0.31 C ATOM 0 H PHE A 74 -4.209 -7.348 -4.587 1.00 0.26 H new ATOM 0 HA PHE A 74 -4.398 -5.502 -6.877 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -5.478 -5.015 -4.653 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.880 -4.985 -3.935 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -3.994 -3.697 -7.310 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -4.562 -2.655 -3.218 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -3.764 -1.321 -7.883 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -4.340 -0.280 -3.795 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.941 0.388 -6.129 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.978 -5.282 -7.267 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.561 -5.229 -7.568 1.00 0.27 C ATOM 1165 C GLN A 75 -0.188 -3.894 -8.187 1.00 0.32 C ATOM 1166 O GLN A 75 -0.992 -3.271 -8.880 1.00 0.41 O ATOM 1167 CB GLN A 75 -0.174 -6.358 -8.524 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.325 -7.747 -7.932 1.00 0.49 C ATOM 1169 CD GLN A 75 0.088 -8.839 -8.898 1.00 0.52 C ATOM 1170 OE1 GLN A 75 -0.098 -8.599 -10.186 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.573 -9.892 -8.491 1.00 1.12 N flip ATOM 0 H GLN A 75 -2.584 -4.990 -8.034 1.00 0.24 H new ATOM 0 HA GLN A 75 -0.017 -5.348 -6.631 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.789 -6.288 -9.421 1.00 0.32 H new ATOM 0 HB3 GLN A 75 0.861 -6.218 -8.836 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.278 -7.820 -7.027 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.363 -7.901 -7.637 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.701 -10.041 -7.490 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.847 -10.617 -9.154 1.00 1.12 H new ATOM 1180 N ALA A 76 1.029 -3.462 -7.913 1.00 0.36 N ATOM 1181 CA ALA A 76 1.604 -2.283 -8.545 1.00 0.46 C ATOM 1182 C ALA A 76 3.111 -2.447 -8.584 1.00 0.40 C ATOM 1183 O ALA A 76 3.669 -3.061 -7.687 1.00 0.48 O ATOM 1184 CB ALA A 76 1.220 -1.020 -7.789 1.00 0.56 C ATOM 0 H ALA A 76 1.650 -3.918 -7.245 1.00 0.36 H new ATOM 0 HA ALA A 76 1.216 -2.185 -9.559 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.662 -0.153 -8.281 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.135 -0.918 -7.779 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.588 -1.083 -6.765 1.00 0.56 H new ATOM 1190 N ASP A 77 3.767 -1.921 -9.611 1.00 0.56 N ATOM 1191 CA ASP A 77 5.215 -2.102 -9.766 1.00 0.61 C ATOM 1192 C ASP A 77 5.978 -1.331 -8.679 1.00 0.43 C ATOM 1193 O ASP A 77 5.403 -0.947 -7.666 1.00 0.47 O ATOM 1194 CB ASP A 77 5.655 -1.649 -11.162 1.00 0.95 C ATOM 1195 CG ASP A 77 6.953 -2.297 -11.612 1.00 1.54 C ATOM 1196 OD1 ASP A 77 8.033 -1.731 -11.346 1.00 2.06 O ATOM 1197 OD2 ASP A 77 6.898 -3.378 -12.239 1.00 2.13 O ATOM 0 H ASP A 77 3.328 -1.368 -10.347 1.00 0.56 H new ATOM 0 HA ASP A 77 5.448 -3.161 -9.654 1.00 0.61 H new ATOM 0 HB2 ASP A 77 4.869 -1.885 -11.880 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.775 -0.566 -11.166 1.00 0.95 H new ATOM 1202 N ALA A 78 7.270 -1.117 -8.876 1.00 0.45 N ATOM 1203 CA ALA A 78 8.070 -0.392 -7.906 1.00 0.36 C ATOM 1204 C ALA A 78 7.719 1.091 -7.922 1.00 0.37 C ATOM 1205 O ALA A 78 7.460 1.661 -8.986 1.00 0.46 O ATOM 1206 CB ALA A 78 9.549 -0.597 -8.191 1.00 0.40 C ATOM 0 H ALA A 78 7.784 -1.435 -9.697 1.00 0.45 H new ATOM 0 HA ALA A 78 7.850 -0.781 -6.912 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.140 -0.049 -7.458 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.788 -1.659 -8.129 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.781 -0.231 -9.191 1.00 0.40 H new ATOM 1212 N PRO A 79 7.684 1.725 -6.740 1.00 0.34 N ATOM 1213 CA PRO A 79 7.397 3.157 -6.613 1.00 0.43 C ATOM 1214 C PRO A 79 8.486 4.007 -7.266 1.00 0.41 C ATOM 1215 O PRO A 79 9.615 3.544 -7.425 1.00 0.47 O ATOM 1216 CB PRO A 79 7.383 3.388 -5.098 1.00 0.47 C ATOM 1217 CG PRO A 79 8.172 2.262 -4.529 1.00 0.53 C ATOM 1218 CD PRO A 79 7.929 1.091 -5.435 1.00 0.33 C ATOM 0 HA PRO A 79 6.465 3.437 -7.105 1.00 0.43 H new ATOM 0 HB2 PRO A 79 7.827 4.350 -4.841 1.00 0.47 H new ATOM 0 HB3 PRO A 79 6.365 3.393 -4.709 1.00 0.47 H new ATOM 0 HG2 PRO A 79 9.233 2.510 -4.487 1.00 0.53 H new ATOM 0 HG3 PRO A 79 7.856 2.040 -3.510 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.788 0.421 -5.467 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.075 0.498 -5.108 1.00 0.33 H new ATOM 1226 N ASN A 80 8.138 5.238 -7.643 1.00 0.43 N ATOM 1227 CA ASN A 80 9.089 6.158 -8.278 1.00 0.46 C ATOM 1228 C ASN A 80 10.383 6.257 -7.475 1.00 0.40 C ATOM 1229 O ASN A 80 10.391 6.803 -6.370 1.00 0.39 O ATOM 1230 CB ASN A 80 8.490 7.564 -8.418 1.00 0.56 C ATOM 1231 CG ASN A 80 7.304 7.633 -9.363 1.00 1.33 C ATOM 1232 OD1 ASN A 80 6.528 6.686 -9.485 1.00 2.19 O ATOM 1233 ND2 ASN A 80 7.158 8.765 -10.037 1.00 1.59 N ATOM 0 H ASN A 80 7.202 5.624 -7.520 1.00 0.43 H new ATOM 0 HA ASN A 80 9.306 5.754 -9.267 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.180 7.916 -7.434 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.264 8.245 -8.771 1.00 0.56 H new ATOM 0 HD21 ASN A 80 6.379 8.875 -10.686 1.00 1.59 H new ATOM 0 HD22 ASN A 80 7.824 9.526 -9.906 1.00 1.59 H new ATOM 1240 N PRO A 81 11.493 5.736 -8.025 1.00 0.41 N ATOM 1241 CA PRO A 81 12.792 5.748 -7.347 1.00 0.41 C ATOM 1242 C PRO A 81 13.285 7.169 -7.091 1.00 0.43 C ATOM 1243 O PRO A 81 13.898 7.449 -6.064 1.00 0.48 O ATOM 1244 CB PRO A 81 13.728 5.028 -8.325 1.00 0.47 C ATOM 1245 CG PRO A 81 12.830 4.275 -9.243 1.00 0.54 C ATOM 1246 CD PRO A 81 11.572 5.087 -9.345 1.00 0.48 C ATOM 0 HA PRO A 81 12.743 5.272 -6.368 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.346 5.739 -8.874 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.406 4.356 -7.799 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.292 4.145 -10.222 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.621 3.278 -8.855 1.00 0.54 H new ATOM 0 HD2 PRO A 81 11.627 5.818 -10.152 1.00 0.48 H new ATOM 0 HD3 PRO A 81 10.701 4.461 -9.540 1.00 0.48 H new ATOM 1254 N GLY A 82 12.995 8.061 -8.030 1.00 0.45 N ATOM 1255 CA GLY A 82 13.388 9.451 -7.898 1.00 0.49 C ATOM 1256 C GLY A 82 12.655 10.167 -6.779 1.00 0.48 C ATOM 1257 O GLY A 82 13.066 11.244 -6.351 1.00 0.51 O ATOM 0 H GLY A 82 12.490 7.843 -8.889 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.461 9.504 -7.715 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.199 9.968 -8.839 1.00 0.49 H new ATOM 1261 N LEU A 83 11.567 9.579 -6.300 1.00 0.46 N ATOM 1262 CA LEU A 83 10.816 10.174 -5.203 1.00 0.49 C ATOM 1263 C LEU A 83 11.231 9.575 -3.868 1.00 0.46 C ATOM 1264 O LEU A 83 10.967 10.157 -2.820 1.00 0.52 O ATOM 1265 CB LEU A 83 9.311 10.020 -5.417 1.00 0.52 C ATOM 1266 CG LEU A 83 8.710 10.954 -6.470 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.225 10.680 -6.649 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.936 12.409 -6.086 1.00 1.34 C ATOM 0 H LEU A 83 11.188 8.699 -6.650 1.00 0.46 H new ATOM 0 HA LEU A 83 11.048 11.239 -5.185 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.104 8.990 -5.706 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.804 10.193 -4.468 1.00 0.52 H new ATOM 0 HG LEU A 83 9.212 10.763 -7.418 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.819 11.355 -7.402 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.082 9.649 -6.971 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.709 10.839 -5.702 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.502 13.058 -6.847 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.463 12.609 -5.125 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.006 12.604 -6.011 1.00 1.34 H new ATOM 1280 N ILE A 84 11.885 8.421 -3.906 1.00 0.41 N ATOM 1281 CA ILE A 84 12.437 7.835 -2.696 1.00 0.40 C ATOM 1282 C ILE A 84 13.799 8.465 -2.412 1.00 0.46 C ATOM 1283 O ILE A 84 14.771 8.218 -3.127 1.00 0.52 O ATOM 1284 CB ILE A 84 12.577 6.304 -2.812 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.232 5.684 -3.201 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.071 5.718 -1.496 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.282 4.185 -3.395 1.00 0.33 C ATOM 0 H ILE A 84 12.044 7.878 -4.755 1.00 0.41 H new ATOM 0 HA ILE A 84 11.750 8.037 -1.874 1.00 0.40 H new ATOM 0 HB ILE A 84 13.307 6.074 -3.588 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.499 5.916 -2.429 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.882 6.148 -4.123 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.165 4.636 -1.592 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.042 6.146 -1.249 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.359 5.951 -0.704 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.292 3.820 -3.669 1.00 0.33 H new ATOM 0 HD12 ILE A 84 11.990 3.944 -4.188 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.601 3.709 -2.468 1.00 0.33 H new ATOM 1299 N PRO A 85 13.877 9.309 -1.375 1.00 0.48 N ATOM 1300 CA PRO A 85 15.043 10.145 -1.096 1.00 0.57 C ATOM 1301 C PRO A 85 16.194 9.379 -0.464 1.00 0.56 C ATOM 1302 O PRO A 85 16.013 8.291 0.082 1.00 0.55 O ATOM 1303 CB PRO A 85 14.503 11.198 -0.109 1.00 0.68 C ATOM 1304 CG PRO A 85 13.029 10.986 -0.091 1.00 0.81 C ATOM 1305 CD PRO A 85 12.844 9.532 -0.370 1.00 0.50 C ATOM 0 HA PRO A 85 15.458 10.561 -2.014 1.00 0.57 H new ATOM 0 HB2 PRO A 85 14.933 11.066 0.884 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.753 12.208 -0.433 1.00 0.68 H new ATOM 0 HG2 PRO A 85 12.603 11.260 0.874 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.533 11.599 -0.844 1.00 0.81 H new ATOM 0 HD2 PRO A 85 12.994 8.919 0.519 1.00 0.50 H new ATOM 0 HD3 PRO A 85 11.846 9.308 -0.747 1.00 0.50 H new ATOM 1313 N ASP A 86 17.372 9.982 -0.540 1.00 0.67 N ATOM 1314 CA ASP A 86 18.599 9.434 0.035 1.00 0.76 C ATOM 1315 C ASP A 86 18.381 8.964 1.472 1.00 0.78 C ATOM 1316 O ASP A 86 18.780 7.862 1.848 1.00 0.86 O ATOM 1317 CB ASP A 86 19.680 10.520 0.001 1.00 0.98 C ATOM 1318 CG ASP A 86 20.987 10.097 0.635 1.00 1.52 C ATOM 1319 OD1 ASP A 86 21.082 10.105 1.880 1.00 2.29 O ATOM 1320 OD2 ASP A 86 21.936 9.793 -0.110 1.00 1.92 O ATOM 0 H ASP A 86 17.507 10.878 -1.008 1.00 0.67 H new ATOM 0 HA ASP A 86 18.908 8.568 -0.551 1.00 0.76 H new ATOM 0 HB2 ASP A 86 19.864 10.805 -1.035 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.308 11.407 0.514 1.00 0.98 H new ATOM 1325 N ALA A 87 17.711 9.794 2.257 1.00 0.83 N ATOM 1326 CA ALA A 87 17.520 9.527 3.675 1.00 0.99 C ATOM 1327 C ALA A 87 16.493 8.423 3.929 1.00 0.90 C ATOM 1328 O ALA A 87 16.547 7.747 4.957 1.00 1.07 O ATOM 1329 CB ALA A 87 17.101 10.804 4.384 1.00 1.25 C ATOM 0 H ALA A 87 17.288 10.664 1.933 1.00 0.83 H new ATOM 0 HA ALA A 87 18.472 9.175 4.073 1.00 0.99 H new ATOM 0 HB1 ALA A 87 16.959 10.601 5.445 1.00 1.25 H new ATOM 0 HB2 ALA A 87 17.876 11.560 4.260 1.00 1.25 H new ATOM 0 HB3 ALA A 87 16.167 11.168 3.956 1.00 1.25 H new ATOM 1335 N ASP A 88 15.570 8.227 2.999 1.00 0.76 N ATOM 1336 CA ASP A 88 14.458 7.304 3.230 1.00 0.78 C ATOM 1337 C ASP A 88 14.607 6.010 2.444 1.00 0.62 C ATOM 1338 O ASP A 88 13.912 5.030 2.720 1.00 0.64 O ATOM 1339 CB ASP A 88 13.127 7.969 2.886 1.00 0.99 C ATOM 1340 CG ASP A 88 12.845 9.168 3.760 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.830 9.015 4.997 1.00 1.68 O ATOM 1342 OD2 ASP A 88 12.637 10.271 3.216 1.00 1.94 O ATOM 0 H ASP A 88 15.564 8.685 2.088 1.00 0.76 H new ATOM 0 HA ASP A 88 14.474 7.050 4.290 1.00 0.78 H new ATOM 0 HB2 ASP A 88 13.137 8.278 1.841 1.00 0.99 H new ATOM 0 HB3 ASP A 88 12.321 7.243 2.997 1.00 0.99 H new ATOM 1347 N ALA A 89 15.502 6.004 1.466 1.00 0.54 N ATOM 1348 CA ALA A 89 15.747 4.808 0.668 1.00 0.49 C ATOM 1349 C ALA A 89 16.308 3.690 1.534 1.00 0.44 C ATOM 1350 O ALA A 89 15.955 2.527 1.375 1.00 0.51 O ATOM 1351 CB ALA A 89 16.694 5.120 -0.480 1.00 0.48 C ATOM 0 H ALA A 89 16.070 6.811 1.206 1.00 0.54 H new ATOM 0 HA ALA A 89 14.797 4.473 0.251 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.866 4.217 -1.065 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.253 5.887 -1.117 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.642 5.480 -0.082 1.00 0.48 H new ATOM 1357 N VAL A 90 17.172 4.058 2.467 1.00 0.41 N ATOM 1358 CA VAL A 90 17.775 3.095 3.378 1.00 0.43 C ATOM 1359 C VAL A 90 16.978 3.051 4.686 1.00 0.43 C ATOM 1360 O VAL A 90 17.543 2.959 5.776 1.00 0.49 O ATOM 1361 CB VAL A 90 19.248 3.463 3.684 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.001 2.273 4.266 1.00 0.56 C ATOM 1363 CG2 VAL A 90 19.948 3.978 2.435 1.00 0.54 C ATOM 0 H VAL A 90 17.473 5.021 2.614 1.00 0.41 H new ATOM 0 HA VAL A 90 17.756 2.116 2.899 1.00 0.43 H new ATOM 0 HB VAL A 90 19.244 4.259 4.429 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.032 2.560 4.471 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.521 1.957 5.192 1.00 0.56 H new ATOM 0 HG13 VAL A 90 19.989 1.450 3.552 1.00 0.56 H new ATOM 0 HG21 VAL A 90 20.981 4.230 2.675 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.932 3.207 1.665 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.433 4.867 2.070 1.00 0.54 H new ATOM 1373 N GLY A 91 15.659 3.108 4.579 1.00 0.42 N ATOM 1374 CA GLY A 91 14.843 3.255 5.767 1.00 0.46 C ATOM 1375 C GLY A 91 13.453 2.671 5.624 1.00 0.43 C ATOM 1376 O GLY A 91 13.195 1.846 4.745 1.00 0.62 O ATOM 0 H GLY A 91 15.143 3.056 3.701 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.346 2.773 6.605 1.00 0.46 H new ATOM 0 HA3 GLY A 91 14.760 4.314 6.012 1.00 0.46 H new ATOM 1380 N VAL A 92 12.553 3.120 6.490 1.00 0.40 N ATOM 1381 CA VAL A 92 11.199 2.591 6.547 1.00 0.38 C ATOM 1382 C VAL A 92 10.221 3.518 5.837 1.00 0.36 C ATOM 1383 O VAL A 92 10.126 4.702 6.160 1.00 0.55 O ATOM 1384 CB VAL A 92 10.733 2.396 8.008 1.00 0.50 C ATOM 1385 CG1 VAL A 92 9.333 1.803 8.059 1.00 1.07 C ATOM 1386 CG2 VAL A 92 11.711 1.521 8.778 1.00 1.23 C ATOM 0 H VAL A 92 12.741 3.858 7.169 1.00 0.40 H new ATOM 0 HA VAL A 92 11.214 1.624 6.044 1.00 0.38 H new ATOM 0 HB VAL A 92 10.705 3.377 8.482 1.00 0.50 H new ATOM 0 HG11 VAL A 92 9.029 1.676 9.098 1.00 1.07 H new ATOM 0 HG12 VAL A 92 8.636 2.473 7.556 1.00 1.07 H new ATOM 0 HG13 VAL A 92 9.330 0.834 7.559 1.00 1.07 H new ATOM 0 HG21 VAL A 92 11.361 1.399 9.803 1.00 1.23 H new ATOM 0 HG22 VAL A 92 11.780 0.544 8.299 1.00 1.23 H new ATOM 0 HG23 VAL A 92 12.694 1.992 8.784 1.00 1.23 H new ATOM 1396 N THR A 93 9.499 2.967 4.875 1.00 0.28 N ATOM 1397 CA THR A 93 8.473 3.702 4.164 1.00 0.28 C ATOM 1398 C THR A 93 7.151 2.960 4.234 1.00 0.27 C ATOM 1399 O THR A 93 7.116 1.728 4.232 1.00 0.41 O ATOM 1400 CB THR A 93 8.860 3.935 2.694 1.00 0.35 C ATOM 1401 OG1 THR A 93 9.867 2.998 2.288 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.357 5.350 2.492 1.00 0.59 C ATOM 0 H THR A 93 9.609 2.001 4.568 1.00 0.28 H new ATOM 0 HA THR A 93 8.371 4.674 4.646 1.00 0.28 H new ATOM 0 HB THR A 93 7.972 3.787 2.079 1.00 0.35 H new ATOM 0 HG1 THR A 93 9.558 2.507 1.498 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.626 5.495 1.446 1.00 0.59 H new ATOM 0 HG22 THR A 93 8.571 6.054 2.766 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.232 5.521 3.119 1.00 0.59 H new ATOM 1410 N VAL A 94 6.068 3.706 4.309 1.00 0.25 N ATOM 1411 CA VAL A 94 4.755 3.112 4.436 1.00 0.25 C ATOM 1412 C VAL A 94 4.104 2.945 3.068 1.00 0.24 C ATOM 1413 O VAL A 94 4.074 3.875 2.263 1.00 0.28 O ATOM 1414 CB VAL A 94 3.840 3.968 5.339 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.516 3.265 5.592 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.531 4.293 6.654 1.00 0.32 C ATOM 0 H VAL A 94 6.072 4.726 4.284 1.00 0.25 H new ATOM 0 HA VAL A 94 4.883 2.132 4.895 1.00 0.25 H new ATOM 0 HB VAL A 94 3.635 4.904 4.819 1.00 0.30 H new ATOM 0 HG11 VAL A 94 1.889 3.888 6.230 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.009 3.092 4.643 1.00 0.36 H new ATOM 0 HG13 VAL A 94 2.699 2.310 6.084 1.00 0.36 H new ATOM 0 HG21 VAL A 94 3.868 4.897 7.274 1.00 0.32 H new ATOM 0 HG22 VAL A 94 4.773 3.367 7.176 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.448 4.848 6.456 1.00 0.32 H new ATOM 1426 N VAL A 95 3.615 1.750 2.806 1.00 0.22 N ATOM 1427 CA VAL A 95 2.798 1.502 1.639 1.00 0.22 C ATOM 1428 C VAL A 95 1.358 1.361 2.098 1.00 0.24 C ATOM 1429 O VAL A 95 0.991 0.400 2.775 1.00 0.34 O ATOM 1430 CB VAL A 95 3.256 0.254 0.835 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.372 -0.983 1.716 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.313 -0.005 -0.333 1.00 0.60 C ATOM 0 H VAL A 95 3.772 0.930 3.392 1.00 0.22 H new ATOM 0 HA VAL A 95 2.901 2.342 0.953 1.00 0.22 H new ATOM 0 HB VAL A 95 4.251 0.466 0.444 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.695 -1.831 1.112 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.102 -0.801 2.505 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.403 -1.204 2.163 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.650 -0.883 -0.885 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.305 -0.178 0.044 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.309 0.860 -0.996 1.00 0.60 H new ATOM 1442 N LEU A 96 0.558 2.351 1.779 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.787 2.411 2.302 1.00 0.26 C ATOM 1444 C LEU A 96 -1.817 2.216 1.209 1.00 0.24 C ATOM 1445 O LEU A 96 -1.800 2.894 0.180 1.00 0.38 O ATOM 1446 CB LEU A 96 -1.039 3.721 3.060 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.525 4.992 2.384 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -1.522 6.123 2.557 1.00 1.13 C ATOM 1449 CD2 LEU A 96 0.827 5.393 2.962 1.00 1.21 C ATOM 0 H LEU A 96 0.813 3.123 1.163 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.891 1.590 3.011 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -2.112 3.826 3.219 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -0.577 3.644 4.044 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.404 4.791 1.320 1.00 0.61 H new ATOM 0 HD11 LEU A 96 -1.142 7.021 2.070 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -2.474 5.841 2.106 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.668 6.320 3.619 1.00 1.13 H new ATOM 0 HD21 LEU A 96 1.179 6.300 2.470 1.00 1.21 H new ATOM 0 HD22 LEU A 96 0.725 5.577 4.032 1.00 1.21 H new ATOM 0 HD23 LEU A 96 1.545 4.590 2.799 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.701 1.267 1.447 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.796 0.999 0.542 1.00 0.24 C ATOM 1463 C ILE A 97 -5.026 1.755 1.004 1.00 0.26 C ATOM 1464 O ILE A 97 -5.614 1.436 2.043 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.124 -0.506 0.475 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.880 -1.312 0.092 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.249 -0.751 -0.524 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -3.082 -2.809 0.171 1.00 0.30 C ATOM 0 H ILE A 97 -2.679 0.664 2.269 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.497 1.327 -0.454 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.452 -0.836 1.460 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.583 -1.047 -0.923 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.057 -1.029 0.749 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.474 -1.817 -0.565 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.139 -0.204 -0.212 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.940 -0.408 -1.511 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.160 -3.316 -0.114 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.349 -3.087 1.191 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.883 -3.104 -0.507 1.00 0.30 H new ATOM 1480 N THR A 98 -5.384 2.780 0.262 1.00 0.29 N ATOM 1481 CA THR A 98 -6.546 3.570 0.586 1.00 0.33 C ATOM 1482 C THR A 98 -7.679 3.246 -0.374 1.00 0.28 C ATOM 1483 O THR A 98 -7.454 2.997 -1.559 1.00 0.37 O ATOM 1484 CB THR A 98 -6.233 5.079 0.541 1.00 0.43 C ATOM 1485 OG1 THR A 98 -5.724 5.444 -0.746 1.00 1.42 O ATOM 1486 CG2 THR A 98 -5.218 5.459 1.609 1.00 1.07 C ATOM 0 H THR A 98 -4.883 3.085 -0.573 1.00 0.29 H new ATOM 0 HA THR A 98 -6.849 3.320 1.603 1.00 0.33 H new ATOM 0 HB THR A 98 -7.162 5.616 0.732 1.00 0.43 H new ATOM 0 HG1 THR A 98 -5.861 6.403 -0.892 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.016 6.529 1.555 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.617 5.215 2.594 1.00 1.07 H new ATOM 0 HG23 THR A 98 -4.293 4.906 1.445 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.886 3.206 0.146 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.046 2.952 -0.681 1.00 0.29 C ATOM 1496 C CYS A 99 -10.870 4.220 -0.833 1.00 0.31 C ATOM 1497 O CYS A 99 -11.478 4.699 0.126 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.893 1.841 -0.080 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.981 0.313 0.209 1.00 1.32 S ATOM 0 H CYS A 99 -9.090 3.346 1.136 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.708 2.634 -1.667 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.314 2.187 0.864 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.731 1.634 -0.746 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.870 -0.344 -0.907 1.00 1.32 H new ATOM 1505 N THR A 100 -10.873 4.761 -2.036 1.00 0.34 N ATOM 1506 CA THR A 100 -11.593 5.985 -2.319 1.00 0.38 C ATOM 1507 C THR A 100 -13.040 5.683 -2.692 1.00 0.37 C ATOM 1508 O THR A 100 -13.306 4.955 -3.652 1.00 0.41 O ATOM 1509 CB THR A 100 -10.926 6.758 -3.472 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.506 6.796 -3.283 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.461 8.178 -3.555 1.00 0.50 C ATOM 0 H THR A 100 -10.380 4.368 -2.838 1.00 0.34 H new ATOM 0 HA THR A 100 -11.572 6.597 -1.417 1.00 0.38 H new ATOM 0 HB THR A 100 -11.158 6.241 -4.403 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.058 6.547 -4.118 1.00 0.47 H new ATOM 0 HG21 THR A 100 -10.974 8.703 -4.377 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.537 8.152 -3.728 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.256 8.699 -2.620 1.00 0.50 H new ATOM 1519 N TYR A 101 -13.970 6.215 -1.916 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.378 6.125 -2.250 1.00 0.40 C ATOM 1521 C TYR A 101 -15.998 7.508 -2.137 1.00 0.44 C ATOM 1522 O TYR A 101 -15.849 8.172 -1.110 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.105 5.152 -1.326 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.373 4.591 -1.922 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.320 3.561 -2.852 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.620 5.077 -1.554 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.470 3.030 -3.394 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -19.778 4.552 -2.096 1.00 0.73 C ATOM 1529 CZ TYR A 101 -19.696 3.528 -3.014 1.00 0.56 C ATOM 1530 OH TYR A 101 -20.844 2.990 -3.552 1.00 0.65 O ATOM 0 H TYR A 101 -13.772 6.714 -1.049 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.475 5.751 -3.269 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.435 4.329 -1.077 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.345 5.660 -0.392 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.360 3.169 -3.156 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.686 5.878 -0.833 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.410 2.227 -4.114 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.741 4.942 -1.802 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.626 3.450 -3.181 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.652 7.956 -3.202 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.245 9.291 -3.258 1.00 0.59 C ATOM 1542 C ARG A 102 -16.163 10.369 -3.205 1.00 0.57 C ATOM 1543 O ARG A 102 -16.453 11.543 -2.964 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.255 9.499 -2.119 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.439 8.545 -2.159 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.145 8.598 -3.500 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.416 7.873 -3.498 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.171 7.712 -4.586 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -21.703 8.068 -5.778 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.369 7.152 -4.492 1.00 2.45 N ATOM 0 H ARG A 102 -16.787 7.407 -4.051 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.776 9.375 -4.206 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -17.740 9.383 -1.165 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -18.626 10.523 -2.159 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.096 7.528 -1.966 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.141 8.800 -1.366 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -20.325 9.638 -3.770 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -19.493 8.178 -4.266 1.00 0.86 H new ATOM 0 HE ARG A 102 -21.742 7.470 -2.619 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -20.767 8.464 -5.861 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.280 7.945 -6.610 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -23.717 6.842 -3.585 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.942 7.031 -5.327 1.00 2.45 H new ATOM 1564 N GLY A 103 -14.917 9.966 -3.437 1.00 0.52 N ATOM 1565 CA GLY A 103 -13.809 10.899 -3.395 1.00 0.53 C ATOM 1566 C GLY A 103 -13.155 10.924 -2.031 1.00 0.49 C ATOM 1567 O GLY A 103 -12.125 11.570 -1.828 1.00 0.57 O ATOM 0 H GLY A 103 -14.656 9.004 -3.654 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.071 10.623 -4.148 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.164 11.898 -3.648 1.00 0.53 H new ATOM 1571 N GLN A 104 -13.755 10.202 -1.099 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.283 10.155 0.272 1.00 0.44 C ATOM 1573 C GLN A 104 -12.786 8.757 0.610 1.00 0.37 C ATOM 1574 O GLN A 104 -13.455 7.763 0.332 1.00 0.37 O ATOM 1575 CB GLN A 104 -14.415 10.564 1.210 1.00 0.51 C ATOM 1576 CG GLN A 104 -14.879 11.995 1.001 1.00 0.66 C ATOM 1577 CD GLN A 104 -15.990 12.395 1.946 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -16.828 11.440 2.320 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -16.105 13.558 2.332 1.00 0.98 N flip ATOM 0 H GLN A 104 -14.583 9.632 -1.273 1.00 0.45 H new ATOM 0 HA GLN A 104 -12.451 10.849 0.394 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.260 9.890 1.065 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.085 10.443 2.242 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -14.033 12.670 1.135 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.222 12.115 -0.027 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -15.440 14.266 2.022 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -16.866 13.813 2.962 1.00 0.98 H new ATOM 1588 N GLU A 105 -11.606 8.685 1.195 1.00 0.36 N ATOM 1589 CA GLU A 105 -10.997 7.407 1.530 1.00 0.32 C ATOM 1590 C GLU A 105 -11.413 6.984 2.934 1.00 0.32 C ATOM 1591 O GLU A 105 -11.109 7.666 3.908 1.00 0.43 O ATOM 1592 CB GLU A 105 -9.478 7.519 1.406 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.032 7.956 0.015 1.00 0.49 C ATOM 1594 CD GLU A 105 -7.577 8.379 -0.042 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -7.181 9.269 0.743 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -6.825 7.850 -0.889 1.00 1.59 O ATOM 0 H GLU A 105 -11.046 9.499 1.450 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.341 6.640 0.836 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -9.109 8.233 2.142 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.026 6.556 1.642 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.193 7.136 -0.685 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -9.658 8.785 -0.316 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.125 5.862 3.020 1.00 0.26 N ATOM 1604 CA PHE A 106 -12.723 5.409 4.279 1.00 0.27 C ATOM 1605 C PHE A 106 -11.834 4.414 5.013 1.00 0.26 C ATOM 1606 O PHE A 106 -12.155 3.983 6.116 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.091 4.772 4.015 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.064 3.686 2.973 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.168 4.002 1.630 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -13.934 2.353 3.334 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.142 3.016 0.668 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.910 1.362 2.370 1.00 0.31 C ATOM 1613 CZ PHE A 106 -14.014 1.700 1.035 1.00 0.31 C ATOM 0 H PHE A 106 -12.304 5.245 2.228 1.00 0.26 H new ATOM 0 HA PHE A 106 -12.837 6.288 4.914 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.475 4.359 4.948 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -14.788 5.548 3.700 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.271 5.035 1.332 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.851 2.087 4.377 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.222 3.279 -0.376 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.810 0.327 2.660 1.00 0.31 H new ATOM 0 HZ PHE A 106 -13.995 0.928 0.280 1.00 0.31 H new ATOM 1623 N ILE A 107 -10.741 4.024 4.395 1.00 0.24 N ATOM 1624 CA ILE A 107 -9.813 3.103 5.023 1.00 0.24 C ATOM 1625 C ILE A 107 -8.423 3.280 4.434 1.00 0.22 C ATOM 1626 O ILE A 107 -8.273 3.658 3.270 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.259 1.625 4.898 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.385 0.730 5.793 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.208 1.162 3.451 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.683 -0.751 5.661 1.00 0.37 C ATOM 0 H ILE A 107 -10.471 4.328 3.460 1.00 0.24 H new ATOM 0 HA ILE A 107 -9.797 3.342 6.086 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.293 1.546 5.234 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.337 0.903 5.549 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.524 1.027 6.833 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.526 0.121 3.391 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -10.873 1.780 2.848 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.189 1.252 3.076 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -9.026 -1.315 6.323 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.721 -0.939 5.934 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.516 -1.065 4.631 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.420 3.025 5.247 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.045 3.102 4.825 1.00 0.24 C ATOM 1644 C ARG A 108 -5.232 2.014 5.511 1.00 0.24 C ATOM 1645 O ARG A 108 -5.069 2.032 6.734 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.486 4.471 5.177 1.00 0.29 C ATOM 1647 CG ARG A 108 -3.998 4.597 4.953 1.00 0.34 C ATOM 1648 CD ARG A 108 -3.466 5.850 5.615 1.00 0.58 C ATOM 1649 NE ARG A 108 -3.741 5.860 7.054 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.157 6.703 7.913 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -2.273 7.593 7.477 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.432 6.636 9.211 1.00 0.95 N ATOM 0 H ARG A 108 -7.540 2.757 6.224 1.00 0.23 H new ATOM 0 HA ARG A 108 -5.987 2.956 3.746 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -5.999 5.227 4.582 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -5.706 4.685 6.223 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.488 3.722 5.356 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -3.786 4.626 3.884 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.391 5.921 5.449 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -3.919 6.727 5.152 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.414 5.188 7.421 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -2.038 7.635 6.485 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -1.829 8.235 8.134 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.091 5.939 9.557 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -2.984 7.281 9.861 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.751 1.059 4.731 1.00 0.22 N ATOM 1667 CA VAL A 109 -3.891 0.011 5.256 1.00 0.22 C ATOM 1668 C VAL A 109 -2.432 0.435 5.174 1.00 0.24 C ATOM 1669 O VAL A 109 -1.838 0.419 4.098 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.068 -1.319 4.497 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.040 -2.338 4.967 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.482 -1.855 4.681 1.00 0.27 C ATOM 0 H VAL A 109 -4.942 0.988 3.732 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.180 -0.146 6.295 1.00 0.22 H new ATOM 0 HB VAL A 109 -3.909 -1.136 3.434 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.178 -3.272 4.422 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.037 -1.954 4.782 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.168 -2.519 6.034 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.589 -2.794 4.138 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.672 -2.025 5.741 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.199 -1.130 4.296 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.869 0.828 6.303 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.487 1.247 6.333 1.00 0.25 C ATOM 1684 C GLY A 110 0.461 0.100 6.603 1.00 0.21 C ATOM 1685 O GLY A 110 0.588 -0.353 7.740 1.00 0.27 O ATOM 0 H GLY A 110 -2.347 0.864 7.203 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.230 1.709 5.380 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.358 2.009 7.102 1.00 0.25 H new ATOM 1689 N TYR A 111 1.116 -0.384 5.560 1.00 0.23 N ATOM 1690 CA TYR A 111 2.123 -1.424 5.714 1.00 0.24 C ATOM 1691 C TYR A 111 3.515 -0.817 5.735 1.00 0.23 C ATOM 1692 O TYR A 111 3.902 -0.095 4.820 1.00 0.27 O ATOM 1693 CB TYR A 111 2.017 -2.466 4.601 1.00 0.32 C ATOM 1694 CG TYR A 111 1.011 -3.553 4.892 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.039 -4.239 6.099 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.033 -3.894 3.967 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.124 -5.235 6.377 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.885 -4.892 4.237 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.836 -5.558 5.445 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.744 -6.556 5.714 1.00 0.40 O ATOM 0 H TYR A 111 0.970 -0.075 4.599 1.00 0.23 H new ATOM 0 HA TYR A 111 1.943 -1.925 6.665 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.743 -1.967 3.671 1.00 0.32 H new ATOM 0 HB3 TYR A 111 2.996 -2.919 4.443 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.790 -3.989 6.834 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.011 -3.372 3.023 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.161 -5.758 7.321 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.637 -5.149 3.506 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.905 -6.600 6.680 1.00 0.40 H new ATOM 1710 N TYR A 112 4.258 -1.104 6.783 1.00 0.25 N ATOM 1711 CA TYR A 112 5.591 -0.550 6.938 1.00 0.25 C ATOM 1712 C TYR A 112 6.619 -1.421 6.245 1.00 0.27 C ATOM 1713 O TYR A 112 6.835 -2.571 6.625 1.00 0.33 O ATOM 1714 CB TYR A 112 5.946 -0.410 8.415 1.00 0.29 C ATOM 1715 CG TYR A 112 5.051 0.544 9.163 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.821 0.133 9.655 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.437 1.858 9.374 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.000 1.008 10.335 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.622 2.738 10.055 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.404 2.308 10.532 1.00 0.64 C ATOM 1721 OH TYR A 112 2.590 3.184 11.210 1.00 0.78 O ATOM 0 H TYR A 112 3.963 -1.718 7.542 1.00 0.25 H new ATOM 0 HA TYR A 112 5.599 0.437 6.477 1.00 0.25 H new ATOM 0 HB2 TYR A 112 5.893 -1.391 8.887 1.00 0.29 H new ATOM 0 HB3 TYR A 112 6.978 -0.070 8.501 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.501 -0.887 9.503 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.391 2.198 8.999 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.044 0.674 10.711 1.00 0.62 H new ATOM 0 HE2 TYR A 112 4.937 3.759 10.213 1.00 0.60 H new ATOM 0 HH TYR A 112 3.025 4.061 11.263 1.00 0.78 H new ATOM 1731 N VAL A 113 7.247 -0.877 5.225 1.00 0.27 N ATOM 1732 CA VAL A 113 8.287 -1.589 4.518 1.00 0.31 C ATOM 1733 C VAL A 113 9.657 -1.152 5.006 1.00 0.28 C ATOM 1734 O VAL A 113 9.960 0.041 5.059 1.00 0.31 O ATOM 1735 CB VAL A 113 8.204 -1.372 2.998 1.00 0.42 C ATOM 1736 CG1 VAL A 113 9.324 -2.128 2.303 1.00 0.96 C ATOM 1737 CG2 VAL A 113 6.846 -1.804 2.471 1.00 1.19 C ATOM 0 H VAL A 113 7.054 0.058 4.867 1.00 0.27 H new ATOM 0 HA VAL A 113 8.139 -2.649 4.723 1.00 0.31 H new ATOM 0 HB VAL A 113 8.322 -0.309 2.786 1.00 0.42 H new ATOM 0 HG11 VAL A 113 9.257 -1.969 1.227 1.00 0.96 H new ATOM 0 HG12 VAL A 113 10.286 -1.766 2.665 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.233 -3.193 2.518 1.00 0.96 H new ATOM 0 HG21 VAL A 113 6.806 -1.643 1.394 1.00 1.19 H new ATOM 0 HG22 VAL A 113 6.692 -2.861 2.686 1.00 1.19 H new ATOM 0 HG23 VAL A 113 6.065 -1.218 2.955 1.00 1.19 H new ATOM 1747 N ASN A 114 10.469 -2.123 5.380 1.00 0.29 N ATOM 1748 CA ASN A 114 11.843 -1.857 5.764 1.00 0.32 C ATOM 1749 C ASN A 114 12.748 -2.093 4.571 1.00 0.32 C ATOM 1750 O ASN A 114 12.901 -3.228 4.114 1.00 0.35 O ATOM 1751 CB ASN A 114 12.280 -2.743 6.941 1.00 0.42 C ATOM 1752 CG ASN A 114 11.684 -2.320 8.275 1.00 0.84 C ATOM 1753 OD1 ASN A 114 10.499 -1.728 8.245 1.00 1.63 O flip ATOM 1754 ND2 ASN A 114 12.291 -2.519 9.327 1.00 1.28 N flip ATOM 0 H ASN A 114 10.200 -3.106 5.426 1.00 0.29 H new ATOM 0 HA ASN A 114 11.917 -0.819 6.088 1.00 0.32 H new ATOM 0 HB2 ASN A 114 11.993 -3.774 6.735 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.367 -2.723 7.016 1.00 0.42 H new ATOM 0 HD21 ASN A 114 13.202 -2.978 9.311 1.00 1.28 H new ATOM 0 HD22 ASN A 114 11.883 -2.225 10.215 1.00 1.28 H new ATOM 1761 N ASN A 115 13.316 -1.019 4.046 1.00 0.34 N ATOM 1762 CA ASN A 115 14.181 -1.120 2.885 1.00 0.39 C ATOM 1763 C ASN A 115 15.631 -1.073 3.323 1.00 0.43 C ATOM 1764 O ASN A 115 16.138 -0.033 3.747 1.00 0.50 O ATOM 1765 CB ASN A 115 13.908 -0.001 1.875 1.00 0.48 C ATOM 1766 CG ASN A 115 12.434 0.169 1.562 1.00 0.50 C ATOM 1767 OD1 ASN A 115 11.905 -0.434 0.629 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.763 0.997 2.345 1.00 0.60 N ATOM 0 H ASN A 115 13.194 -0.072 4.405 1.00 0.34 H new ATOM 0 HA ASN A 115 13.972 -2.070 2.394 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.301 0.937 2.266 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.448 -0.213 0.952 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.768 1.156 2.186 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.240 1.477 3.108 1.00 0.60 H new ATOM 1775 N GLU A 116 16.279 -2.210 3.228 1.00 0.42 N ATOM 1776 CA GLU A 116 17.670 -2.346 3.607 1.00 0.50 C ATOM 1777 C GLU A 116 18.361 -3.278 2.628 1.00 0.45 C ATOM 1778 O GLU A 116 17.746 -4.212 2.124 1.00 0.54 O ATOM 1779 CB GLU A 116 17.785 -2.855 5.048 1.00 0.69 C ATOM 1780 CG GLU A 116 16.976 -4.112 5.325 1.00 1.26 C ATOM 1781 CD GLU A 116 16.832 -4.390 6.808 1.00 1.58 C ATOM 1782 OE1 GLU A 116 17.841 -4.746 7.455 1.00 1.97 O ATOM 1783 OE2 GLU A 116 15.712 -4.252 7.338 1.00 1.87 O ATOM 0 H GLU A 116 15.856 -3.072 2.884 1.00 0.42 H new ATOM 0 HA GLU A 116 18.161 -1.374 3.569 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.834 -3.054 5.270 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.459 -2.068 5.728 1.00 0.69 H new ATOM 0 HG2 GLU A 116 15.987 -4.010 4.879 1.00 1.26 H new ATOM 0 HG3 GLU A 116 17.456 -4.964 4.843 1.00 1.26 H new ATOM 1790 N TYR A 117 19.620 -2.994 2.335 1.00 0.46 N ATOM 1791 CA TYR A 117 20.355 -3.711 1.302 1.00 0.46 C ATOM 1792 C TYR A 117 20.390 -5.216 1.551 1.00 0.52 C ATOM 1793 O TYR A 117 20.254 -5.680 2.680 1.00 0.60 O ATOM 1794 CB TYR A 117 21.779 -3.178 1.207 1.00 0.48 C ATOM 1795 CG TYR A 117 21.852 -1.685 0.996 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.778 -1.137 -0.278 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.003 -0.823 2.072 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.851 0.226 -0.468 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.077 0.538 1.888 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.001 1.057 0.619 1.00 0.60 C ATOM 1801 OH TYR A 117 22.075 2.413 0.436 1.00 0.69 O ATOM 0 H TYR A 117 20.159 -2.265 2.802 1.00 0.46 H new ATOM 0 HA TYR A 117 19.829 -3.544 0.362 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.316 -3.434 2.120 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.291 -3.678 0.385 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.662 -1.788 -1.132 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.064 -1.227 3.072 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.791 0.640 -1.464 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.194 1.195 2.737 1.00 0.59 H new ATOM 0 HH TYR A 117 22.179 2.855 1.304 1.00 0.69 H new ATOM 1811 N THR A 118 20.590 -5.961 0.480 1.00 0.54 N ATOM 1812 CA THR A 118 20.614 -7.411 0.537 1.00 0.65 C ATOM 1813 C THR A 118 21.972 -7.900 1.014 1.00 0.74 C ATOM 1814 O THR A 118 22.090 -8.949 1.652 1.00 0.84 O ATOM 1815 CB THR A 118 20.320 -8.002 -0.851 1.00 0.67 C ATOM 1816 OG1 THR A 118 21.098 -7.310 -1.840 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.842 -7.893 -1.194 1.00 0.77 C ATOM 0 H THR A 118 20.740 -5.579 -0.454 1.00 0.54 H new ATOM 0 HA THR A 118 19.848 -7.738 1.240 1.00 0.65 H new ATOM 0 HB THR A 118 20.589 -9.058 -0.839 1.00 0.67 H new ATOM 0 HG1 THR A 118 20.912 -7.687 -2.725 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.665 -8.319 -2.181 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.256 -8.437 -0.454 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.545 -6.844 -1.193 1.00 0.77 H new ATOM 1825 N GLU A 119 22.998 -7.119 0.711 1.00 0.78 N ATOM 1826 CA GLU A 119 24.357 -7.479 1.072 1.00 0.92 C ATOM 1827 C GLU A 119 24.681 -6.974 2.464 1.00 0.95 C ATOM 1828 O GLU A 119 24.443 -5.805 2.772 1.00 0.90 O ATOM 1829 CB GLU A 119 25.358 -6.904 0.075 1.00 1.00 C ATOM 1830 CG GLU A 119 25.141 -7.378 -1.348 1.00 1.29 C ATOM 1831 CD GLU A 119 26.295 -7.017 -2.250 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.308 -5.891 -2.782 1.00 2.24 O ATOM 1833 OE2 GLU A 119 27.205 -7.854 -2.424 1.00 1.67 O ATOM 0 H GLU A 119 22.913 -6.231 0.216 1.00 0.78 H new ATOM 0 HA GLU A 119 24.432 -8.566 1.054 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.298 -5.816 0.099 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.366 -7.174 0.389 1.00 1.00 H new ATOM 0 HG2 GLU A 119 25.003 -8.459 -1.352 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.224 -6.938 -1.740 1.00 1.29 H new ATOM 1840 N THR A 120 25.235 -7.849 3.291 1.00 1.07 N ATOM 1841 CA THR A 120 25.577 -7.498 4.661 1.00 1.14 C ATOM 1842 C THR A 120 26.532 -6.307 4.688 1.00 1.12 C ATOM 1843 O THR A 120 26.436 -5.443 5.559 1.00 1.13 O ATOM 1844 CB THR A 120 26.217 -8.691 5.391 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.408 -9.864 5.201 1.00 1.36 O ATOM 1846 CG2 THR A 120 26.356 -8.403 6.879 1.00 1.41 C ATOM 0 H THR A 120 25.458 -8.811 3.035 1.00 1.07 H new ATOM 0 HA THR A 120 24.655 -7.227 5.175 1.00 1.14 H new ATOM 0 HB THR A 120 27.211 -8.858 4.976 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.818 -10.623 5.665 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.811 -9.261 7.375 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.986 -7.525 7.022 1.00 1.41 H new ATOM 0 HG23 THR A 120 25.371 -8.217 7.307 1.00 1.41 H new ATOM 1854 N GLU A 121 27.426 -6.258 3.704 1.00 1.13 N ATOM 1855 CA GLU A 121 28.360 -5.170 3.551 1.00 1.14 C ATOM 1856 C GLU A 121 27.645 -3.824 3.511 1.00 1.03 C ATOM 1857 O GLU A 121 28.041 -2.881 4.193 1.00 1.09 O ATOM 1858 CB GLU A 121 29.149 -5.391 2.268 1.00 1.18 C ATOM 1859 CG GLU A 121 30.404 -6.225 2.455 1.00 1.27 C ATOM 1860 CD GLU A 121 31.394 -5.567 3.390 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.139 -4.676 2.935 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.428 -5.932 4.581 1.00 2.05 O ATOM 0 H GLU A 121 27.515 -6.982 2.991 1.00 1.13 H new ATOM 0 HA GLU A 121 29.033 -5.151 4.409 1.00 1.14 H new ATOM 0 HB2 GLU A 121 28.505 -5.880 1.536 1.00 1.18 H new ATOM 0 HB3 GLU A 121 29.427 -4.422 1.852 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.132 -7.205 2.848 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.876 -6.390 1.486 1.00 1.27 H new ATOM 1869 N LEU A 122 26.566 -3.750 2.742 1.00 0.90 N ATOM 1870 CA LEU A 122 25.866 -2.494 2.552 1.00 0.82 C ATOM 1871 C LEU A 122 24.922 -2.217 3.720 1.00 0.82 C ATOM 1872 O LEU A 122 24.487 -1.087 3.923 1.00 0.83 O ATOM 1873 CB LEU A 122 25.095 -2.529 1.234 1.00 0.75 C ATOM 1874 CG LEU A 122 25.931 -2.874 0.000 1.00 0.82 C ATOM 1875 CD1 LEU A 122 25.043 -2.997 -1.228 1.00 0.88 C ATOM 1876 CD2 LEU A 122 27.015 -1.831 -0.225 1.00 0.87 C ATOM 0 H LEU A 122 26.161 -4.543 2.244 1.00 0.90 H new ATOM 0 HA LEU A 122 26.597 -1.686 2.514 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.289 -3.257 1.322 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.630 -1.556 1.078 1.00 0.75 H new ATOM 0 HG LEU A 122 26.415 -3.835 0.173 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.655 -3.243 -2.096 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.307 -3.785 -1.068 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.529 -2.051 -1.402 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.597 -2.096 -1.107 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.555 -0.854 -0.374 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.671 -1.794 0.645 1.00 0.87 H new ATOM 1888 N ARG A 123 24.612 -3.257 4.484 1.00 0.86 N ATOM 1889 CA ARG A 123 23.747 -3.120 5.650 1.00 0.94 C ATOM 1890 C ARG A 123 24.530 -2.556 6.829 1.00 1.11 C ATOM 1891 O ARG A 123 24.014 -1.751 7.603 1.00 1.19 O ATOM 1892 CB ARG A 123 23.143 -4.473 6.042 1.00 0.98 C ATOM 1893 CG ARG A 123 22.380 -5.150 4.918 1.00 0.89 C ATOM 1894 CD ARG A 123 21.822 -6.503 5.341 1.00 1.00 C ATOM 1895 NE ARG A 123 20.604 -6.379 6.142 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.841 -7.414 6.497 1.00 1.56 C ATOM 1897 NH1 ARG A 123 20.251 -8.656 6.266 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.689 -7.210 7.121 1.00 2.03 N ATOM 0 H ARG A 123 24.947 -4.206 4.317 1.00 0.86 H new ATOM 0 HA ARG A 123 22.941 -2.434 5.390 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.942 -5.134 6.376 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.473 -4.330 6.889 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.562 -4.505 4.595 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.039 -5.282 4.060 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.611 -7.099 4.453 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.577 -7.041 5.914 1.00 1.00 H new ATOM 0 HE ARG A 123 20.322 -5.447 6.447 1.00 1.20 H new ATOM 0 HH11 ARG A 123 21.151 -8.820 5.816 1.00 1.82 H new ATOM 0 HH12 ARG A 123 19.665 -9.445 6.539 1.00 1.82 H new ATOM 0 HH21 ARG A 123 18.384 -6.260 7.331 1.00 2.03 H new ATOM 0 HH22 ARG A 123 18.108 -8.004 7.391 1.00 2.03 H new ATOM 1912 N GLU A 124 25.781 -2.983 6.954 1.00 1.20 N ATOM 1913 CA GLU A 124 26.627 -2.552 8.056 1.00 1.39 C ATOM 1914 C GLU A 124 27.105 -1.128 7.838 1.00 1.37 C ATOM 1915 O GLU A 124 27.213 -0.350 8.783 1.00 1.49 O ATOM 1916 CB GLU A 124 27.835 -3.474 8.210 1.00 1.53 C ATOM 1917 CG GLU A 124 27.473 -4.916 8.512 1.00 1.66 C ATOM 1918 CD GLU A 124 28.687 -5.754 8.835 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.418 -6.136 7.898 1.00 2.84 O ATOM 1920 OE2 GLU A 124 28.919 -6.029 10.033 1.00 2.06 O ATOM 0 H GLU A 124 26.231 -3.628 6.304 1.00 1.20 H new ATOM 0 HA GLU A 124 26.030 -2.596 8.967 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.424 -3.442 7.293 1.00 1.53 H new ATOM 0 HB3 GLU A 124 28.470 -3.094 9.010 1.00 1.53 H new ATOM 0 HG2 GLU A 124 26.779 -4.946 9.352 1.00 1.66 H new ATOM 0 HG3 GLU A 124 26.955 -5.346 7.655 1.00 1.66 H new ATOM 1927 N ASN A 125 27.393 -0.791 6.591 1.00 1.27 N ATOM 1928 CA ASN A 125 27.856 0.542 6.261 1.00 1.30 C ATOM 1929 C ASN A 125 27.182 1.051 4.993 1.00 1.14 C ATOM 1930 O ASN A 125 27.688 0.868 3.886 1.00 1.10 O ATOM 1931 CB ASN A 125 29.390 0.577 6.132 1.00 1.45 C ATOM 1932 CG ASN A 125 29.966 -0.652 5.442 1.00 1.58 C ATOM 1933 OD1 ASN A 125 30.134 -0.682 4.222 1.00 2.19 O ATOM 1934 ND2 ASN A 125 30.294 -1.670 6.227 1.00 1.62 N ATOM 0 H ASN A 125 27.314 -1.423 5.794 1.00 1.27 H new ATOM 0 HA ASN A 125 27.578 1.209 7.077 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.680 1.467 5.574 1.00 1.45 H new ATOM 0 HB3 ASN A 125 29.829 0.666 7.126 1.00 1.45 H new ATOM 0 HD21 ASN A 125 30.700 -2.514 5.824 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.140 -1.608 7.233 1.00 1.62 H new ATOM 1941 N PRO A 126 25.987 1.651 5.149 1.00 1.13 N ATOM 1942 CA PRO A 126 25.268 2.291 4.046 1.00 1.06 C ATOM 1943 C PRO A 126 26.154 3.264 3.280 1.00 1.09 C ATOM 1944 O PRO A 126 26.709 4.201 3.857 1.00 1.19 O ATOM 1945 CB PRO A 126 24.132 3.042 4.743 1.00 1.15 C ATOM 1946 CG PRO A 126 23.902 2.292 6.009 1.00 1.23 C ATOM 1947 CD PRO A 126 25.235 1.726 6.414 1.00 1.24 C ATOM 0 HA PRO A 126 24.923 1.567 3.308 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.406 4.078 4.941 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.234 3.062 4.126 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.507 2.949 6.784 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.171 1.497 5.862 1.00 1.23 H new ATOM 0 HD2 PRO A 126 25.737 2.366 7.140 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.129 0.744 6.875 1.00 1.24 H new ATOM 1955 N PRO A 127 26.312 3.035 1.971 1.00 1.05 N ATOM 1956 CA PRO A 127 27.144 3.878 1.108 1.00 1.13 C ATOM 1957 C PRO A 127 26.585 5.295 0.990 1.00 1.19 C ATOM 1958 O PRO A 127 25.425 5.536 1.323 1.00 1.14 O ATOM 1959 CB PRO A 127 27.109 3.152 -0.247 1.00 1.11 C ATOM 1960 CG PRO A 127 26.641 1.772 0.073 1.00 1.01 C ATOM 1961 CD PRO A 127 25.699 1.933 1.222 1.00 0.97 C ATOM 0 HA PRO A 127 28.154 4.005 1.498 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.433 3.647 -0.944 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.094 3.138 -0.714 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.143 1.317 -0.783 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.477 1.124 0.337 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.690 2.178 0.890 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.627 1.025 1.820 1.00 0.97 H new ATOM 1969 N VAL A 128 27.420 6.221 0.516 1.00 1.34 N ATOM 1970 CA VAL A 128 27.049 7.635 0.426 1.00 1.44 C ATOM 1971 C VAL A 128 25.724 7.826 -0.315 1.00 1.22 C ATOM 1972 O VAL A 128 24.913 8.671 0.058 1.00 1.28 O ATOM 1973 CB VAL A 128 28.166 8.468 -0.255 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.453 7.967 -1.663 1.00 1.92 C ATOM 1975 CG2 VAL A 128 27.808 9.946 -0.273 1.00 2.16 C ATOM 0 H VAL A 128 28.363 6.016 0.187 1.00 1.34 H new ATOM 0 HA VAL A 128 26.922 7.995 1.447 1.00 1.44 H new ATOM 0 HB VAL A 128 29.074 8.343 0.335 1.00 1.71 H new ATOM 0 HG11 VAL A 128 29.241 8.573 -2.111 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.775 6.927 -1.620 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.549 8.042 -2.267 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.607 10.508 -0.756 1.00 2.16 H new ATOM 0 HG22 VAL A 128 26.879 10.089 -0.825 1.00 2.16 H new ATOM 0 HG23 VAL A 128 27.680 10.302 0.749 1.00 2.16 H new ATOM 1985 N LYS A 129 25.507 7.026 -1.351 1.00 1.07 N ATOM 1986 CA LYS A 129 24.258 7.062 -2.089 1.00 0.88 C ATOM 1987 C LYS A 129 23.628 5.680 -2.123 1.00 0.76 C ATOM 1988 O LYS A 129 24.284 4.699 -2.478 1.00 0.80 O ATOM 1989 CB LYS A 129 24.474 7.599 -3.508 1.00 1.00 C ATOM 1990 CG LYS A 129 24.693 9.100 -3.539 1.00 1.12 C ATOM 1991 CD LYS A 129 23.512 9.820 -2.912 1.00 1.29 C ATOM 1992 CE LYS A 129 23.852 11.243 -2.520 1.00 1.46 C ATOM 1993 NZ LYS A 129 22.799 11.830 -1.656 1.00 1.96 N ATOM 0 H LYS A 129 26.183 6.345 -1.697 1.00 1.07 H new ATOM 0 HA LYS A 129 23.576 7.741 -1.578 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.335 7.101 -3.953 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.609 7.349 -4.122 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.607 9.352 -3.002 1.00 1.12 H new ATOM 0 HG3 LYS A 129 24.826 9.433 -4.568 1.00 1.12 H new ATOM 0 HD2 LYS A 129 22.679 9.828 -3.615 1.00 1.29 H new ATOM 0 HD3 LYS A 129 23.181 9.271 -2.030 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.807 11.260 -1.995 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.970 11.851 -3.417 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 23.084 12.786 -1.363 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.905 11.882 -2.185 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 22.669 11.234 -0.814 1.00 1.96 H new ATOM 2007 N PRO A 130 22.352 5.589 -1.720 1.00 0.66 N ATOM 2008 CA PRO A 130 21.614 4.326 -1.687 1.00 0.57 C ATOM 2009 C PRO A 130 21.482 3.682 -3.059 1.00 0.52 C ATOM 2010 O PRO A 130 21.631 4.339 -4.091 1.00 0.64 O ATOM 2011 CB PRO A 130 20.237 4.716 -1.150 1.00 0.55 C ATOM 2012 CG PRO A 130 20.131 6.185 -1.381 1.00 0.64 C ATOM 2013 CD PRO A 130 21.528 6.715 -1.250 1.00 0.71 C ATOM 0 HA PRO A 130 22.129 3.585 -1.076 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.444 4.177 -1.669 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.145 4.476 -0.091 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.722 6.398 -2.369 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.466 6.649 -0.653 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.680 7.608 -1.857 1.00 0.71 H new ATOM 0 HD3 PRO A 130 21.763 6.985 -0.220 1.00 0.71 H new ATOM 2021 N ASP A 131 21.185 2.394 -3.065 1.00 0.45 N ATOM 2022 CA ASP A 131 21.082 1.645 -4.305 1.00 0.45 C ATOM 2023 C ASP A 131 19.797 0.835 -4.317 1.00 0.39 C ATOM 2024 O ASP A 131 19.593 -0.032 -3.470 1.00 0.39 O ATOM 2025 CB ASP A 131 22.283 0.717 -4.485 1.00 0.53 C ATOM 2026 CG ASP A 131 22.395 0.202 -5.903 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.565 -0.632 -6.309 1.00 1.28 O ATOM 2028 OD2 ASP A 131 23.314 0.647 -6.626 1.00 1.06 O ATOM 0 H ASP A 131 21.011 1.845 -2.224 1.00 0.45 H new ATOM 0 HA ASP A 131 21.070 2.355 -5.132 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.196 1.250 -4.220 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.196 -0.126 -3.799 1.00 0.53 H new ATOM 2033 N PHE A 132 18.941 1.123 -5.280 1.00 0.38 N ATOM 2034 CA PHE A 132 17.620 0.512 -5.353 1.00 0.35 C ATOM 2035 C PHE A 132 17.694 -0.904 -5.925 1.00 0.37 C ATOM 2036 O PHE A 132 16.758 -1.691 -5.788 1.00 0.38 O ATOM 2037 CB PHE A 132 16.695 1.388 -6.199 1.00 0.38 C ATOM 2038 CG PHE A 132 16.482 2.760 -5.620 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.426 3.761 -5.807 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.347 3.048 -4.879 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.238 5.019 -5.270 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.156 4.305 -4.339 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.103 5.291 -4.535 1.00 0.46 C ATOM 0 H PHE A 132 19.137 1.784 -6.032 1.00 0.38 H new ATOM 0 HA PHE A 132 17.217 0.436 -4.343 1.00 0.35 H new ATOM 0 HB2 PHE A 132 17.114 1.485 -7.201 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.730 0.891 -6.303 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.318 3.553 -6.379 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.603 2.281 -4.722 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.979 5.789 -5.425 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.267 4.517 -3.764 1.00 0.40 H new ATOM 0 HZ PHE A 132 15.955 6.274 -4.113 1.00 0.46 H new ATOM 2053 N SER A 133 18.813 -1.220 -6.552 1.00 0.42 N ATOM 2054 CA SER A 133 19.022 -2.530 -7.151 1.00 0.47 C ATOM 2055 C SER A 133 19.651 -3.491 -6.138 1.00 0.48 C ATOM 2056 O SER A 133 19.717 -4.698 -6.367 1.00 0.62 O ATOM 2057 CB SER A 133 19.913 -2.387 -8.392 1.00 0.54 C ATOM 2058 OG SER A 133 20.103 -3.629 -9.056 1.00 1.46 O ATOM 0 H SER A 133 19.600 -0.581 -6.661 1.00 0.42 H new ATOM 0 HA SER A 133 18.060 -2.945 -7.451 1.00 0.47 H new ATOM 0 HB2 SER A 133 19.463 -1.672 -9.081 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.881 -1.981 -8.099 1.00 0.54 H new ATOM 0 HG SER A 133 20.674 -3.496 -9.841 1.00 1.46 H new ATOM 2064 N LYS A 134 20.091 -2.948 -5.011 1.00 0.40 N ATOM 2065 CA LYS A 134 20.709 -3.749 -3.960 1.00 0.43 C ATOM 2066 C LYS A 134 19.871 -3.678 -2.707 1.00 0.39 C ATOM 2067 O LYS A 134 20.241 -4.195 -1.657 1.00 0.46 O ATOM 2068 CB LYS A 134 22.118 -3.246 -3.649 1.00 0.48 C ATOM 2069 CG LYS A 134 23.157 -3.662 -4.673 1.00 0.65 C ATOM 2070 CD LYS A 134 23.299 -5.174 -4.745 1.00 0.78 C ATOM 2071 CE LYS A 134 24.429 -5.581 -5.673 1.00 1.00 C ATOM 2072 NZ LYS A 134 25.739 -5.071 -5.194 1.00 1.87 N ATOM 0 H LYS A 134 20.032 -1.952 -4.800 1.00 0.40 H new ATOM 0 HA LYS A 134 20.772 -4.780 -4.309 1.00 0.43 H new ATOM 0 HB2 LYS A 134 22.099 -2.158 -3.586 1.00 0.48 H new ATOM 0 HB3 LYS A 134 22.418 -3.617 -2.669 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.878 -3.275 -5.653 1.00 0.65 H new ATOM 0 HG3 LYS A 134 24.119 -3.218 -4.417 1.00 0.65 H new ATOM 0 HD2 LYS A 134 23.485 -5.571 -3.747 1.00 0.78 H new ATOM 0 HD3 LYS A 134 22.364 -5.612 -5.094 1.00 0.78 H new ATOM 0 HE2 LYS A 134 24.466 -6.668 -5.748 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.233 -5.199 -6.675 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 26.502 -5.676 -5.560 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 25.877 -4.097 -5.532 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.757 -5.083 -4.154 1.00 1.87 H new ATOM 2086 N LEU A 135 18.737 -3.030 -2.838 1.00 0.41 N ATOM 2087 CA LEU A 135 17.891 -2.751 -1.709 1.00 0.40 C ATOM 2088 C LEU A 135 16.808 -3.808 -1.588 1.00 0.41 C ATOM 2089 O LEU A 135 16.101 -4.093 -2.551 1.00 0.46 O ATOM 2090 CB LEU A 135 17.273 -1.370 -1.884 1.00 0.41 C ATOM 2091 CG LEU A 135 16.663 -0.778 -0.633 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.744 -0.546 0.415 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.936 0.511 -0.969 1.00 0.74 C ATOM 0 H LEU A 135 18.379 -2.684 -3.728 1.00 0.41 H new ATOM 0 HA LEU A 135 18.483 -2.769 -0.794 1.00 0.40 H new ATOM 0 HB2 LEU A 135 18.040 -0.689 -2.253 1.00 0.41 H new ATOM 0 HB3 LEU A 135 16.503 -1.428 -2.653 1.00 0.41 H new ATOM 0 HG LEU A 135 15.936 -1.478 -0.220 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.295 -0.120 1.312 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.220 -1.495 0.663 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.491 0.143 0.021 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.500 0.930 -0.062 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.640 1.225 -1.396 1.00 0.74 H new ATOM 0 HD23 LEU A 135 15.145 0.305 -1.690 1.00 0.74 H new ATOM 2105 N GLN A 136 16.692 -4.395 -0.413 1.00 0.40 N ATOM 2106 CA GLN A 136 15.669 -5.392 -0.161 1.00 0.41 C ATOM 2107 C GLN A 136 14.509 -4.755 0.585 1.00 0.38 C ATOM 2108 O GLN A 136 14.704 -4.093 1.604 1.00 0.44 O ATOM 2109 CB GLN A 136 16.222 -6.548 0.670 1.00 0.46 C ATOM 2110 CG GLN A 136 15.251 -7.707 0.789 1.00 0.58 C ATOM 2111 CD GLN A 136 15.463 -8.527 2.044 1.00 0.79 C ATOM 2112 OE1 GLN A 136 16.205 -9.510 2.048 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.812 -8.119 3.121 1.00 0.72 N ATOM 0 H GLN A 136 17.296 -4.198 0.385 1.00 0.40 H new ATOM 0 HA GLN A 136 15.330 -5.782 -1.121 1.00 0.41 H new ATOM 0 HB2 GLN A 136 17.149 -6.902 0.219 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.471 -6.185 1.667 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.231 -7.322 0.780 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.355 -8.353 -0.083 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.208 -7.299 3.071 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.914 -8.625 4.001 1.00 0.72 H new ATOM 2122 N ARG A 137 13.308 -4.950 0.077 1.00 0.36 N ATOM 2123 CA ARG A 137 12.127 -4.447 0.744 1.00 0.35 C ATOM 2124 C ARG A 137 11.440 -5.550 1.531 1.00 0.35 C ATOM 2125 O ARG A 137 10.844 -6.469 0.960 1.00 0.39 O ATOM 2126 CB ARG A 137 11.155 -3.785 -0.242 1.00 0.43 C ATOM 2127 CG ARG A 137 10.865 -4.558 -1.511 1.00 1.02 C ATOM 2128 CD ARG A 137 9.976 -3.737 -2.439 1.00 1.29 C ATOM 2129 NE ARG A 137 8.927 -3.042 -1.700 1.00 1.00 N ATOM 2130 CZ ARG A 137 9.028 -1.756 -1.326 1.00 1.85 C ATOM 2131 NH1 ARG A 137 10.050 -1.020 -1.751 1.00 2.82 N ATOM 2132 NH2 ARG A 137 8.113 -1.202 -0.544 1.00 2.05 N ATOM 0 H ARG A 137 13.126 -5.451 -0.792 1.00 0.36 H new ATOM 0 HA ARG A 137 12.449 -3.677 1.445 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.212 -3.606 0.274 1.00 0.43 H new ATOM 0 HB3 ARG A 137 11.557 -2.810 -0.518 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.799 -4.805 -2.016 1.00 1.02 H new ATOM 0 HG3 ARG A 137 10.375 -5.501 -1.267 1.00 1.02 H new ATOM 0 HD2 ARG A 137 10.584 -3.011 -2.979 1.00 1.29 H new ATOM 0 HD3 ARG A 137 9.524 -4.391 -3.185 1.00 1.29 H new ATOM 0 HE ARG A 137 8.080 -3.555 -1.457 1.00 1.00 H new ATOM 0 HH11 ARG A 137 10.757 -1.432 -2.361 1.00 2.82 H new ATOM 0 HH12 ARG A 137 10.128 -0.043 -1.468 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.319 -1.753 -0.218 1.00 2.05 H new ATOM 0 HH22 ARG A 137 8.203 -0.224 -0.268 1.00 2.05 H new ATOM 2146 N ASN A 138 11.568 -5.465 2.849 1.00 0.35 N ATOM 2147 CA ASN A 138 10.903 -6.386 3.757 1.00 0.39 C ATOM 2148 C ASN A 138 9.649 -5.733 4.310 1.00 0.39 C ATOM 2149 O ASN A 138 9.722 -4.786 5.095 1.00 0.49 O ATOM 2150 CB ASN A 138 11.842 -6.792 4.901 1.00 0.45 C ATOM 2151 CG ASN A 138 11.186 -7.741 5.890 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.190 -8.953 5.698 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.635 -7.199 6.964 1.00 0.67 N ATOM 0 H ASN A 138 12.135 -4.757 3.316 1.00 0.35 H new ATOM 0 HA ASN A 138 10.629 -7.288 3.209 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.731 -7.265 4.485 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.174 -5.897 5.428 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.194 -7.793 7.666 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.651 -6.187 7.090 1.00 0.67 H new ATOM 2160 N ILE A 139 8.505 -6.234 3.888 1.00 0.37 N ATOM 2161 CA ILE A 139 7.236 -5.622 4.223 1.00 0.36 C ATOM 2162 C ILE A 139 6.696 -6.198 5.524 1.00 0.37 C ATOM 2163 O ILE A 139 6.420 -7.394 5.617 1.00 0.46 O ATOM 2164 CB ILE A 139 6.214 -5.829 3.088 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.836 -5.409 1.744 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.931 -5.055 3.369 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.878 -5.468 0.574 1.00 0.48 C ATOM 0 H ILE A 139 8.429 -7.070 3.308 1.00 0.37 H new ATOM 0 HA ILE A 139 7.398 -4.552 4.352 1.00 0.36 H new ATOM 0 HB ILE A 139 5.953 -6.886 3.033 1.00 0.39 H new ATOM 0 HG12 ILE A 139 7.219 -4.393 1.835 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.689 -6.054 1.534 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.224 -5.215 2.555 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.493 -5.404 4.304 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.158 -3.992 3.449 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.394 -5.157 -0.335 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.513 -6.488 0.453 1.00 0.48 H new ATOM 0 HD13 ILE A 139 5.036 -4.801 0.759 1.00 0.48 H new ATOM 2179 N LEU A 140 6.562 -5.347 6.529 1.00 0.35 N ATOM 2180 CA LEU A 140 6.080 -5.777 7.829 1.00 0.39 C ATOM 2181 C LEU A 140 4.575 -5.986 7.801 1.00 0.36 C ATOM 2182 O LEU A 140 3.805 -5.108 8.192 1.00 0.37 O ATOM 2183 CB LEU A 140 6.447 -4.764 8.919 1.00 0.47 C ATOM 2184 CG LEU A 140 7.943 -4.509 9.097 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.176 -3.472 10.182 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.672 -5.801 9.431 1.00 0.99 C ATOM 0 H LEU A 140 6.781 -4.353 6.468 1.00 0.35 H new ATOM 0 HA LEU A 140 6.564 -6.725 8.064 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.958 -3.817 8.691 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.039 -5.113 9.868 1.00 0.47 H new ATOM 0 HG LEU A 140 8.341 -4.125 8.158 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.246 -3.301 10.298 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.687 -2.538 9.904 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.762 -3.832 11.124 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.736 -5.597 9.554 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.273 -6.215 10.357 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.531 -6.518 8.622 1.00 0.99 H new ATOM 2198 N ALA A 141 4.159 -7.146 7.319 1.00 0.39 N ATOM 2199 CA ALA A 141 2.753 -7.508 7.323 1.00 0.42 C ATOM 2200 C ALA A 141 2.310 -7.853 8.742 1.00 0.49 C ATOM 2201 O ALA A 141 1.121 -8.013 9.027 1.00 0.55 O ATOM 2202 CB ALA A 141 2.508 -8.674 6.383 1.00 0.48 C ATOM 0 H ALA A 141 4.777 -7.853 6.920 1.00 0.39 H new ATOM 0 HA ALA A 141 2.165 -6.660 6.973 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.450 -8.935 6.396 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.801 -8.393 5.371 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.097 -9.532 6.706 1.00 0.48 H new ATOM 2208 N SER A 142 3.297 -7.973 9.623 1.00 0.52 N ATOM 2209 CA SER A 142 3.064 -8.241 11.031 1.00 0.62 C ATOM 2210 C SER A 142 2.474 -7.016 11.726 1.00 0.61 C ATOM 2211 O SER A 142 1.843 -7.130 12.775 1.00 0.70 O ATOM 2212 CB SER A 142 4.386 -8.624 11.693 1.00 0.72 C ATOM 2213 OG SER A 142 5.161 -9.437 10.826 1.00 1.42 O ATOM 0 H SER A 142 4.283 -7.886 9.377 1.00 0.52 H new ATOM 0 HA SER A 142 2.351 -9.061 11.121 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.944 -7.724 11.952 1.00 0.72 H new ATOM 0 HB3 SER A 142 4.192 -9.157 12.624 1.00 0.72 H new ATOM 0 HG SER A 142 6.005 -9.672 11.265 1.00 1.42 H new ATOM 2219 N ASN A 143 2.672 -5.844 11.129 1.00 0.56 N ATOM 2220 CA ASN A 143 2.176 -4.604 11.709 1.00 0.60 C ATOM 2221 C ASN A 143 1.376 -3.812 10.680 1.00 0.49 C ATOM 2222 O ASN A 143 1.910 -2.935 10.001 1.00 0.49 O ATOM 2223 CB ASN A 143 3.336 -3.757 12.246 1.00 0.74 C ATOM 2224 CG ASN A 143 2.875 -2.479 12.932 1.00 1.25 C ATOM 2225 OD1 ASN A 143 1.788 -2.423 13.512 1.00 1.87 O ATOM 2226 ND2 ASN A 143 3.704 -1.445 12.874 1.00 1.91 N ATOM 0 H ASN A 143 3.171 -5.729 10.247 1.00 0.56 H new ATOM 0 HA ASN A 143 1.518 -4.857 12.540 1.00 0.60 H new ATOM 0 HB2 ASN A 143 3.916 -4.352 12.951 1.00 0.74 H new ATOM 0 HB3 ASN A 143 4.002 -3.500 11.422 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.451 -0.563 13.319 1.00 1.91 H new ATOM 0 HD22 ASN A 143 4.594 -1.532 12.384 1.00 1.91 H new ATOM 2233 N PRO A 144 0.089 -4.149 10.517 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.812 -3.442 9.622 1.00 0.43 C ATOM 2235 C PRO A 144 -1.446 -2.236 10.299 1.00 0.39 C ATOM 2236 O PRO A 144 -2.282 -2.383 11.192 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.891 -4.487 9.290 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.570 -5.701 10.114 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.602 -5.257 11.174 1.00 0.60 C ATOM 0 HA PRO A 144 -0.294 -3.055 8.744 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.885 -4.108 9.527 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.886 -4.726 8.227 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.473 -6.114 10.563 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.134 -6.485 9.495 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -1.112 -4.937 12.083 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.085 -6.054 11.458 1.00 0.60 H new ATOM 2247 N ARG A 145 -1.038 -1.044 9.892 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.636 0.172 10.419 1.00 0.33 C ATOM 2249 C ARG A 145 -3.002 0.379 9.781 1.00 0.30 C ATOM 2250 O ARG A 145 -3.136 1.096 8.788 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.744 1.390 10.154 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.226 2.662 10.837 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.015 2.603 12.343 1.00 1.21 C ATOM 2254 NE ARG A 145 0.406 2.578 12.689 1.00 1.63 N ATOM 2255 CZ ARG A 145 0.880 2.385 13.918 1.00 2.42 C ATOM 2256 NH1 ARG A 145 0.052 2.206 14.941 1.00 3.00 N ATOM 2257 NH2 ARG A 145 2.194 2.387 14.117 1.00 3.15 N ATOM 0 H ARG A 145 -0.301 -0.893 9.204 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.744 0.065 11.498 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.268 1.168 10.492 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.691 1.563 9.079 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.693 3.520 10.428 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.284 2.812 10.623 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.488 3.466 12.811 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.503 1.715 12.744 1.00 1.21 H new ATOM 0 HE ARG A 145 1.080 2.718 11.937 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -0.957 2.216 14.789 1.00 3.00 H new ATOM 0 HH12 ARG A 145 0.425 2.059 15.879 1.00 3.00 H new ATOM 0 HH21 ARG A 145 2.828 2.535 13.332 1.00 3.15 H new ATOM 0 HH22 ARG A 145 2.568 2.240 15.055 1.00 3.15 H new ATOM 2271 N VAL A 146 -4.000 -0.296 10.321 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.352 -0.179 9.811 1.00 0.39 C ATOM 2273 C VAL A 146 -6.032 1.067 10.356 1.00 0.40 C ATOM 2274 O VAL A 146 -6.424 1.129 11.520 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.202 -1.428 10.120 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -5.829 -2.567 9.185 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -6.024 -1.856 11.564 1.00 1.11 C ATOM 0 H VAL A 146 -3.899 -0.931 11.113 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.274 -0.094 8.727 1.00 0.39 H new ATOM 0 HB VAL A 146 -7.250 -1.174 9.963 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -6.438 -3.441 9.416 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -6.006 -2.264 8.153 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -4.775 -2.814 9.315 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -6.633 -2.739 11.760 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -4.975 -2.090 11.747 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -6.336 -1.047 12.224 1.00 1.11 H new ATOM 2287 N THR A 147 -6.138 2.075 9.515 1.00 0.40 N ATOM 2288 CA THR A 147 -6.826 3.295 9.876 1.00 0.42 C ATOM 2289 C THR A 147 -8.094 3.420 9.062 1.00 0.35 C ATOM 2290 O THR A 147 -8.044 3.533 7.844 1.00 0.33 O ATOM 2291 CB THR A 147 -5.946 4.531 9.626 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.650 4.330 10.204 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.580 5.778 10.222 1.00 0.52 C ATOM 0 H THR A 147 -5.753 2.072 8.570 1.00 0.40 H new ATOM 0 HA THR A 147 -7.060 3.247 10.939 1.00 0.42 H new ATOM 0 HB THR A 147 -5.850 4.670 8.549 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.554 4.897 10.998 1.00 0.56 H new ATOM 0 HG21 THR A 147 -5.939 6.639 10.032 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.555 5.944 9.765 1.00 0.52 H new ATOM 0 HG23 THR A 147 -6.701 5.646 11.297 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.229 3.383 9.726 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.489 3.483 9.026 1.00 0.34 C ATOM 2303 C ARG A 148 -11.213 4.765 9.410 1.00 0.37 C ATOM 2304 O ARG A 148 -11.258 5.154 10.579 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.359 2.250 9.275 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.505 1.880 10.742 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.361 0.638 10.924 1.00 0.88 C ATOM 2308 NE ARG A 148 -13.713 0.816 10.400 1.00 1.48 N ATOM 2309 CZ ARG A 148 -14.581 -0.181 10.235 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -14.238 -1.424 10.542 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -15.793 0.061 9.757 1.00 3.00 N ATOM 0 H ARG A 148 -9.305 3.285 10.738 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.284 3.522 7.956 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.349 2.427 8.856 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -10.932 1.403 8.738 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.519 1.709 11.174 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -11.952 2.713 11.285 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -11.887 -0.205 10.421 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.414 0.388 11.984 1.00 0.88 H new ATOM 0 HE ARG A 148 -14.010 1.758 10.146 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.306 -1.621 10.906 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.906 -2.184 10.414 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -16.064 1.014 9.514 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -16.454 -0.705 9.632 1.00 3.00 H new ATOM 2325 N PHE A 149 -11.764 5.411 8.406 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.341 6.735 8.544 1.00 0.36 C ATOM 2327 C PHE A 149 -13.862 6.672 8.429 1.00 0.38 C ATOM 2328 O PHE A 149 -14.413 5.706 7.896 1.00 0.46 O ATOM 2329 CB PHE A 149 -11.778 7.642 7.444 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.282 7.567 7.311 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.456 8.331 8.118 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -9.705 6.720 6.381 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.081 8.249 7.994 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.335 6.634 6.253 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.522 7.398 7.059 1.00 0.40 C ATOM 0 H PHE A 149 -11.826 5.031 7.462 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.085 7.135 9.525 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.233 7.370 6.492 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.065 8.673 7.652 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -9.889 8.996 8.850 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.337 6.117 5.746 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.445 8.849 8.627 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -7.901 5.968 5.522 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.448 7.333 6.961 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.537 7.691 8.939 1.00 0.47 N ATOM 2346 CA HIS A 150 -15.980 7.801 8.778 1.00 0.51 C ATOM 2347 C HIS A 150 -16.289 8.728 7.609 1.00 0.52 C ATOM 2348 O HIS A 150 -16.064 9.935 7.689 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.632 8.333 10.063 1.00 0.64 C ATOM 2350 CG HIS A 150 -18.136 8.328 10.047 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -19.022 8.829 9.151 1.00 2.39 N flip ATOM 2352 CD2 HIS A 150 -18.893 7.771 11.053 1.00 1.74 C flip ATOM 2353 CE1 HIS A 150 -20.281 8.568 9.629 1.00 3.14 C flip ATOM 2354 NE2 HIS A 150 -20.175 7.929 10.778 1.00 2.73 N flip ATOM 0 H HIS A 150 -14.110 8.452 9.467 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.389 6.811 8.576 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.288 7.733 10.905 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.286 9.352 10.236 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -18.499 7.281 11.931 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.207 8.841 9.144 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -20.952 7.611 11.357 1.00 2.73 H new ATOM 2363 N ILE A 151 -16.804 8.165 6.528 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.170 8.953 5.363 1.00 0.50 C ATOM 2365 C ILE A 151 -18.632 8.734 5.031 1.00 0.49 C ATOM 2366 O ILE A 151 -19.335 8.016 5.738 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.331 8.591 4.116 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.668 7.178 3.631 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -14.847 8.710 4.420 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.183 6.889 2.227 1.00 0.64 C ATOM 0 H ILE A 151 -16.978 7.164 6.433 1.00 0.48 H new ATOM 0 HA ILE A 151 -16.977 9.995 5.617 1.00 0.50 H new ATOM 0 HB ILE A 151 -16.578 9.294 3.321 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.227 6.453 4.315 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -17.748 7.037 3.670 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.272 8.452 3.531 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -14.617 9.734 4.716 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -14.586 8.030 5.231 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.457 5.871 1.950 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.643 7.591 1.531 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.099 6.997 2.187 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.083 9.350 3.957 1.00 0.50 N ATOM 2383 CA ASN A 152 -20.419 9.111 3.458 1.00 0.51 C ATOM 2384 C ASN A 152 -20.338 8.377 2.127 1.00 0.49 C ATOM 2385 O ASN A 152 -19.742 8.861 1.166 1.00 0.52 O ATOM 2386 CB ASN A 152 -21.204 10.426 3.338 1.00 0.62 C ATOM 2387 CG ASN A 152 -20.606 11.411 2.348 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -19.688 12.162 2.681 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.141 11.442 1.136 1.00 1.33 N ATOM 0 H ASN A 152 -18.541 10.021 3.413 1.00 0.50 H new ATOM 0 HA ASN A 152 -20.962 8.484 4.165 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -22.228 10.201 3.038 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -21.256 10.898 4.319 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -20.794 12.104 0.442 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -21.900 10.804 0.897 1.00 1.33 H new ATOM 2396 N TRP A 153 -20.896 7.179 2.101 1.00 0.54 N ATOM 2397 CA TRP A 153 -20.897 6.355 0.906 1.00 0.59 C ATOM 2398 C TRP A 153 -22.054 6.763 0.008 1.00 0.72 C ATOM 2399 O TRP A 153 -22.092 6.445 -1.180 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.068 4.879 1.279 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.075 4.356 2.276 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.881 4.787 3.557 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.170 3.268 2.080 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.898 4.052 4.159 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.447 3.107 3.275 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.899 2.415 1.008 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.472 2.127 3.427 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.930 1.444 1.159 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.229 1.306 2.361 1.00 0.53 C ATOM 0 H TRP A 153 -21.359 6.752 2.904 1.00 0.54 H new ATOM 0 HA TRP A 153 -19.948 6.494 0.388 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.072 4.735 1.679 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -20.998 4.280 0.371 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.426 5.593 4.027 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.556 4.185 5.111 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.438 2.513 0.077 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.927 2.018 4.353 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.710 0.780 0.336 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.479 0.534 2.449 1.00 0.53 H new ATOM 2420 N GLU A 154 -22.985 7.488 0.595 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.244 7.790 -0.035 1.00 0.99 C ATOM 2422 C GLU A 154 -24.353 9.281 -0.245 1.00 0.96 C ATOM 2423 O GLU A 154 -23.559 10.052 0.306 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.369 7.278 0.856 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.170 5.822 1.235 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.826 5.443 2.543 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.670 6.193 3.529 1.00 2.32 O ATOM 2428 OE2 GLU A 154 -26.471 4.375 2.596 1.00 2.07 O ATOM 0 H GLU A 154 -22.883 7.885 1.529 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.314 7.303 -1.008 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.421 7.885 1.760 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.322 7.392 0.340 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -25.569 5.191 0.441 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -24.102 5.615 1.300 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.332 9.692 -1.020 1.00 0.99 N ATOM 2436 CA ASP A 155 -25.450 11.082 -1.401 1.00 1.07 C ATOM 2437 C ASP A 155 -26.225 11.867 -0.354 1.00 1.02 C ATOM 2438 O ASP A 155 -27.385 12.228 -0.549 1.00 1.15 O ATOM 2439 CB ASP A 155 -26.113 11.174 -2.766 1.00 1.41 C ATOM 2440 CG ASP A 155 -26.018 12.558 -3.375 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -24.893 12.980 -3.716 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -27.067 13.217 -3.538 1.00 1.86 O ATOM 0 H ASP A 155 -26.058 9.084 -1.399 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.456 11.524 -1.463 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.649 10.454 -3.439 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -27.162 10.894 -2.674 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.578 12.075 0.782 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.137 12.878 1.858 1.00 1.31 C ATOM 2449 C ASN A 156 -25.087 13.860 2.358 1.00 1.59 C ATOM 2450 O ASN A 156 -24.567 13.667 3.477 1.00 2.09 O ATOM 2451 CB ASN A 156 -26.616 11.987 3.011 1.00 1.55 C ATOM 2452 CG ASN A 156 -27.856 11.179 2.668 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -28.716 11.627 1.907 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -27.961 9.982 3.225 1.00 2.27 N ATOM 2455 OXT ASN A 156 -24.759 14.804 1.610 1.00 2.05 O ATOM 0 H ASN A 156 -24.654 11.693 0.984 1.00 1.06 H new ATOM 0 HA ASN A 156 -26.996 13.428 1.474 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -25.813 11.306 3.293 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -26.825 12.610 3.880 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -28.774 9.398 3.029 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -27.229 9.644 3.850 1.00 2.27 H new