USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 961 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: B 206 ASN : amide:sc= -0.451 X(o=0.36,f=0.52) USER MOD Set 1.2: B 207 SER OG : rot 18:sc= 0.808 USER MOD Set 2.1: A 55 THR OG1 : rot -76:sc= 1.44 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 170:sc= 2.36 (180deg=1.1) USER MOD Set 3.1: A 45 GLN : amide:sc= 0.868 K(o=2,f=-0.078) USER MOD Set 3.2: A 49 GLN : amide:sc= 1.12! C(o=2!,f=-2.5!) USER MOD Set 4.1: A 39 ASN : amide:sc= -0.0656 K(o=-0.066,f=-4!) USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= -0.353 USER MOD Set 5.2: A 84 GLN : amide:sc= -1.48! C(o=-0.68!,f=-13!) USER MOD Set 5.3: A 87 CYS SG : rot 53:sc= 1.15 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -119:sc= 1.26 (180deg=-0.0496) USER MOD Set 6.2: A 9 GLN : amide:sc= 1.3 K(o=2.8,f=-12!) USER MOD Set 6.3: A 85 ASN : amide:sc= 0.232 K(o=2.8,f=-5.1!) USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.107) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.0299 (180deg=0) USER MOD Single : A 7 MET CE :methyl 179:sc= 0 (180deg=-0.0017) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.88! USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -150:sc= -0.46 USER MOD Single : A 19 SER OG : rot 125:sc= 1.25 USER MOD Single : A 23 THR OG1 : rot 59:sc= 1.14 USER MOD Single : A 24 HIS : +bothHN:sc= 1.37 K(o=1.4,f=-6.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.083 K(o=-0.083,f=-1.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.195 USER MOD Single : A 34 THR OG1 : rot 82:sc= 0.311 USER MOD Single : A 36 GLN : amide:sc= -0.0163 K(o=-0.016,f=-2.7!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.762 F(o=-2.2!,f=-0.76) USER MOD Single : A 62 GLN :FLIP amide:sc= -1.65 F(o=-2.4,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0421 (180deg=-0.286) USER MOD Single : A 67 LYS NZ :NH3+ 177:sc= 2.2 (180deg=2.13) USER MOD Single : A 69 LYS NZ :NH3+ 151:sc= 1.6 (180deg=0.0181!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00834 USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 1.18 (180deg=-0.305!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -148:sc= -4.02! USER MOD Single : A 79 SER OG : rot -74:sc= 1.29 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.415 F(o=-1.3,f=-0.42) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.8!) USER MOD Single : B 192 TYR OH : rot 180:sc= 0.468 USER MOD Single : B 196 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 199 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0852) USER MOD Single : B 201 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0685) USER MOD Single : B 204 MET CE :methyl 164:sc= -0.0645 (180deg=-0.42) USER MOD Single : B 205 THR OG1 : rot 96:sc= 0.975 USER MOD Single : B 208 HIS : no HE2:sc= 0.145 K(o=0.14,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.868 -13.868 -10.663 1.00 1.79 N ATOM 2 CA MET A 1 -4.444 -12.505 -10.636 1.00 1.50 C ATOM 3 C MET A 1 -5.940 -12.585 -10.357 1.00 1.45 C ATOM 4 O MET A 1 -6.381 -13.454 -9.609 1.00 2.06 O ATOM 5 CB MET A 1 -4.184 -11.790 -11.966 1.00 1.78 C ATOM 6 CG MET A 1 -3.799 -10.326 -11.798 1.00 2.07 C ATOM 7 SD MET A 1 -3.467 -9.495 -13.364 1.00 2.89 S ATOM 8 CE MET A 1 -5.122 -9.351 -14.029 1.00 2.97 C ATOM 0 H1 MET A 1 -2.878 -13.833 -10.347 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.412 -14.487 -10.029 1.00 1.79 H new ATOM 0 H3 MET A 1 -3.909 -14.243 -11.632 1.00 1.79 H new ATOM 0 HA MET A 1 -3.966 -11.932 -9.841 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.388 -12.309 -12.500 1.00 1.78 H new ATOM 0 HB3 MET A 1 -5.078 -11.854 -12.586 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.602 -9.803 -11.280 1.00 2.07 H new ATOM 0 HG3 MET A 1 -2.915 -10.260 -11.164 1.00 2.07 H new ATOM 0 HE1 MET A 1 -5.110 -8.690 -14.896 1.00 2.97 H new ATOM 0 HE2 MET A 1 -5.481 -10.336 -14.329 1.00 2.97 H new ATOM 0 HE3 MET A 1 -5.785 -8.939 -13.268 1.00 2.97 H new ATOM 20 N ALA A 2 -6.712 -11.678 -10.964 1.00 1.41 N ATOM 21 CA ALA A 2 -8.164 -11.636 -10.794 1.00 1.47 C ATOM 22 C ALA A 2 -8.547 -11.394 -9.337 1.00 1.31 C ATOM 23 O ALA A 2 -9.475 -12.014 -8.814 1.00 1.40 O ATOM 24 CB ALA A 2 -8.813 -12.914 -11.324 1.00 1.83 C ATOM 0 H ALA A 2 -6.347 -10.955 -11.585 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.541 -10.797 -11.378 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.893 -12.858 -11.186 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.588 -13.023 -12.385 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.422 -13.773 -10.780 1.00 1.83 H new ATOM 30 N LYS A 3 -7.830 -10.480 -8.687 1.00 1.21 N ATOM 31 CA LYS A 3 -8.104 -10.146 -7.295 1.00 1.10 C ATOM 32 C LYS A 3 -9.372 -9.310 -7.202 1.00 1.05 C ATOM 33 O LYS A 3 -9.326 -8.080 -7.160 1.00 1.21 O ATOM 34 CB LYS A 3 -6.932 -9.385 -6.669 1.00 1.11 C ATOM 35 CG LYS A 3 -7.093 -9.156 -5.173 1.00 1.22 C ATOM 36 CD LYS A 3 -5.972 -8.300 -4.606 1.00 1.18 C ATOM 37 CE LYS A 3 -6.060 -8.205 -3.090 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.656 -9.473 -2.430 1.00 1.47 N ATOM 0 H LYS A 3 -7.057 -9.960 -9.102 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.241 -11.076 -6.743 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.011 -9.940 -6.848 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.826 -8.422 -7.168 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.051 -8.673 -4.981 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -7.112 -10.117 -4.659 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.009 -8.724 -4.890 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -6.021 -7.301 -5.038 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.421 -7.394 -2.740 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.081 -7.955 -2.801 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.455 -9.848 -1.880 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -5.377 -10.167 -3.153 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -4.853 -9.293 -1.794 1.00 1.47 H new ATOM 52 N THR A 4 -10.504 -9.988 -7.229 1.00 1.06 N ATOM 53 CA THR A 4 -11.798 -9.338 -7.146 1.00 1.06 C ATOM 54 C THR A 4 -12.839 -10.323 -6.632 1.00 1.13 C ATOM 55 O THR A 4 -13.647 -10.003 -5.761 1.00 1.27 O ATOM 56 CB THR A 4 -12.245 -8.792 -8.520 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.169 -8.066 -9.141 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.451 -7.881 -8.369 1.00 1.23 C ATOM 0 H THR A 4 -10.552 -11.004 -7.309 1.00 1.06 H new ATOM 0 HA THR A 4 -11.706 -8.499 -6.457 1.00 1.06 H new ATOM 0 HB THR A 4 -12.519 -9.639 -9.149 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.463 -7.726 -10.012 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.750 -7.507 -9.348 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.276 -8.440 -7.927 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.194 -7.041 -7.723 1.00 1.23 H new ATOM 66 N GLU A 5 -12.786 -11.539 -7.154 1.00 1.20 N ATOM 67 CA GLU A 5 -13.724 -12.585 -6.770 1.00 1.33 C ATOM 68 C GLU A 5 -13.228 -13.334 -5.537 1.00 1.31 C ATOM 69 O GLU A 5 -12.933 -14.529 -5.606 1.00 1.58 O ATOM 70 CB GLU A 5 -13.921 -13.565 -7.934 1.00 1.56 C ATOM 71 CG GLU A 5 -14.190 -12.887 -9.269 1.00 1.73 C ATOM 72 CD GLU A 5 -15.369 -11.936 -9.221 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.509 -12.402 -9.003 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.160 -10.723 -9.418 1.00 2.15 O ATOM 0 H GLU A 5 -12.098 -11.828 -7.850 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.678 -12.118 -6.527 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.032 -14.188 -8.026 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.753 -14.229 -7.700 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.300 -12.339 -9.578 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.375 -13.648 -10.027 1.00 1.73 H new ATOM 81 N GLU A 6 -13.119 -12.631 -4.414 1.00 1.20 N ATOM 82 CA GLU A 6 -12.660 -13.247 -3.172 1.00 1.19 C ATOM 83 C GLU A 6 -13.447 -12.722 -1.973 1.00 1.14 C ATOM 84 O GLU A 6 -14.420 -13.339 -1.549 1.00 1.26 O ATOM 85 CB GLU A 6 -11.166 -12.996 -2.957 1.00 1.16 C ATOM 86 CG GLU A 6 -10.270 -13.676 -3.981 1.00 1.41 C ATOM 87 CD GLU A 6 -8.813 -13.310 -3.812 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.373 -12.308 -4.412 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.098 -14.028 -3.082 1.00 1.64 O ATOM 0 H GLU A 6 -13.341 -11.638 -4.337 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.829 -14.320 -3.259 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.981 -11.922 -2.984 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.890 -13.342 -1.961 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.382 -14.757 -3.895 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.596 -13.400 -4.984 1.00 1.41 H new ATOM 96 N MET A 7 -13.012 -11.577 -1.444 1.00 1.05 N ATOM 97 CA MET A 7 -13.648 -10.933 -0.285 1.00 1.09 C ATOM 98 C MET A 7 -13.465 -11.750 0.995 1.00 1.12 C ATOM 99 O MET A 7 -14.277 -11.673 1.914 1.00 1.32 O ATOM 100 CB MET A 7 -15.140 -10.673 -0.540 1.00 1.22 C ATOM 101 CG MET A 7 -15.433 -9.266 -1.037 1.00 1.44 C ATOM 102 SD MET A 7 -14.833 -8.974 -2.715 1.00 1.75 S ATOM 103 CE MET A 7 -16.172 -9.683 -3.669 1.00 2.16 C ATOM 0 H MET A 7 -12.207 -11.066 -1.806 1.00 1.05 H new ATOM 0 HA MET A 7 -13.148 -9.975 -0.145 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.506 -11.392 -1.272 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.694 -10.847 0.382 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.509 -9.092 -1.006 1.00 1.44 H new ATOM 0 HG3 MET A 7 -14.973 -8.544 -0.362 1.00 1.44 H new ATOM 0 HE1 MET A 7 -15.963 -9.567 -4.732 1.00 2.16 H new ATOM 0 HE2 MET A 7 -16.267 -10.743 -3.432 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.103 -9.172 -3.425 1.00 2.16 H new ATOM 113 N VAL A 8 -12.382 -12.519 1.059 1.00 1.13 N ATOM 114 CA VAL A 8 -12.092 -13.332 2.236 1.00 1.22 C ATOM 115 C VAL A 8 -10.689 -13.026 2.755 1.00 1.14 C ATOM 116 O VAL A 8 -9.818 -13.896 2.797 1.00 1.34 O ATOM 117 CB VAL A 8 -12.203 -14.847 1.949 1.00 1.45 C ATOM 118 CG1 VAL A 8 -12.394 -15.619 3.245 1.00 1.70 C ATOM 119 CG2 VAL A 8 -13.333 -15.150 0.976 1.00 1.49 C ATOM 0 H VAL A 8 -11.692 -12.596 0.312 1.00 1.13 H new ATOM 0 HA VAL A 8 -12.839 -13.076 2.987 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.271 -15.167 1.483 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -12.470 -16.684 3.026 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -11.542 -15.444 3.902 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -13.307 -15.283 3.737 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -13.381 -16.224 0.798 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -14.278 -14.809 1.399 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -13.150 -14.634 0.034 1.00 1.49 H new ATOM 129 N GLN A 9 -10.466 -11.774 3.127 1.00 0.97 N ATOM 130 CA GLN A 9 -9.169 -11.351 3.638 1.00 0.93 C ATOM 131 C GLN A 9 -9.269 -10.873 5.089 1.00 0.91 C ATOM 132 O GLN A 9 -10.027 -11.433 5.878 1.00 0.98 O ATOM 133 CB GLN A 9 -8.602 -10.239 2.762 1.00 0.89 C ATOM 134 CG GLN A 9 -8.894 -10.413 1.281 1.00 1.00 C ATOM 135 CD GLN A 9 -7.686 -10.870 0.483 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.544 -10.523 -0.689 1.00 1.49 O ATOM 137 NE2 GLN A 9 -6.818 -11.663 1.096 1.00 1.43 N ATOM 0 H GLN A 9 -11.166 -11.033 3.085 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.500 -12.211 3.612 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.011 -9.285 3.093 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.523 -10.191 2.906 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.698 -11.139 1.159 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.253 -9.468 0.875 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -6.969 -11.929 2.069 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -5.999 -12.007 0.595 1.00 1.43 H new ATOM 146 N THR A 10 -8.498 -9.838 5.420 1.00 0.91 N ATOM 147 CA THR A 10 -8.470 -9.268 6.764 1.00 0.91 C ATOM 148 C THR A 10 -9.846 -8.766 7.211 1.00 0.88 C ATOM 149 O THR A 10 -10.415 -7.854 6.612 1.00 0.82 O ATOM 150 CB THR A 10 -7.463 -8.108 6.820 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.484 -8.276 5.786 1.00 0.98 O ATOM 152 CG2 THR A 10 -6.776 -8.052 8.174 1.00 0.96 C ATOM 0 H THR A 10 -7.874 -9.371 4.762 1.00 0.91 H new ATOM 0 HA THR A 10 -8.168 -10.064 7.445 1.00 0.91 H new ATOM 0 HB THR A 10 -8.001 -7.172 6.670 1.00 0.89 H new ATOM 0 HG1 THR A 10 -5.842 -7.536 5.820 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.068 -7.223 8.189 1.00 0.96 H new ATOM 0 HG22 THR A 10 -7.522 -7.906 8.955 1.00 0.96 H new ATOM 0 HG23 THR A 10 -6.244 -8.987 8.351 1.00 0.96 H new ATOM 160 N GLU A 11 -10.369 -9.370 8.268 1.00 0.99 N ATOM 161 CA GLU A 11 -11.671 -9.004 8.802 1.00 1.04 C ATOM 162 C GLU A 11 -11.535 -7.882 9.828 1.00 1.02 C ATOM 163 O GLU A 11 -10.585 -7.862 10.611 1.00 1.03 O ATOM 164 CB GLU A 11 -12.319 -10.232 9.442 1.00 1.19 C ATOM 165 CG GLU A 11 -13.810 -10.087 9.692 1.00 1.29 C ATOM 166 CD GLU A 11 -14.444 -11.374 10.180 1.00 1.51 C ATOM 167 OE1 GLU A 11 -14.327 -11.681 11.383 1.00 1.89 O ATOM 168 OE2 GLU A 11 -15.061 -12.086 9.360 1.00 1.58 O ATOM 0 H GLU A 11 -9.906 -10.123 8.776 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.301 -8.644 7.989 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -12.152 -11.095 8.798 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -11.821 -10.440 10.389 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -13.977 -9.301 10.429 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -14.300 -9.770 8.772 1.00 1.29 H new ATOM 175 N GLU A 12 -12.472 -6.947 9.811 1.00 1.07 N ATOM 176 CA GLU A 12 -12.461 -5.833 10.748 1.00 1.10 C ATOM 177 C GLU A 12 -13.892 -5.477 11.135 1.00 1.22 C ATOM 178 O GLU A 12 -14.840 -5.941 10.502 1.00 1.54 O ATOM 179 CB GLU A 12 -11.750 -4.626 10.125 1.00 1.07 C ATOM 180 CG GLU A 12 -11.400 -3.515 11.106 1.00 1.18 C ATOM 181 CD GLU A 12 -10.532 -3.987 12.251 1.00 1.74 C ATOM 182 OE1 GLU A 12 -9.312 -4.152 12.050 1.00 2.23 O ATOM 183 OE2 GLU A 12 -11.068 -4.186 13.363 1.00 2.22 O ATOM 0 H GLU A 12 -13.253 -6.937 9.156 1.00 1.07 H new ATOM 0 HA GLU A 12 -11.916 -6.122 11.647 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -10.834 -4.970 9.645 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.385 -4.213 9.341 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.885 -2.716 10.573 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -12.320 -3.089 11.507 1.00 1.18 H new ATOM 190 N MET A 13 -14.033 -4.648 12.166 1.00 1.20 N ATOM 191 CA MET A 13 -15.338 -4.216 12.673 1.00 1.31 C ATOM 192 C MET A 13 -16.271 -3.732 11.560 1.00 1.28 C ATOM 193 O MET A 13 -17.424 -4.155 11.482 1.00 1.46 O ATOM 194 CB MET A 13 -15.152 -3.091 13.693 1.00 1.40 C ATOM 195 CG MET A 13 -14.223 -3.445 14.841 1.00 1.63 C ATOM 196 SD MET A 13 -13.615 -1.988 15.710 1.00 1.83 S ATOM 197 CE MET A 13 -12.541 -2.749 16.923 1.00 2.25 C ATOM 0 H MET A 13 -13.243 -4.254 12.677 1.00 1.20 H new ATOM 0 HA MET A 13 -15.801 -5.085 13.140 1.00 1.31 H new ATOM 0 HB2 MET A 13 -14.761 -2.211 13.181 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.126 -2.818 14.099 1.00 1.40 H new ATOM 0 HG2 MET A 13 -14.749 -4.090 15.544 1.00 1.63 H new ATOM 0 HG3 MET A 13 -13.377 -4.015 14.457 1.00 1.63 H new ATOM 0 HE1 MET A 13 -12.086 -1.976 17.542 1.00 2.25 H new ATOM 0 HE2 MET A 13 -13.123 -3.423 17.552 1.00 2.25 H new ATOM 0 HE3 MET A 13 -11.759 -3.313 16.414 1.00 2.25 H new ATOM 207 N GLU A 14 -15.767 -2.859 10.698 1.00 1.19 N ATOM 208 CA GLU A 14 -16.572 -2.304 9.617 1.00 1.18 C ATOM 209 C GLU A 14 -16.019 -2.706 8.247 1.00 1.09 C ATOM 210 O GLU A 14 -16.444 -2.181 7.218 1.00 1.18 O ATOM 211 CB GLU A 14 -16.613 -0.776 9.742 1.00 1.19 C ATOM 212 CG GLU A 14 -17.862 -0.132 9.160 1.00 1.29 C ATOM 213 CD GLU A 14 -19.133 -0.622 9.817 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.379 -0.263 10.986 1.00 2.13 O ATOM 215 OE2 GLU A 14 -19.894 -1.361 9.164 1.00 2.02 O ATOM 0 H GLU A 14 -14.805 -2.520 10.726 1.00 1.19 H new ATOM 0 HA GLU A 14 -17.582 -2.706 9.699 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -16.538 -0.508 10.796 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -15.738 -0.359 9.244 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.794 0.950 9.273 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -17.908 -0.339 8.091 1.00 1.29 H new ATOM 222 N THR A 15 -15.082 -3.644 8.233 1.00 0.98 N ATOM 223 CA THR A 15 -14.490 -4.096 6.981 1.00 0.90 C ATOM 224 C THR A 15 -14.785 -5.578 6.756 1.00 0.94 C ATOM 225 O THR A 15 -14.355 -6.432 7.536 1.00 0.98 O ATOM 226 CB THR A 15 -12.967 -3.864 6.957 1.00 0.84 C ATOM 227 OG1 THR A 15 -12.652 -2.611 7.582 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.444 -3.867 5.529 1.00 0.91 C ATOM 0 H THR A 15 -14.717 -4.104 9.067 1.00 0.98 H new ATOM 0 HA THR A 15 -14.938 -3.510 6.179 1.00 0.90 H new ATOM 0 HB THR A 15 -12.489 -4.675 7.506 1.00 0.84 H new ATOM 0 HG1 THR A 15 -11.841 -2.239 7.178 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.367 -3.701 5.536 1.00 0.91 H new ATOM 0 HG22 THR A 15 -12.660 -4.829 5.064 1.00 0.91 H new ATOM 0 HG23 THR A 15 -12.930 -3.073 4.962 1.00 0.91 H new ATOM 236 N PRO A 16 -15.512 -5.904 5.675 1.00 0.97 N ATOM 237 CA PRO A 16 -15.891 -7.285 5.356 1.00 1.04 C ATOM 238 C PRO A 16 -14.767 -8.100 4.712 1.00 0.96 C ATOM 239 O PRO A 16 -14.903 -8.574 3.585 1.00 0.96 O ATOM 240 CB PRO A 16 -17.049 -7.099 4.379 1.00 1.12 C ATOM 241 CG PRO A 16 -16.734 -5.828 3.669 1.00 1.07 C ATOM 242 CD PRO A 16 -16.023 -4.950 4.666 1.00 0.98 C ATOM 0 HA PRO A 16 -16.140 -7.850 6.254 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.121 -7.935 3.684 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.004 -7.036 4.901 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.106 -6.015 2.798 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -17.644 -5.348 3.308 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.213 -4.389 4.199 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.700 -4.221 5.111 1.00 0.98 H new ATOM 250 N ARG A 17 -13.661 -8.250 5.441 1.00 0.95 N ATOM 251 CA ARG A 17 -12.509 -9.031 4.984 1.00 0.92 C ATOM 252 C ARG A 17 -11.894 -8.459 3.703 1.00 0.82 C ATOM 253 O ARG A 17 -11.915 -9.097 2.648 1.00 0.83 O ATOM 254 CB ARG A 17 -12.919 -10.494 4.775 1.00 1.01 C ATOM 255 CG ARG A 17 -13.522 -11.133 6.014 1.00 1.13 C ATOM 256 CD ARG A 17 -14.195 -12.456 5.692 1.00 1.19 C ATOM 257 NE ARG A 17 -14.716 -13.105 6.892 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.190 -14.346 6.923 1.00 1.67 C ATOM 259 NH1 ARG A 17 -15.255 -15.071 5.815 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.611 -14.859 8.069 1.00 1.94 N ATOM 0 H ARG A 17 -13.537 -7.834 6.364 1.00 0.95 H new ATOM 0 HA ARG A 17 -11.744 -8.975 5.759 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -13.640 -10.549 3.959 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.045 -11.068 4.467 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.741 -11.293 6.758 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.249 -10.453 6.457 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.009 -12.288 4.987 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.481 -13.118 5.202 1.00 1.19 H new ATOM 0 HE ARG A 17 -14.716 -12.572 7.762 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.940 -14.677 4.929 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -15.620 -16.023 5.849 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -15.571 -14.302 8.923 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.976 -15.811 8.098 1.00 1.94 H new ATOM 274 N LEU A 18 -11.315 -7.266 3.812 1.00 0.75 N ATOM 275 CA LEU A 18 -10.701 -6.596 2.669 1.00 0.67 C ATOM 276 C LEU A 18 -9.225 -6.294 2.940 1.00 0.63 C ATOM 277 O LEU A 18 -8.893 -5.616 3.912 1.00 0.66 O ATOM 278 CB LEU A 18 -11.440 -5.285 2.365 1.00 0.65 C ATOM 279 CG LEU A 18 -12.500 -5.341 1.255 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.534 -6.422 1.524 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.181 -3.989 1.107 1.00 0.66 C ATOM 0 H LEU A 18 -11.258 -6.741 4.685 1.00 0.75 H new ATOM 0 HA LEU A 18 -10.771 -7.264 1.810 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -11.922 -4.944 3.281 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -10.701 -4.531 2.094 1.00 0.65 H new ATOM 0 HG LEU A 18 -11.992 -5.590 0.323 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.268 -6.432 0.718 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.040 -7.392 1.578 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.036 -6.218 2.469 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -13.930 -4.043 0.317 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -13.664 -3.720 2.047 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.438 -3.233 0.851 1.00 0.66 H new ATOM 293 N SER A 19 -8.350 -6.790 2.069 1.00 0.63 N ATOM 294 CA SER A 19 -6.911 -6.572 2.200 1.00 0.64 C ATOM 295 C SER A 19 -6.341 -6.104 0.867 1.00 0.61 C ATOM 296 O SER A 19 -6.602 -6.710 -0.174 1.00 0.70 O ATOM 297 CB SER A 19 -6.209 -7.855 2.652 1.00 0.77 C ATOM 298 OG SER A 19 -4.828 -7.830 2.340 1.00 1.44 O ATOM 0 H SER A 19 -8.615 -7.350 1.259 1.00 0.63 H new ATOM 0 HA SER A 19 -6.740 -5.805 2.955 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.338 -7.982 3.727 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.676 -8.715 2.171 1.00 0.77 H new ATOM 0 HG SER A 19 -4.306 -7.984 3.155 1.00 1.44 H new ATOM 304 N VAL A 20 -5.574 -5.026 0.897 1.00 0.55 N ATOM 305 CA VAL A 20 -4.993 -4.476 -0.314 1.00 0.56 C ATOM 306 C VAL A 20 -3.516 -4.838 -0.445 1.00 0.67 C ATOM 307 O VAL A 20 -2.797 -4.966 0.550 1.00 0.73 O ATOM 308 CB VAL A 20 -5.157 -2.941 -0.360 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.290 -2.266 0.691 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.838 -2.405 -1.746 1.00 0.53 C ATOM 0 H VAL A 20 -5.340 -4.515 1.748 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.531 -4.917 -1.153 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.198 -2.709 -0.136 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.426 -1.186 0.636 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.579 -2.618 1.681 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.243 -2.510 0.510 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -4.960 -1.322 -1.754 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.809 -2.656 -2.005 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.515 -2.852 -2.474 1.00 0.53 H new ATOM 320 N ILE A 21 -3.075 -5.016 -1.681 1.00 0.73 N ATOM 321 CA ILE A 21 -1.690 -5.339 -1.954 1.00 0.86 C ATOM 322 C ILE A 21 -0.889 -4.058 -2.127 1.00 0.87 C ATOM 323 O ILE A 21 -0.948 -3.422 -3.179 1.00 0.88 O ATOM 324 CB ILE A 21 -1.544 -6.201 -3.225 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.321 -7.508 -3.075 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.074 -6.483 -3.516 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.351 -8.337 -4.339 1.00 1.10 C ATOM 0 H ILE A 21 -3.662 -4.941 -2.512 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.311 -5.912 -1.107 1.00 0.86 H new ATOM 0 HB ILE A 21 -1.959 -5.647 -4.067 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.875 -8.097 -2.273 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.344 -7.282 -2.773 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.008 -7.092 -4.416 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.454 -5.541 -3.665 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.367 -7.017 -2.675 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.919 -9.250 -4.162 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.823 -7.765 -5.138 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.332 -8.594 -4.630 1.00 1.10 H new ATOM 339 N VAL A 22 -0.180 -3.662 -1.081 1.00 0.89 N ATOM 340 CA VAL A 22 0.634 -2.461 -1.134 1.00 0.93 C ATOM 341 C VAL A 22 2.028 -2.804 -1.624 1.00 1.07 C ATOM 342 O VAL A 22 2.884 -3.243 -0.848 1.00 1.15 O ATOM 343 CB VAL A 22 0.732 -1.763 0.236 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.385 -0.395 0.092 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.641 -1.640 0.879 1.00 0.80 C ATOM 0 H VAL A 22 -0.153 -4.154 -0.188 1.00 0.89 H new ATOM 0 HA VAL A 22 0.150 -1.772 -1.826 1.00 0.93 H new ATOM 0 HB VAL A 22 1.356 -2.374 0.888 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.446 0.084 1.069 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.388 -0.512 -0.318 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.789 0.224 -0.579 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.547 -1.144 1.845 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.294 -1.054 0.232 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.067 -2.633 1.021 1.00 0.80 H new ATOM 355 N THR A 23 2.248 -2.622 -2.912 1.00 1.12 N ATOM 356 CA THR A 23 3.534 -2.927 -3.503 1.00 1.26 C ATOM 357 C THR A 23 4.339 -1.653 -3.770 1.00 1.32 C ATOM 358 O THR A 23 3.806 -0.539 -3.751 1.00 1.28 O ATOM 359 CB THR A 23 3.378 -3.752 -4.805 1.00 1.33 C ATOM 360 OG1 THR A 23 4.655 -4.226 -5.250 1.00 1.89 O ATOM 361 CG2 THR A 23 2.726 -2.933 -5.909 1.00 1.63 C ATOM 0 H THR A 23 1.553 -2.265 -3.567 1.00 1.12 H new ATOM 0 HA THR A 23 4.084 -3.533 -2.783 1.00 1.26 H new ATOM 0 HB THR A 23 2.732 -4.601 -4.580 1.00 1.33 H new ATOM 0 HG1 THR A 23 5.061 -4.779 -4.550 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.632 -3.543 -6.808 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.737 -2.609 -5.586 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.341 -2.060 -6.126 1.00 1.63 H new ATOM 369 N HIS A 24 5.627 -1.842 -4.000 1.00 1.45 N ATOM 370 CA HIS A 24 6.558 -0.758 -4.265 1.00 1.54 C ATOM 371 C HIS A 24 7.815 -1.347 -4.884 1.00 1.61 C ATOM 372 O HIS A 24 8.723 -1.774 -4.168 1.00 1.63 O ATOM 373 CB HIS A 24 6.878 -0.007 -2.962 1.00 1.58 C ATOM 374 CG HIS A 24 8.040 0.941 -3.036 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.061 0.931 -2.114 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.336 1.932 -3.911 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.935 1.872 -2.415 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.517 2.494 -3.500 1.00 1.86 N ATOM 0 H HIS A 24 6.062 -2.765 -4.008 1.00 1.45 H new ATOM 0 HA HIS A 24 6.119 -0.040 -4.958 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.993 0.552 -2.658 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.077 -0.739 -2.180 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.131 0.294 -1.320 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.751 2.224 -4.771 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.838 2.095 -1.867 1.00 1.88 H new ATOM 0 HE2 HIS A 24 9.995 3.269 -3.960 1.00 1.86 H new ATOM 387 N SER A 25 7.823 -1.417 -6.213 1.00 1.68 N ATOM 388 CA SER A 25 8.937 -1.973 -6.981 1.00 1.77 C ATOM 389 C SER A 25 9.004 -3.495 -6.816 1.00 1.80 C ATOM 390 O SER A 25 8.865 -4.238 -7.785 1.00 1.90 O ATOM 391 CB SER A 25 10.262 -1.318 -6.580 1.00 1.78 C ATOM 392 OG SER A 25 10.149 0.096 -6.591 1.00 1.90 O ATOM 0 H SER A 25 7.051 -1.087 -6.793 1.00 1.68 H new ATOM 0 HA SER A 25 8.763 -1.755 -8.035 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.554 -1.656 -5.586 1.00 1.78 H new ATOM 0 HB3 SER A 25 11.049 -1.630 -7.266 1.00 1.78 H new ATOM 0 HG SER A 25 11.005 0.495 -6.330 1.00 1.90 H new ATOM 398 N ASN A 26 9.215 -3.953 -5.588 1.00 1.77 N ATOM 399 CA ASN A 26 9.282 -5.383 -5.298 1.00 1.82 C ATOM 400 C ASN A 26 8.681 -5.670 -3.921 1.00 1.75 C ATOM 401 O ASN A 26 8.602 -6.819 -3.484 1.00 1.87 O ATOM 402 CB ASN A 26 10.733 -5.868 -5.358 1.00 1.95 C ATOM 403 CG ASN A 26 10.843 -7.373 -5.530 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.938 -8.018 -6.057 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.956 -7.939 -5.091 1.00 2.32 N ATOM 0 H ASN A 26 9.343 -3.353 -4.773 1.00 1.77 H new ATOM 0 HA ASN A 26 8.705 -5.921 -6.050 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.243 -5.374 -6.185 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.248 -5.573 -4.444 1.00 1.95 H new ATOM 0 HD21 ASN A 26 12.087 -8.946 -5.184 1.00 2.32 H new ATOM 0 HD22 ASN A 26 12.683 -7.368 -4.660 1.00 2.32 H new ATOM 412 N GLU A 27 8.248 -4.609 -3.250 1.00 1.66 N ATOM 413 CA GLU A 27 7.657 -4.707 -1.919 1.00 1.60 C ATOM 414 C GLU A 27 6.290 -5.381 -1.952 1.00 1.47 C ATOM 415 O GLU A 27 5.637 -5.436 -2.995 1.00 1.48 O ATOM 416 CB GLU A 27 7.507 -3.312 -1.318 1.00 1.63 C ATOM 417 CG GLU A 27 8.369 -3.063 -0.099 1.00 1.89 C ATOM 418 CD GLU A 27 8.154 -1.681 0.472 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.673 -0.706 -0.107 1.00 2.14 O ATOM 420 OE2 GLU A 27 7.457 -1.554 1.499 1.00 2.24 O ATOM 0 H GLU A 27 8.296 -3.657 -3.612 1.00 1.66 H new ATOM 0 HA GLU A 27 8.324 -5.316 -1.309 1.00 1.60 H new ATOM 0 HB2 GLU A 27 7.753 -2.572 -2.080 1.00 1.63 H new ATOM 0 HB3 GLU A 27 6.463 -3.156 -1.048 1.00 1.63 H new ATOM 0 HG2 GLU A 27 8.144 -3.809 0.663 1.00 1.89 H new ATOM 0 HG3 GLU A 27 9.419 -3.186 -0.366 1.00 1.89 H new ATOM 427 N ARG A 28 5.864 -5.880 -0.802 1.00 1.44 N ATOM 428 CA ARG A 28 4.574 -6.537 -0.669 1.00 1.33 C ATOM 429 C ARG A 28 4.078 -6.413 0.769 1.00 1.28 C ATOM 430 O ARG A 28 4.334 -7.285 1.602 1.00 1.36 O ATOM 431 CB ARG A 28 4.665 -8.015 -1.060 1.00 1.41 C ATOM 432 CG ARG A 28 3.512 -8.493 -1.940 1.00 1.45 C ATOM 433 CD ARG A 28 2.160 -8.325 -1.257 1.00 1.48 C ATOM 434 NE ARG A 28 2.081 -9.057 0.008 1.00 1.48 N ATOM 435 CZ ARG A 28 1.018 -9.050 0.818 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.067 -8.353 0.501 1.00 1.47 N ATOM 437 NH2 ARG A 28 1.033 -9.744 1.947 1.00 1.92 N ATOM 0 H ARG A 28 6.402 -5.841 0.064 1.00 1.44 H new ATOM 0 HA ARG A 28 3.870 -6.048 -1.343 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.605 -8.185 -1.585 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.693 -8.620 -0.154 1.00 1.41 H new ATOM 0 HG2 ARG A 28 3.516 -7.935 -2.876 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.661 -9.543 -2.194 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.977 -7.266 -1.073 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.372 -8.673 -1.925 1.00 1.48 H new ATOM 0 HE ARG A 28 2.891 -9.609 0.290 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.094 -7.817 -0.367 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.874 -8.353 1.125 1.00 1.47 H new ATOM 0 HH21 ARG A 28 1.858 -10.287 2.201 1.00 1.92 H new ATOM 0 HH22 ARG A 28 0.219 -9.735 2.562 1.00 1.92 H new ATOM 451 N TYR A 29 3.385 -5.323 1.058 1.00 1.17 N ATOM 452 CA TYR A 29 2.854 -5.091 2.392 1.00 1.13 C ATOM 453 C TYR A 29 1.350 -5.317 2.400 1.00 1.01 C ATOM 454 O TYR A 29 0.668 -5.018 1.417 1.00 1.00 O ATOM 455 CB TYR A 29 3.178 -3.671 2.863 1.00 1.13 C ATOM 456 CG TYR A 29 4.530 -3.551 3.536 1.00 1.30 C ATOM 457 CD1 TYR A 29 5.670 -4.099 2.959 1.00 1.60 C ATOM 458 CD2 TYR A 29 4.663 -2.897 4.751 1.00 1.52 C ATOM 459 CE1 TYR A 29 6.903 -4.000 3.578 1.00 1.88 C ATOM 460 CE2 TYR A 29 5.892 -2.793 5.376 1.00 1.82 C ATOM 461 CZ TYR A 29 7.008 -3.344 4.785 1.00 1.91 C ATOM 462 OH TYR A 29 8.235 -3.238 5.405 1.00 2.29 O ATOM 0 H TYR A 29 3.177 -4.584 0.386 1.00 1.17 H new ATOM 0 HA TYR A 29 3.323 -5.796 3.079 1.00 1.13 H new ATOM 0 HB2 TYR A 29 3.146 -2.997 2.007 1.00 1.13 H new ATOM 0 HB3 TYR A 29 2.405 -3.342 3.557 1.00 1.13 H new ATOM 0 HD1 TYR A 29 5.592 -4.611 2.011 1.00 1.60 H new ATOM 0 HD2 TYR A 29 3.792 -2.461 5.217 1.00 1.52 H new ATOM 0 HE1 TYR A 29 7.778 -4.434 3.118 1.00 1.88 H new ATOM 0 HE2 TYR A 29 5.977 -2.282 6.324 1.00 1.82 H new ATOM 0 HH TYR A 29 8.135 -2.745 6.246 1.00 2.29 H new ATOM 472 N ASP A 30 0.845 -5.852 3.500 1.00 0.98 N ATOM 473 CA ASP A 30 -0.579 -6.125 3.638 1.00 0.90 C ATOM 474 C ASP A 30 -1.249 -5.035 4.461 1.00 0.84 C ATOM 475 O ASP A 30 -0.784 -4.698 5.549 1.00 0.96 O ATOM 476 CB ASP A 30 -0.786 -7.482 4.304 1.00 0.97 C ATOM 477 CG ASP A 30 -1.920 -8.261 3.683 1.00 1.07 C ATOM 478 OD1 ASP A 30 -1.678 -8.945 2.665 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.050 -8.201 4.213 1.00 1.34 O ATOM 0 H ASP A 30 1.402 -6.107 4.315 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.030 -6.141 2.646 1.00 0.90 H new ATOM 0 HB2 ASP A 30 0.133 -8.063 4.231 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -0.988 -7.336 5.365 1.00 0.97 H new ATOM 484 N LEU A 31 -2.330 -4.481 3.940 1.00 0.71 N ATOM 485 CA LEU A 31 -3.046 -3.425 4.636 1.00 0.66 C ATOM 486 C LEU A 31 -4.550 -3.626 4.500 1.00 0.58 C ATOM 487 O LEU A 31 -5.031 -4.113 3.478 1.00 0.59 O ATOM 488 CB LEU A 31 -2.630 -2.054 4.085 1.00 0.66 C ATOM 489 CG LEU A 31 -2.559 -0.911 5.109 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.921 -0.267 5.296 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.017 -1.408 6.440 1.00 0.98 C ATOM 0 H LEU A 31 -2.731 -4.744 3.040 1.00 0.71 H new ATOM 0 HA LEU A 31 -2.791 -3.465 5.695 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -1.652 -2.155 3.614 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.333 -1.771 3.302 1.00 0.66 H new ATOM 0 HG LEU A 31 -1.874 -0.157 4.722 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.845 0.539 6.026 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.267 0.136 4.344 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.631 -1.014 5.653 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.976 -0.580 7.148 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.671 -2.188 6.831 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.015 -1.812 6.297 1.00 0.98 H new ATOM 503 N LEU A 32 -5.276 -3.264 5.544 1.00 0.55 N ATOM 504 CA LEU A 32 -6.722 -3.396 5.565 1.00 0.52 C ATOM 505 C LEU A 32 -7.387 -2.156 4.980 1.00 0.43 C ATOM 506 O LEU A 32 -6.933 -1.037 5.211 1.00 0.43 O ATOM 507 CB LEU A 32 -7.197 -3.607 7.004 1.00 0.60 C ATOM 508 CG LEU A 32 -8.712 -3.552 7.205 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.290 -4.953 7.294 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.053 -2.745 8.445 1.00 0.85 C ATOM 0 H LEU A 32 -4.881 -2.871 6.398 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.001 -4.256 4.957 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -6.836 -4.575 7.351 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -6.735 -2.849 7.637 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.159 -3.057 6.343 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.369 -4.893 7.437 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.076 -5.494 6.373 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.841 -5.479 8.137 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.135 -2.716 8.574 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -8.596 -3.210 9.319 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -8.673 -1.729 8.334 1.00 0.85 H new ATOM 522 N VAL A 33 -8.461 -2.368 4.230 1.00 0.41 N ATOM 523 CA VAL A 33 -9.197 -1.271 3.613 1.00 0.36 C ATOM 524 C VAL A 33 -9.807 -0.358 4.674 1.00 0.41 C ATOM 525 O VAL A 33 -10.297 -0.827 5.706 1.00 0.51 O ATOM 526 CB VAL A 33 -10.296 -1.802 2.664 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.424 -0.796 2.473 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.684 -2.164 1.324 1.00 0.56 C ATOM 0 H VAL A 33 -8.843 -3.293 4.034 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.489 -0.689 3.023 1.00 0.36 H new ATOM 0 HB VAL A 33 -10.730 -2.690 3.123 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.173 -1.212 1.799 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.884 -0.578 3.437 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.023 0.124 2.046 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.462 -2.538 0.658 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.223 -1.280 0.884 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -8.927 -2.935 1.466 1.00 0.56 H new ATOM 538 N THR A 34 -9.763 0.943 4.405 1.00 0.39 N ATOM 539 CA THR A 34 -10.292 1.941 5.319 1.00 0.48 C ATOM 540 C THR A 34 -11.789 1.734 5.548 1.00 0.59 C ATOM 541 O THR A 34 -12.590 1.812 4.613 1.00 0.65 O ATOM 542 CB THR A 34 -10.047 3.360 4.776 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.777 3.417 4.106 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.073 4.387 5.899 1.00 0.64 C ATOM 0 H THR A 34 -9.361 1.330 3.551 1.00 0.39 H new ATOM 0 HA THR A 34 -9.771 1.827 6.270 1.00 0.48 H new ATOM 0 HB THR A 34 -10.845 3.594 4.072 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.871 3.066 3.196 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.897 5.381 5.487 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.046 4.365 6.390 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.295 4.152 6.625 1.00 0.64 H new ATOM 552 N PRO A 35 -12.179 1.449 6.800 1.00 0.73 N ATOM 553 CA PRO A 35 -13.577 1.220 7.163 1.00 0.89 C ATOM 554 C PRO A 35 -14.381 2.517 7.258 1.00 0.93 C ATOM 555 O PRO A 35 -13.997 3.541 6.690 1.00 0.93 O ATOM 556 CB PRO A 35 -13.470 0.557 8.539 1.00 1.07 C ATOM 557 CG PRO A 35 -12.204 1.082 9.119 1.00 1.07 C ATOM 558 CD PRO A 35 -11.273 1.319 7.959 1.00 0.82 C ATOM 0 HA PRO A 35 -14.100 0.622 6.417 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -14.326 0.808 9.166 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -13.445 -0.529 8.453 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -12.382 2.006 9.669 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -11.774 0.370 9.823 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -10.676 2.220 8.103 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -10.575 0.491 7.830 1.00 0.82 H new ATOM 566 N GLN A 36 -15.498 2.455 7.987 1.00 1.02 N ATOM 567 CA GLN A 36 -16.376 3.608 8.187 1.00 1.13 C ATOM 568 C GLN A 36 -16.986 4.070 6.864 1.00 1.16 C ATOM 569 O GLN A 36 -16.995 5.264 6.555 1.00 1.24 O ATOM 570 CB GLN A 36 -15.614 4.767 8.850 1.00 1.16 C ATOM 571 CG GLN A 36 -14.807 4.360 10.076 1.00 1.38 C ATOM 572 CD GLN A 36 -15.648 4.240 11.330 1.00 1.95 C ATOM 573 OE1 GLN A 36 -16.832 3.913 11.276 1.00 2.47 O ATOM 574 NE2 GLN A 36 -15.038 4.511 12.471 1.00 2.33 N ATOM 0 H GLN A 36 -15.818 1.606 8.454 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.184 3.297 8.849 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.941 5.212 8.117 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.327 5.539 9.138 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -14.318 3.405 9.881 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.018 5.093 10.244 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -14.054 4.779 12.472 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -15.552 4.452 13.350 1.00 2.33 H new ATOM 583 N GLN A 37 -17.502 3.117 6.093 1.00 1.15 N ATOM 584 CA GLN A 37 -18.111 3.425 4.805 1.00 1.23 C ATOM 585 C GLN A 37 -19.081 2.314 4.390 1.00 1.30 C ATOM 586 O GLN A 37 -19.508 1.509 5.221 1.00 1.64 O ATOM 587 CB GLN A 37 -17.022 3.624 3.742 1.00 1.16 C ATOM 588 CG GLN A 37 -17.348 4.695 2.706 1.00 1.33 C ATOM 589 CD GLN A 37 -18.405 5.674 3.179 1.00 1.52 C ATOM 590 OE1 GLN A 37 -17.986 6.714 3.881 1.00 1.79 O flip ATOM 591 NE2 GLN A 37 -19.593 5.489 2.921 1.00 1.82 N flip ATOM 0 H GLN A 37 -17.510 2.127 6.338 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.678 4.351 4.897 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.088 3.888 4.239 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -16.854 2.677 3.229 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -16.438 5.242 2.459 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.690 4.214 1.790 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.876 4.674 2.376 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.296 6.150 3.252 1.00 1.82 H new ATOM 600 N GLY A 38 -19.416 2.270 3.104 1.00 1.14 N ATOM 601 CA GLY A 38 -20.345 1.274 2.598 1.00 1.21 C ATOM 602 C GLY A 38 -19.694 -0.066 2.315 1.00 1.14 C ATOM 603 O GLY A 38 -19.678 -0.512 1.169 1.00 1.17 O ATOM 0 H GLY A 38 -19.057 2.912 2.397 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.147 1.134 3.323 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.804 1.647 1.683 1.00 1.21 H new ATOM 607 N ASN A 39 -19.184 -0.700 3.377 1.00 1.13 N ATOM 608 CA ASN A 39 -18.516 -2.014 3.327 1.00 1.11 C ATOM 609 C ASN A 39 -17.578 -2.182 2.124 1.00 0.97 C ATOM 610 O ASN A 39 -16.402 -1.838 2.213 1.00 0.89 O ATOM 611 CB ASN A 39 -19.527 -3.181 3.419 1.00 1.30 C ATOM 612 CG ASN A 39 -20.788 -2.996 2.590 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.841 -3.390 1.424 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.811 -2.404 3.186 1.00 1.70 N ATOM 0 H ASN A 39 -19.223 -0.309 4.318 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.881 -2.049 4.212 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.032 -4.099 3.102 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.811 -3.316 4.463 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.684 -2.260 2.678 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.727 -2.092 4.153 1.00 1.70 H new ATOM 621 N SER A 40 -18.088 -2.714 1.017 1.00 1.02 N ATOM 622 CA SER A 40 -17.281 -2.931 -0.182 1.00 0.95 C ATOM 623 C SER A 40 -16.794 -1.614 -0.790 1.00 0.87 C ATOM 624 O SER A 40 -15.798 -1.589 -1.512 1.00 0.82 O ATOM 625 CB SER A 40 -18.086 -3.717 -1.218 1.00 1.07 C ATOM 626 OG SER A 40 -18.735 -4.827 -0.619 1.00 1.30 O ATOM 0 H SER A 40 -19.061 -3.004 0.924 1.00 1.02 H new ATOM 0 HA SER A 40 -16.402 -3.504 0.112 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.826 -3.064 -1.681 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.425 -4.063 -2.012 1.00 1.07 H new ATOM 0 HG SER A 40 -19.245 -5.314 -1.299 1.00 1.30 H new ATOM 632 N GLU A 41 -17.502 -0.529 -0.504 1.00 0.92 N ATOM 633 CA GLU A 41 -17.137 0.784 -1.017 1.00 0.88 C ATOM 634 C GLU A 41 -16.338 1.561 0.026 1.00 0.81 C ATOM 635 O GLU A 41 -16.901 2.033 1.015 1.00 0.90 O ATOM 636 CB GLU A 41 -18.387 1.575 -1.401 1.00 1.02 C ATOM 637 CG GLU A 41 -19.220 0.921 -2.490 1.00 1.34 C ATOM 638 CD GLU A 41 -20.410 1.770 -2.884 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.373 1.862 -2.095 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.391 2.359 -3.986 1.00 1.73 O ATOM 0 H GLU A 41 -18.336 -0.533 0.083 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.520 0.643 -1.904 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.007 1.709 -0.514 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.088 2.569 -1.734 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.596 0.744 -3.366 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.568 -0.052 -2.144 1.00 1.34 H new ATOM 647 N PRO A 42 -15.018 1.685 -0.172 1.00 0.69 N ATOM 648 CA PRO A 42 -14.138 2.406 0.749 1.00 0.67 C ATOM 649 C PRO A 42 -14.293 3.922 0.637 1.00 0.69 C ATOM 650 O PRO A 42 -14.929 4.424 -0.289 1.00 0.77 O ATOM 651 CB PRO A 42 -12.724 1.992 0.313 1.00 0.60 C ATOM 652 CG PRO A 42 -12.904 0.920 -0.713 1.00 0.62 C ATOM 653 CD PRO A 42 -14.271 1.121 -1.297 1.00 0.64 C ATOM 0 HA PRO A 42 -14.367 2.164 1.787 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.180 2.841 -0.101 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.146 1.626 1.162 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.138 0.988 -1.485 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.815 -0.068 -0.262 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.252 1.798 -2.151 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.706 0.183 -1.643 1.00 0.64 H new ATOM 661 N VAL A 43 -13.703 4.645 1.584 1.00 0.67 N ATOM 662 CA VAL A 43 -13.768 6.106 1.592 1.00 0.72 C ATOM 663 C VAL A 43 -12.888 6.697 0.492 1.00 0.65 C ATOM 664 O VAL A 43 -12.007 6.020 -0.034 1.00 0.58 O ATOM 665 CB VAL A 43 -13.342 6.692 2.958 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.298 6.256 4.054 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.918 6.290 3.307 1.00 0.67 C ATOM 0 H VAL A 43 -13.173 4.244 2.358 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.808 6.377 1.409 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.379 7.778 2.879 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -13.978 6.680 5.006 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.303 6.606 3.820 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.300 5.168 4.124 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.646 6.716 4.273 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.849 5.203 3.358 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.237 6.662 2.541 1.00 0.67 H new ATOM 677 N VAL A 44 -13.110 7.966 0.159 1.00 0.72 N ATOM 678 CA VAL A 44 -12.327 8.629 -0.888 1.00 0.71 C ATOM 679 C VAL A 44 -10.878 8.844 -0.450 1.00 0.66 C ATOM 680 O VAL A 44 -10.012 9.158 -1.263 1.00 0.68 O ATOM 681 CB VAL A 44 -12.935 9.989 -1.302 1.00 0.85 C ATOM 682 CG1 VAL A 44 -14.336 9.807 -1.861 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.945 10.958 -0.131 1.00 0.98 C ATOM 0 H VAL A 44 -13.820 8.555 0.594 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.351 7.962 -1.749 1.00 0.71 H new ATOM 0 HB VAL A 44 -12.308 10.413 -2.087 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -14.743 10.777 -2.145 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -14.297 9.159 -2.737 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.974 9.354 -1.103 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.377 11.907 -0.448 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.541 10.541 0.681 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.924 11.122 0.215 1.00 0.98 H new ATOM 693 N GLN A 45 -10.628 8.672 0.842 1.00 0.66 N ATOM 694 CA GLN A 45 -9.292 8.839 1.400 1.00 0.65 C ATOM 695 C GLN A 45 -8.606 7.483 1.552 1.00 0.57 C ATOM 696 O GLN A 45 -7.435 7.403 1.923 1.00 0.62 O ATOM 697 CB GLN A 45 -9.385 9.537 2.758 1.00 0.74 C ATOM 698 CG GLN A 45 -8.060 10.069 3.278 1.00 1.07 C ATOM 699 CD GLN A 45 -8.174 10.647 4.673 1.00 1.44 C ATOM 700 OE1 GLN A 45 -9.218 11.167 5.059 1.00 1.88 O ATOM 701 NE2 GLN A 45 -7.101 10.555 5.440 1.00 1.94 N ATOM 0 H GLN A 45 -11.339 8.415 1.527 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.699 9.452 0.721 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -10.091 10.364 2.681 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -9.793 8.837 3.487 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -7.325 9.264 3.281 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -7.689 10.837 2.599 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -6.254 10.115 5.081 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -7.121 10.924 6.391 1.00 1.94 H new ATOM 710 N ASP A 46 -9.338 6.422 1.233 1.00 0.49 N ATOM 711 CA ASP A 46 -8.822 5.061 1.348 1.00 0.42 C ATOM 712 C ASP A 46 -7.599 4.855 0.465 1.00 0.41 C ATOM 713 O ASP A 46 -6.599 4.291 0.900 1.00 0.46 O ATOM 714 CB ASP A 46 -9.908 4.054 0.978 1.00 0.38 C ATOM 715 CG ASP A 46 -9.372 2.648 0.830 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.189 1.972 1.866 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.142 2.215 -0.323 1.00 0.31 O ATOM 0 H ASP A 46 -10.297 6.478 0.890 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.521 4.903 2.384 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.684 4.064 1.744 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.378 4.360 0.043 1.00 0.38 H new ATOM 722 N LEU A 47 -7.680 5.353 -0.764 1.00 0.46 N ATOM 723 CA LEU A 47 -6.590 5.232 -1.731 1.00 0.54 C ATOM 724 C LEU A 47 -5.272 5.769 -1.170 1.00 0.56 C ATOM 725 O LEU A 47 -4.192 5.311 -1.543 1.00 0.65 O ATOM 726 CB LEU A 47 -6.955 5.972 -3.024 1.00 0.66 C ATOM 727 CG LEU A 47 -7.670 7.316 -2.837 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.669 8.446 -2.694 1.00 1.41 C ATOM 729 CD2 LEU A 47 -8.606 7.588 -3.998 1.00 1.00 C ATOM 0 H LEU A 47 -8.497 5.850 -1.119 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.449 4.173 -1.945 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -6.042 6.142 -3.594 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.591 5.323 -3.626 1.00 0.66 H new ATOM 0 HG LEU A 47 -8.258 7.260 -1.921 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -7.201 9.388 -2.563 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -6.035 8.263 -1.826 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.051 8.500 -3.590 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -9.104 8.546 -3.847 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.035 7.618 -4.926 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.353 6.796 -4.057 1.00 1.00 H new ATOM 741 N ALA A 48 -5.369 6.729 -0.264 1.00 0.58 N ATOM 742 CA ALA A 48 -4.194 7.322 0.346 1.00 0.69 C ATOM 743 C ALA A 48 -3.848 6.623 1.653 1.00 0.67 C ATOM 744 O ALA A 48 -2.682 6.327 1.920 1.00 0.76 O ATOM 745 CB ALA A 48 -4.422 8.808 0.581 1.00 0.83 C ATOM 0 H ALA A 48 -6.254 7.114 0.065 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.352 7.197 -0.335 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.534 9.244 1.039 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.618 9.301 -0.371 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.277 8.945 1.243 1.00 0.83 H new ATOM 751 N GLN A 49 -4.870 6.335 2.449 1.00 0.60 N ATOM 752 CA GLN A 49 -4.686 5.685 3.741 1.00 0.62 C ATOM 753 C GLN A 49 -4.074 4.296 3.597 1.00 0.59 C ATOM 754 O GLN A 49 -3.256 3.889 4.420 1.00 0.66 O ATOM 755 CB GLN A 49 -6.017 5.585 4.491 1.00 0.62 C ATOM 756 CG GLN A 49 -6.422 6.869 5.203 1.00 0.95 C ATOM 757 CD GLN A 49 -5.253 7.808 5.426 1.00 1.27 C ATOM 758 OE1 GLN A 49 -5.039 8.746 4.658 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.485 7.557 6.472 1.00 1.43 N ATOM 0 H GLN A 49 -5.842 6.543 2.220 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.994 6.303 4.313 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.801 5.310 3.785 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -5.951 4.780 5.223 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.186 7.379 4.616 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -6.871 6.620 6.164 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.698 6.769 7.084 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -3.679 8.151 6.668 1.00 1.43 H new ATOM 768 N LEU A 50 -4.477 3.581 2.556 1.00 0.52 N ATOM 769 CA LEU A 50 -3.977 2.234 2.304 1.00 0.53 C ATOM 770 C LEU A 50 -2.457 2.199 2.238 1.00 0.65 C ATOM 771 O LEU A 50 -1.815 1.397 2.910 1.00 0.72 O ATOM 772 CB LEU A 50 -4.545 1.691 0.993 1.00 0.46 C ATOM 773 CG LEU A 50 -6.013 1.276 1.041 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.439 0.682 -0.290 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.252 0.284 2.167 1.00 0.40 C ATOM 0 H LEU A 50 -5.153 3.913 1.868 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.302 1.611 3.137 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.424 2.451 0.221 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.951 0.830 0.688 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.616 2.164 1.233 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.488 0.391 -0.239 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.305 1.423 -1.078 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.830 -0.195 -0.509 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.304 0.000 2.185 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.640 -0.603 2.006 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -5.984 0.742 3.119 1.00 0.40 H new ATOM 787 N VAL A 51 -1.888 3.081 1.437 1.00 0.70 N ATOM 788 CA VAL A 51 -0.444 3.132 1.268 1.00 0.84 C ATOM 789 C VAL A 51 0.233 3.801 2.459 1.00 0.90 C ATOM 790 O VAL A 51 1.301 3.370 2.900 1.00 1.01 O ATOM 791 CB VAL A 51 -0.052 3.875 -0.026 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.309 3.412 -0.512 1.00 1.56 C ATOM 793 CG2 VAL A 51 -1.106 3.675 -1.104 1.00 1.37 C ATOM 0 H VAL A 51 -2.402 3.773 0.892 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.101 2.100 1.200 1.00 0.84 H new ATOM 0 HB VAL A 51 0.006 4.941 0.195 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.570 3.946 -1.426 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.057 3.616 0.254 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.278 2.341 -0.714 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.808 4.208 -2.007 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -1.203 2.612 -1.325 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -2.063 4.062 -0.753 1.00 1.37 H new ATOM 803 N GLU A 52 -0.405 4.839 2.988 1.00 0.86 N ATOM 804 CA GLU A 52 0.136 5.577 4.125 1.00 0.93 C ATOM 805 C GLU A 52 0.268 4.686 5.356 1.00 0.95 C ATOM 806 O GLU A 52 1.358 4.516 5.894 1.00 1.07 O ATOM 807 CB GLU A 52 -0.751 6.781 4.451 1.00 0.91 C ATOM 808 CG GLU A 52 -0.224 7.641 5.589 1.00 1.13 C ATOM 809 CD GLU A 52 -1.194 8.724 6.010 1.00 1.17 C ATOM 810 OE1 GLU A 52 -1.170 9.817 5.410 1.00 1.40 O ATOM 811 OE2 GLU A 52 -1.972 8.495 6.958 1.00 1.37 O ATOM 0 H GLU A 52 -1.300 5.190 2.647 1.00 0.86 H new ATOM 0 HA GLU A 52 1.131 5.926 3.847 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.852 7.398 3.558 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.749 6.426 4.708 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.004 7.005 6.446 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.716 8.101 5.284 1.00 1.13 H new ATOM 818 N GLU A 53 -0.846 4.096 5.775 1.00 0.86 N ATOM 819 CA GLU A 53 -0.879 3.240 6.958 1.00 0.89 C ATOM 820 C GLU A 53 -0.077 1.954 6.756 1.00 0.93 C ATOM 821 O GLU A 53 0.375 1.336 7.721 1.00 1.01 O ATOM 822 CB GLU A 53 -2.329 2.889 7.299 1.00 0.85 C ATOM 823 CG GLU A 53 -2.558 2.599 8.771 1.00 1.33 C ATOM 824 CD GLU A 53 -3.164 3.777 9.498 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.486 4.812 9.632 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.333 3.677 9.930 1.00 1.81 O ATOM 0 H GLU A 53 -1.747 4.196 5.308 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.422 3.793 7.779 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.974 3.714 6.996 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.629 2.019 6.716 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.215 1.735 8.871 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.610 2.334 9.239 1.00 1.33 H new ATOM 833 N ALA A 54 0.106 1.566 5.499 1.00 0.93 N ATOM 834 CA ALA A 54 0.831 0.342 5.162 1.00 1.00 C ATOM 835 C ALA A 54 2.241 0.314 5.733 1.00 1.15 C ATOM 836 O ALA A 54 2.711 -0.732 6.178 1.00 1.28 O ATOM 837 CB ALA A 54 0.892 0.161 3.657 1.00 1.06 C ATOM 0 H ALA A 54 -0.239 2.084 4.691 1.00 0.93 H new ATOM 0 HA ALA A 54 0.277 -0.480 5.616 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.435 -0.755 3.422 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.120 0.095 3.257 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.405 1.012 3.209 1.00 1.06 H new ATOM 843 N THR A 55 2.932 1.442 5.698 1.00 1.21 N ATOM 844 CA THR A 55 4.297 1.490 6.207 1.00 1.38 C ATOM 845 C THR A 55 4.589 2.792 6.958 1.00 1.40 C ATOM 846 O THR A 55 5.709 3.022 7.406 1.00 1.55 O ATOM 847 CB THR A 55 5.306 1.309 5.051 1.00 1.60 C ATOM 848 OG1 THR A 55 4.754 0.408 4.076 1.00 1.81 O ATOM 849 CG2 THR A 55 6.631 0.750 5.551 1.00 1.77 C ATOM 0 H THR A 55 2.579 2.325 5.329 1.00 1.21 H new ATOM 0 HA THR A 55 4.406 0.670 6.917 1.00 1.38 H new ATOM 0 HB THR A 55 5.492 2.287 4.607 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.814 -0.512 4.409 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.317 0.635 4.712 1.00 1.77 H new ATOM 0 HG22 THR A 55 7.062 1.434 6.282 1.00 1.77 H new ATOM 0 HG23 THR A 55 6.463 -0.221 6.018 1.00 1.77 H new ATOM 857 N GLY A 56 3.577 3.630 7.115 1.00 1.30 N ATOM 858 CA GLY A 56 3.764 4.889 7.813 1.00 1.34 C ATOM 859 C GLY A 56 4.444 5.922 6.943 1.00 1.42 C ATOM 860 O GLY A 56 5.280 6.694 7.411 1.00 1.55 O ATOM 0 H GLY A 56 2.630 3.464 6.773 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.796 5.270 8.140 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.360 4.721 8.710 1.00 1.34 H new ATOM 864 N VAL A 57 4.078 5.938 5.672 1.00 1.37 N ATOM 865 CA VAL A 57 4.660 6.866 4.716 1.00 1.46 C ATOM 866 C VAL A 57 3.751 8.072 4.525 1.00 1.37 C ATOM 867 O VAL A 57 2.572 7.913 4.228 1.00 1.26 O ATOM 868 CB VAL A 57 4.879 6.193 3.346 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.853 6.999 2.502 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.377 4.768 3.524 1.00 1.63 C ATOM 0 H VAL A 57 3.375 5.314 5.276 1.00 1.37 H new ATOM 0 HA VAL A 57 5.622 7.184 5.117 1.00 1.46 H new ATOM 0 HB VAL A 57 3.922 6.159 2.825 1.00 1.55 H new ATOM 0 HG11 VAL A 57 5.994 6.507 1.540 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.454 8.001 2.343 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.811 7.068 3.018 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.526 4.310 2.546 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.322 4.778 4.067 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.641 4.193 4.086 1.00 1.63 H new ATOM 880 N PRO A 58 4.276 9.291 4.721 1.00 1.45 N ATOM 881 CA PRO A 58 3.491 10.513 4.547 1.00 1.41 C ATOM 882 C PRO A 58 3.040 10.705 3.097 1.00 1.35 C ATOM 883 O PRO A 58 3.710 10.256 2.161 1.00 1.39 O ATOM 884 CB PRO A 58 4.449 11.632 4.970 1.00 1.56 C ATOM 885 CG PRO A 58 5.816 11.042 4.896 1.00 1.67 C ATOM 886 CD PRO A 58 5.660 9.570 5.145 1.00 1.63 C ATOM 0 HA PRO A 58 2.572 10.492 5.133 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.359 12.495 4.310 1.00 1.56 H new ATOM 0 HB3 PRO A 58 4.226 11.978 5.979 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.265 11.225 3.920 1.00 1.67 H new ATOM 0 HG3 PRO A 58 6.474 11.493 5.639 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.380 8.988 4.570 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.815 9.322 6.195 1.00 1.63 H new ATOM 894 N LEU A 59 1.900 11.366 2.916 1.00 1.29 N ATOM 895 CA LEU A 59 1.350 11.609 1.583 1.00 1.26 C ATOM 896 C LEU A 59 2.337 12.344 0.662 1.00 1.34 C ATOM 897 O LEU A 59 2.583 11.879 -0.451 1.00 1.35 O ATOM 898 CB LEU A 59 0.015 12.365 1.662 1.00 1.25 C ATOM 899 CG LEU A 59 -1.113 11.634 2.394 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.399 12.438 2.315 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.321 10.241 1.815 1.00 1.54 C ATOM 0 H LEU A 59 1.337 11.745 3.677 1.00 1.29 H new ATOM 0 HA LEU A 59 1.168 10.630 1.140 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.187 13.320 2.158 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.317 12.587 0.648 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.830 11.528 3.441 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.193 11.907 2.840 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.247 13.413 2.778 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.681 12.572 1.271 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.128 9.741 2.351 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.582 10.321 0.760 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.403 9.663 1.919 1.00 1.54 H new ATOM 913 N PRO A 60 2.936 13.484 1.088 1.00 1.42 N ATOM 914 CA PRO A 60 3.886 14.228 0.254 1.00 1.52 C ATOM 915 C PRO A 60 5.259 13.553 0.205 1.00 1.60 C ATOM 916 O PRO A 60 6.291 14.188 0.430 1.00 1.79 O ATOM 917 CB PRO A 60 3.982 15.605 0.935 1.00 1.61 C ATOM 918 CG PRO A 60 2.958 15.592 2.023 1.00 1.56 C ATOM 919 CD PRO A 60 2.754 14.154 2.382 1.00 1.46 C ATOM 0 HA PRO A 60 3.556 14.285 -0.783 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.980 15.773 1.339 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.787 16.408 0.224 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.298 16.165 2.886 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.026 16.046 1.687 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.477 13.813 3.123 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.763 13.975 2.798 1.00 1.46 H new ATOM 927 N PHE A 61 5.253 12.264 -0.093 1.00 1.55 N ATOM 928 CA PHE A 61 6.469 11.474 -0.182 1.00 1.63 C ATOM 929 C PHE A 61 6.241 10.297 -1.121 1.00 1.59 C ATOM 930 O PHE A 61 7.096 9.953 -1.939 1.00 1.70 O ATOM 931 CB PHE A 61 6.878 10.968 1.201 1.00 1.66 C ATOM 932 CG PHE A 61 8.317 11.237 1.542 1.00 1.80 C ATOM 933 CD1 PHE A 61 9.313 10.357 1.155 1.00 2.00 C ATOM 934 CD2 PHE A 61 8.671 12.373 2.252 1.00 1.95 C ATOM 935 CE1 PHE A 61 10.638 10.603 1.469 1.00 2.25 C ATOM 936 CE2 PHE A 61 9.994 12.625 2.570 1.00 2.23 C ATOM 937 CZ PHE A 61 10.978 11.739 2.178 1.00 2.34 C ATOM 0 H PHE A 61 4.401 11.735 -0.281 1.00 1.55 H new ATOM 0 HA PHE A 61 7.272 12.099 -0.572 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.242 11.437 1.952 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.696 9.895 1.254 1.00 1.66 H new ATOM 0 HD1 PHE A 61 9.053 9.467 0.601 1.00 2.00 H new ATOM 0 HD2 PHE A 61 7.906 13.070 2.561 1.00 1.95 H new ATOM 0 HE1 PHE A 61 11.405 9.908 1.160 1.00 2.25 H new ATOM 0 HE2 PHE A 61 10.257 13.514 3.124 1.00 2.23 H new ATOM 0 HZ PHE A 61 12.011 11.934 2.425 1.00 2.34 H new ATOM 947 N GLN A 62 5.074 9.685 -0.992 1.00 1.47 N ATOM 948 CA GLN A 62 4.702 8.557 -1.827 1.00 1.44 C ATOM 949 C GLN A 62 3.828 9.031 -2.983 1.00 1.40 C ATOM 950 O GLN A 62 3.467 10.207 -3.055 1.00 1.55 O ATOM 951 CB GLN A 62 3.962 7.507 -0.996 1.00 1.38 C ATOM 952 CG GLN A 62 2.635 7.994 -0.441 1.00 1.35 C ATOM 953 CD GLN A 62 2.177 7.194 0.760 1.00 1.64 C ATOM 954 OE1 GLN A 62 1.412 7.824 1.632 1.00 2.14 O flip ATOM 955 NE2 GLN A 62 2.509 6.019 0.898 1.00 1.66 N flip ATOM 0 H GLN A 62 4.364 9.955 -0.311 1.00 1.47 H new ATOM 0 HA GLN A 62 5.606 8.104 -2.234 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.787 6.626 -1.613 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.600 7.195 -0.169 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.726 9.043 -0.161 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.876 7.937 -1.221 1.00 1.35 H new ATOM 0 HE21 GLN A 62 3.102 5.571 0.199 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.192 5.492 1.711 1.00 1.66 H new ATOM 964 N LYS A 63 3.495 8.126 -3.889 1.00 1.42 N ATOM 965 CA LYS A 63 2.660 8.469 -5.027 1.00 1.38 C ATOM 966 C LYS A 63 1.820 7.273 -5.458 1.00 1.27 C ATOM 967 O LYS A 63 2.292 6.407 -6.192 1.00 1.31 O ATOM 968 CB LYS A 63 3.518 8.958 -6.195 1.00 1.51 C ATOM 969 CG LYS A 63 2.775 9.897 -7.134 1.00 1.64 C ATOM 970 CD LYS A 63 3.674 10.404 -8.246 1.00 1.73 C ATOM 971 CE LYS A 63 3.030 11.563 -8.992 1.00 1.94 C ATOM 972 NZ LYS A 63 2.935 12.783 -8.148 1.00 2.29 N ATOM 0 H LYS A 63 3.790 7.150 -3.858 1.00 1.42 H new ATOM 0 HA LYS A 63 1.989 9.274 -4.725 1.00 1.38 H new ATOM 0 HB2 LYS A 63 4.397 9.468 -5.802 1.00 1.51 H new ATOM 0 HB3 LYS A 63 3.875 8.097 -6.760 1.00 1.51 H new ATOM 0 HG2 LYS A 63 1.919 9.378 -7.566 1.00 1.64 H new ATOM 0 HG3 LYS A 63 2.383 10.742 -6.569 1.00 1.64 H new ATOM 0 HD2 LYS A 63 4.629 10.723 -7.828 1.00 1.73 H new ATOM 0 HD3 LYS A 63 3.887 9.593 -8.943 1.00 1.73 H new ATOM 0 HE2 LYS A 63 3.611 11.786 -9.887 1.00 1.94 H new ATOM 0 HE3 LYS A 63 2.033 11.272 -9.323 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 2.801 13.616 -8.756 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 2.127 12.694 -7.499 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 3.810 12.893 -7.598 1.00 2.29 H new ATOM 986 N LEU A 64 0.586 7.226 -4.975 1.00 1.16 N ATOM 987 CA LEU A 64 -0.336 6.142 -5.298 1.00 1.06 C ATOM 988 C LEU A 64 -0.775 6.222 -6.757 1.00 1.05 C ATOM 989 O LEU A 64 -1.350 7.221 -7.192 1.00 1.06 O ATOM 990 CB LEU A 64 -1.562 6.202 -4.367 1.00 0.98 C ATOM 991 CG LEU A 64 -2.542 5.013 -4.425 1.00 0.91 C ATOM 992 CD1 LEU A 64 -3.679 5.294 -5.400 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.826 3.727 -4.804 1.00 1.06 C ATOM 0 H LEU A 64 0.196 7.933 -4.352 1.00 1.16 H new ATOM 0 HA LEU A 64 0.178 5.192 -5.149 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -1.205 6.297 -3.342 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -2.118 7.111 -4.597 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.964 4.885 -3.428 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -4.357 4.441 -5.424 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -4.223 6.182 -5.078 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -3.271 5.461 -6.397 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -2.543 2.907 -4.837 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -1.363 3.843 -5.784 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -1.057 3.507 -4.064 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.473 5.170 -7.507 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.850 5.085 -8.907 1.00 1.08 C ATOM 1007 C ILE A 65 -1.532 3.745 -9.171 1.00 1.05 C ATOM 1008 O ILE A 65 -0.980 2.865 -9.834 1.00 1.15 O ATOM 1009 CB ILE A 65 0.365 5.244 -9.850 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.245 6.414 -9.397 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.106 5.457 -11.283 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.450 6.653 -10.278 1.00 1.42 C ATOM 0 H ILE A 65 0.037 4.357 -7.162 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.536 5.906 -9.115 1.00 1.08 H new ATOM 0 HB ILE A 65 0.959 4.331 -9.810 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.641 7.321 -9.371 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.584 6.227 -8.378 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.759 5.568 -11.938 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.696 4.598 -11.603 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.718 6.358 -11.335 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.022 7.497 -9.892 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.078 5.762 -10.285 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.120 6.873 -11.293 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.724 3.586 -8.614 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.502 2.364 -8.765 1.00 0.91 C ATOM 1026 C PHE A 66 -4.961 2.656 -8.449 1.00 0.84 C ATOM 1027 O PHE A 66 -5.305 3.792 -8.124 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.972 1.261 -7.844 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.556 0.007 -8.565 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.365 -0.555 -9.540 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.354 -0.609 -8.264 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.984 -1.709 -10.197 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.966 -1.762 -8.916 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.779 -2.311 -9.887 1.00 1.16 C ATOM 0 H PHE A 66 -3.179 4.300 -8.045 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.413 2.014 -9.793 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -2.119 1.647 -7.286 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.742 1.010 -7.115 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -4.305 -0.085 -9.789 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.711 -0.182 -7.509 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.626 -2.140 -10.951 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.027 -2.234 -8.667 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.474 -3.209 -10.404 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.811 1.635 -8.558 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.247 1.770 -8.298 1.00 0.89 C ATOM 1046 C LYS A 67 -7.889 2.732 -9.297 1.00 0.84 C ATOM 1047 O LYS A 67 -9.039 3.137 -9.127 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.519 2.254 -6.862 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.401 1.169 -5.800 1.00 0.69 C ATOM 1050 CD LYS A 67 -8.060 1.593 -4.494 1.00 0.72 C ATOM 1051 CE LYS A 67 -8.090 0.450 -3.489 1.00 0.72 C ATOM 1052 NZ LYS A 67 -9.089 0.670 -2.407 1.00 0.54 N ATOM 0 H LYS A 67 -5.526 0.693 -8.828 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.691 0.782 -8.416 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.821 3.056 -6.624 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.521 2.680 -6.819 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.865 0.252 -6.162 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.349 0.945 -5.622 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.519 2.438 -4.069 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -9.077 1.932 -4.691 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -8.320 -0.480 -4.008 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.100 0.332 -3.047 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -9.107 -0.158 -1.778 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.828 1.515 -1.860 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -10.031 0.806 -2.827 1.00 0.54 H new ATOM 1066 N GLY A 68 -7.146 3.076 -10.347 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.643 3.998 -11.349 1.00 0.93 C ATOM 1068 C GLY A 68 -7.742 5.409 -10.805 1.00 0.94 C ATOM 1069 O GLY A 68 -8.693 6.132 -11.105 1.00 1.05 O ATOM 0 H GLY A 68 -6.203 2.729 -10.520 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.982 3.987 -12.215 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.624 3.670 -11.692 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.779 5.789 -9.973 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.763 7.114 -9.363 1.00 0.93 C ATOM 1075 C LYS A 69 -5.389 7.417 -8.775 1.00 0.96 C ATOM 1076 O LYS A 69 -4.454 6.629 -8.926 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.839 7.205 -8.270 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.099 5.880 -7.563 1.00 1.07 C ATOM 1079 CD LYS A 69 -9.454 5.847 -6.869 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.609 6.123 -7.825 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.510 5.353 -9.094 1.00 1.50 N ATOM 0 H LYS A 69 -5.995 5.195 -9.704 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.979 7.853 -10.134 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -7.535 7.948 -7.533 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -8.769 7.559 -8.715 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.046 5.068 -8.288 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.313 5.703 -6.828 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.597 4.871 -6.405 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -9.466 6.586 -6.068 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -11.549 5.878 -7.330 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -10.637 7.188 -8.054 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.464 5.175 -9.467 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -9.962 5.899 -9.789 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -10.034 4.446 -8.913 1.00 1.50 H new ATOM 1095 N SER A 70 -5.277 8.554 -8.104 1.00 0.95 N ATOM 1096 CA SER A 70 -4.026 8.969 -7.495 1.00 1.00 C ATOM 1097 C SER A 70 -4.214 9.145 -5.992 1.00 0.93 C ATOM 1098 O SER A 70 -5.323 8.987 -5.484 1.00 0.89 O ATOM 1099 CB SER A 70 -3.547 10.279 -8.126 1.00 1.17 C ATOM 1100 OG SER A 70 -2.173 10.515 -7.850 1.00 1.46 O ATOM 0 H SER A 70 -6.046 9.210 -7.968 1.00 0.95 H new ATOM 0 HA SER A 70 -3.272 8.201 -7.668 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.702 10.243 -9.204 1.00 1.17 H new ATOM 0 HB3 SER A 70 -4.144 11.108 -7.745 1.00 1.17 H new ATOM 0 HG SER A 70 -1.896 11.357 -8.267 1.00 1.46 H new ATOM 1106 N LEU A 71 -3.138 9.476 -5.285 1.00 1.01 N ATOM 1107 CA LEU A 71 -3.206 9.673 -3.842 1.00 0.99 C ATOM 1108 C LEU A 71 -3.699 11.079 -3.524 1.00 1.00 C ATOM 1109 O LEU A 71 -3.221 12.059 -4.100 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.842 9.422 -3.179 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.820 10.557 -3.292 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.250 10.411 -2.226 1.00 1.35 C ATOM 1113 CD2 LEU A 71 -0.191 10.577 -4.675 1.00 1.28 C ATOM 0 H LEU A 71 -2.211 9.613 -5.687 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.913 8.949 -3.437 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -2.007 9.213 -2.122 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -1.407 8.524 -3.617 1.00 1.11 H new ATOM 0 HG LEU A 71 -1.339 11.503 -3.138 1.00 1.24 H new ATOM 0 HD11 LEU A 71 0.969 11.225 -2.319 1.00 1.35 H new ATOM 0 HD12 LEU A 71 -0.212 10.446 -1.239 1.00 1.35 H new ATOM 0 HD13 LEU A 71 0.762 9.457 -2.353 1.00 1.35 H new ATOM 0 HD21 LEU A 71 0.532 11.391 -4.734 1.00 1.28 H new ATOM 0 HD22 LEU A 71 0.314 9.629 -4.859 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.967 10.726 -5.426 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.661 11.164 -2.620 1.00 0.95 N ATOM 1126 CA LYS A 72 -5.235 12.437 -2.216 1.00 0.99 C ATOM 1127 C LYS A 72 -6.205 12.215 -1.065 1.00 0.95 C ATOM 1128 O LYS A 72 -6.673 11.095 -0.855 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.969 13.084 -3.397 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.538 14.512 -3.684 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.740 14.860 -5.149 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.646 14.264 -6.023 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.118 14.023 -7.414 1.00 1.90 N ATOM 0 H LYS A 72 -5.065 10.356 -2.147 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.435 13.103 -1.893 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.805 12.479 -4.289 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -7.040 13.072 -3.197 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -6.110 15.200 -3.061 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.489 14.639 -3.418 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.711 14.493 -5.480 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.751 15.943 -5.268 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -3.789 14.937 -6.042 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.304 13.325 -5.588 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -4.366 14.278 -8.085 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -5.359 13.018 -7.530 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -5.960 14.604 -7.600 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.487 13.270 -0.312 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.426 13.186 0.801 1.00 1.01 C ATOM 1149 C GLU A 73 -8.840 12.993 0.260 1.00 0.98 C ATOM 1150 O GLU A 73 -9.749 12.554 0.968 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.358 14.451 1.669 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.949 14.820 2.118 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.231 15.707 1.124 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.639 15.175 0.165 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -5.259 16.941 1.291 1.00 1.98 O ATOM 0 H GLU A 73 -6.079 14.195 -0.451 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.157 12.334 1.425 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.780 15.286 1.110 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.983 14.309 2.550 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.001 15.328 3.081 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.370 13.909 2.269 1.00 1.33 H new ATOM 1162 N MET A 74 -9.001 13.339 -1.008 1.00 1.01 N ATOM 1163 CA MET A 74 -10.264 13.210 -1.713 1.00 1.03 C ATOM 1164 C MET A 74 -9.982 13.166 -3.206 1.00 1.05 C ATOM 1165 O MET A 74 -9.361 14.078 -3.750 1.00 1.16 O ATOM 1166 CB MET A 74 -11.210 14.371 -1.368 1.00 1.15 C ATOM 1167 CG MET A 74 -10.618 15.755 -1.600 1.00 1.26 C ATOM 1168 SD MET A 74 -11.705 17.079 -1.035 1.00 1.65 S ATOM 1169 CE MET A 74 -10.809 18.514 -1.624 1.00 1.77 C ATOM 0 H MET A 74 -8.249 13.721 -1.582 1.00 1.01 H new ATOM 0 HA MET A 74 -10.760 12.290 -1.406 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.118 14.273 -1.963 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.504 14.286 -0.322 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.662 15.829 -1.081 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.415 15.886 -2.663 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.353 19.419 -1.353 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.818 18.536 -1.170 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.710 18.461 -2.708 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.391 12.094 -3.866 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.144 11.963 -5.289 1.00 1.14 C ATOM 1181 C GLU A 75 -11.436 11.718 -6.069 1.00 1.13 C ATOM 1182 O GLU A 75 -12.071 12.663 -6.535 1.00 1.31 O ATOM 1183 CB GLU A 75 -9.128 10.847 -5.553 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.576 10.838 -6.973 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.640 11.996 -7.249 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.104 13.156 -7.275 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.434 11.753 -7.452 1.00 1.89 O ATOM 0 H GLU A 75 -10.890 11.311 -3.443 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.728 12.906 -5.642 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -8.299 10.950 -4.852 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -9.599 9.885 -5.351 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -8.047 9.901 -7.146 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.405 10.871 -7.680 1.00 1.28 H new ATOM 1194 N THR A 76 -11.826 10.456 -6.200 1.00 1.06 N ATOM 1195 CA THR A 76 -13.022 10.096 -6.956 1.00 1.09 C ATOM 1196 C THR A 76 -14.018 9.302 -6.094 1.00 1.04 C ATOM 1197 O THR A 76 -13.669 8.857 -5.000 1.00 0.98 O ATOM 1198 CB THR A 76 -12.615 9.278 -8.197 1.00 1.13 C ATOM 1199 OG1 THR A 76 -11.227 8.939 -8.103 1.00 1.07 O ATOM 1200 CG2 THR A 76 -12.843 10.063 -9.481 1.00 1.29 C ATOM 0 H THR A 76 -11.331 9.663 -5.792 1.00 1.06 H new ATOM 0 HA THR A 76 -13.521 11.013 -7.269 1.00 1.09 H new ATOM 0 HB THR A 76 -13.231 8.379 -8.227 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.839 8.898 -9.002 1.00 1.07 H new ATOM 0 HG21 THR A 76 -12.545 9.456 -10.336 1.00 1.29 H new ATOM 0 HG22 THR A 76 -13.899 10.320 -9.568 1.00 1.29 H new ATOM 0 HG23 THR A 76 -12.248 10.976 -9.460 1.00 1.29 H new ATOM 1208 N PRO A 77 -15.278 9.148 -6.574 1.00 1.12 N ATOM 1209 CA PRO A 77 -16.354 8.423 -5.865 1.00 1.14 C ATOM 1210 C PRO A 77 -15.936 7.090 -5.235 1.00 1.01 C ATOM 1211 O PRO A 77 -15.044 6.398 -5.732 1.00 0.94 O ATOM 1212 CB PRO A 77 -17.375 8.176 -6.967 1.00 1.26 C ATOM 1213 CG PRO A 77 -17.233 9.351 -7.864 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.772 9.705 -7.853 1.00 1.24 C ATOM 0 HA PRO A 77 -16.708 9.005 -5.014 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -17.173 7.244 -7.496 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -18.385 8.102 -6.565 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -17.570 9.115 -8.873 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.840 10.186 -7.513 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -15.250 9.271 -8.706 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -15.622 10.784 -7.903 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.641 6.728 -4.163 1.00 1.03 N ATOM 1223 CA LEU A 78 -16.384 5.497 -3.407 1.00 0.97 C ATOM 1224 C LEU A 78 -16.487 4.248 -4.285 1.00 0.95 C ATOM 1225 O LEU A 78 -15.705 3.311 -4.141 1.00 0.87 O ATOM 1226 CB LEU A 78 -17.381 5.369 -2.247 1.00 1.07 C ATOM 1227 CG LEU A 78 -17.716 6.667 -1.507 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -18.898 6.453 -0.575 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.515 7.160 -0.723 1.00 1.22 C ATOM 0 H LEU A 78 -17.412 7.283 -3.791 1.00 1.03 H new ATOM 0 HA LEU A 78 -15.365 5.566 -3.026 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -18.307 4.945 -2.635 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.981 4.656 -1.527 1.00 1.07 H new ATOM 0 HG LEU A 78 -17.982 7.424 -2.245 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -19.125 7.384 -0.056 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -19.766 6.140 -1.155 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.651 5.681 0.154 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.773 8.083 -0.204 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -16.221 6.404 0.006 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -15.686 7.347 -1.406 1.00 1.22 H new ATOM 1241 N SER A 79 -17.449 4.243 -5.200 1.00 1.07 N ATOM 1242 CA SER A 79 -17.667 3.103 -6.088 1.00 1.12 C ATOM 1243 C SER A 79 -16.477 2.875 -7.024 1.00 1.00 C ATOM 1244 O SER A 79 -16.354 1.815 -7.638 1.00 1.04 O ATOM 1245 CB SER A 79 -18.946 3.325 -6.893 1.00 1.31 C ATOM 1246 OG SER A 79 -19.951 3.908 -6.078 1.00 1.68 O ATOM 0 H SER A 79 -18.094 5.019 -5.348 1.00 1.07 H new ATOM 0 HA SER A 79 -17.770 2.207 -5.476 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.739 3.973 -7.745 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.300 2.375 -7.294 1.00 1.31 H new ATOM 0 HG SER A 79 -20.309 3.232 -5.466 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.598 3.866 -7.118 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.424 3.770 -7.973 1.00 0.88 C ATOM 1254 C ALA A 80 -13.178 3.501 -7.137 1.00 0.74 C ATOM 1255 O ALA A 80 -12.069 3.405 -7.664 1.00 0.81 O ATOM 1256 CB ALA A 80 -14.256 5.043 -8.786 1.00 1.02 C ATOM 0 H ALA A 80 -15.678 4.747 -6.610 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.563 2.937 -8.662 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -13.374 4.956 -9.420 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -15.137 5.196 -9.409 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -14.136 5.892 -8.113 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.370 3.364 -5.829 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.262 3.113 -4.908 1.00 0.55 C ATOM 1264 C LEU A 81 -11.910 1.628 -4.855 1.00 0.52 C ATOM 1265 O LEU A 81 -11.266 1.167 -3.911 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.621 3.607 -3.503 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.822 4.812 -3.005 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.347 4.465 -2.889 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.020 6.009 -3.921 1.00 0.75 C ATOM 0 H LEU A 81 -14.284 3.422 -5.380 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.393 3.659 -5.276 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.680 3.863 -3.487 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.481 2.785 -2.801 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.191 5.078 -2.015 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.795 5.335 -2.533 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.221 3.643 -2.185 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.965 4.168 -3.866 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.442 6.854 -3.546 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.684 5.757 -4.927 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.076 6.276 -3.948 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.321 0.891 -5.876 1.00 0.59 N ATOM 1282 CA GLY A 82 -12.046 -0.530 -5.926 1.00 0.62 C ATOM 1283 C GLY A 82 -12.914 -1.302 -4.958 1.00 0.63 C ATOM 1284 O GLY A 82 -12.438 -1.756 -3.916 1.00 0.64 O ATOM 0 H GLY A 82 -12.842 1.254 -6.674 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -12.214 -0.898 -6.938 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.996 -0.706 -5.693 1.00 0.62 H new ATOM 1288 N MET A 83 -14.188 -1.443 -5.304 1.00 0.84 N ATOM 1289 CA MET A 83 -15.150 -2.157 -4.466 1.00 1.01 C ATOM 1290 C MET A 83 -14.945 -3.670 -4.562 1.00 0.98 C ATOM 1291 O MET A 83 -15.811 -4.410 -5.033 1.00 1.26 O ATOM 1292 CB MET A 83 -16.589 -1.777 -4.851 1.00 1.34 C ATOM 1293 CG MET A 83 -16.894 -1.926 -6.335 1.00 1.54 C ATOM 1294 SD MET A 83 -18.550 -1.360 -6.770 1.00 2.03 S ATOM 1295 CE MET A 83 -18.611 -1.798 -8.507 1.00 2.27 C ATOM 0 H MET A 83 -14.584 -1.069 -6.167 1.00 0.84 H new ATOM 0 HA MET A 83 -14.982 -1.861 -3.431 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.282 -2.399 -4.284 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.772 -0.744 -4.555 1.00 1.34 H new ATOM 0 HG2 MET A 83 -16.160 -1.362 -6.910 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.786 -2.973 -6.620 1.00 1.54 H new ATOM 0 HE1 MET A 83 -19.577 -1.510 -8.921 1.00 2.27 H new ATOM 0 HE2 MET A 83 -17.817 -1.276 -9.042 1.00 2.27 H new ATOM 0 HE3 MET A 83 -18.475 -2.874 -8.616 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.789 -4.116 -4.109 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.435 -5.522 -4.131 1.00 0.89 C ATOM 1307 C GLN A 84 -12.673 -5.872 -2.861 1.00 0.84 C ATOM 1308 O GLN A 84 -12.675 -5.098 -1.906 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.599 -5.841 -5.375 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.276 -5.093 -5.442 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.665 -5.096 -6.831 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.447 -5.168 -6.986 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.503 -4.988 -7.849 1.00 1.38 N ATOM 0 H GLN A 84 -13.068 -3.512 -3.715 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.343 -6.124 -4.174 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.400 -6.912 -5.401 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.184 -5.604 -6.264 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.430 -4.063 -5.121 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.574 -5.544 -4.741 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -12.507 -4.931 -7.679 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -11.145 -4.962 -8.804 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.011 -7.018 -2.851 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.262 -7.451 -1.682 1.00 0.78 C ATOM 1324 C ASN A 85 -9.941 -6.699 -1.536 1.00 0.72 C ATOM 1325 O ASN A 85 -8.869 -7.239 -1.805 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.008 -8.965 -1.710 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.412 -9.465 -3.014 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -10.947 -9.221 -4.092 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.300 -10.175 -2.919 1.00 1.09 N ATOM 0 H ASN A 85 -11.977 -7.665 -3.639 1.00 0.74 H new ATOM 0 HA ASN A 85 -11.878 -7.217 -0.814 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.337 -9.226 -0.892 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -11.949 -9.485 -1.529 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.856 -10.542 -3.761 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -8.887 -10.356 -2.004 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.030 -5.440 -1.134 1.00 0.62 N ATOM 1337 CA GLY A 86 -8.844 -4.638 -0.914 1.00 0.57 C ATOM 1338 C GLY A 86 -8.307 -3.980 -2.164 1.00 0.51 C ATOM 1339 O GLY A 86 -8.022 -2.780 -2.151 1.00 0.49 O ATOM 0 H GLY A 86 -10.910 -4.956 -0.955 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.071 -3.866 -0.178 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.066 -5.269 -0.485 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.169 -4.773 -3.227 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.644 -4.306 -4.511 1.00 0.62 C ATOM 1345 C CYS A 87 -6.115 -4.272 -4.468 1.00 0.65 C ATOM 1346 O CYS A 87 -5.492 -4.957 -3.654 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.208 -2.926 -4.881 1.00 0.62 C ATOM 1348 SG CYS A 87 -8.148 -2.530 -6.643 1.00 0.79 S ATOM 0 H CYS A 87 -8.419 -5.762 -3.222 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.962 -5.006 -5.284 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.244 -2.871 -4.546 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.654 -2.164 -4.333 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.706 -3.488 -7.322 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.511 -3.488 -5.353 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.060 -3.377 -5.422 1.00 0.77 C ATOM 1356 C ARG A 88 -3.650 -1.910 -5.437 1.00 0.75 C ATOM 1357 O ARG A 88 -4.319 -1.087 -6.062 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.523 -4.072 -6.682 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.910 -5.542 -6.806 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.250 -5.720 -7.510 1.00 1.11 C ATOM 1361 NE ARG A 88 -5.215 -5.243 -8.893 1.00 1.27 N ATOM 1362 CZ ARG A 88 -6.278 -4.789 -9.560 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -7.480 -4.787 -8.996 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -6.145 -4.373 -10.811 1.00 1.74 N ATOM 0 H ARG A 88 -6.008 -2.917 -6.037 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.637 -3.864 -4.544 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.887 -3.538 -7.560 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.436 -3.993 -6.690 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -3.136 -6.076 -7.358 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.959 -5.989 -5.813 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.528 -6.774 -7.498 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -6.022 -5.181 -6.961 1.00 1.11 H new ATOM 0 HE ARG A 88 -4.319 -5.259 -9.379 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.597 -5.135 -8.044 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -8.286 -4.438 -9.514 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -5.231 -4.400 -11.263 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -6.957 -4.026 -11.322 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.565 -1.583 -4.740 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.065 -0.212 -4.694 1.00 0.79 C ATOM 1380 C VAL A 89 -0.544 -0.200 -4.770 1.00 0.92 C ATOM 1381 O VAL A 89 0.127 -1.057 -4.196 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.519 0.553 -3.421 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -4.012 0.844 -3.460 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.155 -0.210 -2.160 1.00 0.69 C ATOM 0 H VAL A 89 -2.015 -2.250 -4.199 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.490 0.301 -5.557 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.987 1.504 -3.404 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.302 1.380 -2.556 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.241 1.454 -4.333 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.564 -0.094 -3.518 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.486 0.352 -1.287 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.643 -1.185 -2.171 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.074 -0.346 -2.116 1.00 0.69 H new ATOM 1394 N MET A 90 -0.003 0.758 -5.503 1.00 0.97 N ATOM 1395 CA MET A 90 1.437 0.884 -5.651 1.00 1.10 C ATOM 1396 C MET A 90 1.832 2.348 -5.599 1.00 1.14 C ATOM 1397 O MET A 90 1.078 3.219 -6.045 1.00 1.13 O ATOM 1398 CB MET A 90 1.916 0.255 -6.966 1.00 1.21 C ATOM 1399 CG MET A 90 1.748 1.151 -8.186 1.00 1.49 C ATOM 1400 SD MET A 90 2.697 0.572 -9.605 1.00 1.66 S ATOM 1401 CE MET A 90 2.374 1.881 -10.782 1.00 2.09 C ATOM 0 H MET A 90 -0.542 1.463 -6.007 1.00 0.97 H new ATOM 0 HA MET A 90 1.914 0.350 -4.829 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.969 -0.010 -6.866 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.368 -0.672 -7.132 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.693 1.200 -8.454 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.060 2.165 -7.934 1.00 1.49 H new ATOM 0 HE1 MET A 90 2.895 1.667 -11.716 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.302 1.945 -10.970 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.728 2.829 -10.378 1.00 2.09 H new ATOM 1411 N LEU A 91 2.998 2.620 -5.047 1.00 1.21 N ATOM 1412 CA LEU A 91 3.477 3.983 -4.956 1.00 1.27 C ATOM 1413 C LEU A 91 4.900 4.091 -5.474 1.00 1.41 C ATOM 1414 O LEU A 91 5.735 3.213 -5.241 1.00 1.47 O ATOM 1415 CB LEU A 91 3.336 4.550 -3.518 1.00 1.22 C ATOM 1416 CG LEU A 91 4.259 4.006 -2.395 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.328 2.489 -2.391 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.656 4.608 -2.472 1.00 1.42 C ATOM 0 H LEU A 91 3.628 1.919 -4.657 1.00 1.21 H new ATOM 0 HA LEU A 91 2.846 4.601 -5.595 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.488 5.628 -3.574 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.305 4.390 -3.202 1.00 1.22 H new ATOM 0 HG LEU A 91 3.809 4.316 -1.452 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.986 2.157 -1.588 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.330 2.080 -2.235 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.718 2.140 -3.347 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.272 4.202 -1.669 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.106 4.362 -3.434 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.592 5.691 -2.368 1.00 1.42 H new ATOM 1430 N ILE A 92 5.158 5.154 -6.216 1.00 1.50 N ATOM 1431 CA ILE A 92 6.479 5.393 -6.760 1.00 1.65 C ATOM 1432 C ILE A 92 7.169 6.486 -5.960 1.00 1.71 C ATOM 1433 O ILE A 92 6.716 7.632 -5.930 1.00 1.89 O ATOM 1434 CB ILE A 92 6.425 5.786 -8.254 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.686 4.710 -9.061 1.00 1.66 C ATOM 1436 CG2 ILE A 92 7.834 5.988 -8.791 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.664 4.968 -10.554 1.00 1.79 C ATOM 0 H ILE A 92 4.467 5.865 -6.455 1.00 1.50 H new ATOM 0 HA ILE A 92 7.045 4.465 -6.686 1.00 1.65 H new ATOM 0 HB ILE A 92 5.878 6.724 -8.354 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.156 3.744 -8.876 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.660 4.639 -8.699 1.00 1.66 H new ATOM 0 HG21 ILE A 92 7.786 6.265 -9.844 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.327 6.782 -8.230 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.400 5.063 -8.684 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.124 4.164 -11.054 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.166 5.917 -10.752 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.686 5.008 -10.931 1.00 1.79 H new ATOM 1449 N GLY A 93 8.244 6.115 -5.290 1.00 1.73 N ATOM 1450 CA GLY A 93 8.980 7.059 -4.486 1.00 1.80 C ATOM 1451 C GLY A 93 9.704 6.372 -3.353 1.00 1.84 C ATOM 1452 O GLY A 93 10.239 5.277 -3.533 1.00 1.89 O ATOM 0 H GLY A 93 8.622 5.168 -5.290 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.699 7.589 -5.111 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.297 7.806 -4.083 1.00 1.80 H new ATOM 1456 N GLU A 94 9.694 6.985 -2.184 1.00 1.88 N ATOM 1457 CA GLU A 94 10.361 6.418 -1.024 1.00 1.97 C ATOM 1458 C GLU A 94 9.349 6.006 0.039 1.00 1.80 C ATOM 1459 O GLU A 94 8.150 6.246 -0.104 1.00 1.84 O ATOM 1460 CB GLU A 94 11.346 7.429 -0.439 1.00 2.22 C ATOM 1461 CG GLU A 94 12.804 7.029 -0.595 1.00 2.66 C ATOM 1462 CD GLU A 94 13.191 5.826 0.248 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.498 5.538 1.244 1.00 2.85 O ATOM 1464 OE2 GLU A 94 14.201 5.168 -0.080 1.00 3.03 O ATOM 0 H GLU A 94 9.231 7.877 -2.011 1.00 1.88 H new ATOM 0 HA GLU A 94 10.905 5.529 -1.345 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.191 8.394 -0.921 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.128 7.563 0.620 1.00 2.22 H new ATOM 0 HG2 GLU A 94 13.003 6.808 -1.644 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.436 7.874 -0.322 1.00 2.66 H new ATOM 1471 N LYS A 95 9.849 5.383 1.095 1.00 1.82 N ATOM 1472 CA LYS A 95 9.024 4.934 2.203 1.00 1.72 C ATOM 1473 C LYS A 95 9.694 5.307 3.517 1.00 1.77 C ATOM 1474 O LYS A 95 10.578 4.596 3.993 1.00 1.96 O ATOM 1475 CB LYS A 95 8.809 3.420 2.148 1.00 1.81 C ATOM 1476 CG LYS A 95 7.661 2.986 1.254 1.00 1.79 C ATOM 1477 CD LYS A 95 7.045 1.701 1.771 1.00 2.06 C ATOM 1478 CE LYS A 95 5.860 1.257 0.935 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.304 -0.024 1.434 1.00 2.38 N ATOM 0 H LYS A 95 10.841 5.175 1.207 1.00 1.82 H new ATOM 0 HA LYS A 95 8.052 5.421 2.130 1.00 1.72 H new ATOM 0 HB2 LYS A 95 9.726 2.947 1.798 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.627 3.053 3.158 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.905 3.770 1.216 1.00 1.79 H new ATOM 0 HG3 LYS A 95 8.020 2.840 0.235 1.00 1.79 H new ATOM 0 HD2 LYS A 95 7.800 0.914 1.775 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.726 1.843 2.804 1.00 2.06 H new ATOM 0 HE2 LYS A 95 5.087 2.025 0.957 1.00 2.15 H new ATOM 0 HE3 LYS A 95 6.167 1.143 -0.105 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.400 -0.219 0.958 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.974 -0.794 1.234 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.148 0.042 2.460 1.00 2.38 H new ATOM 1493 N SER A 96 9.281 6.430 4.087 1.00 1.80 N ATOM 1494 CA SER A 96 9.853 6.904 5.337 1.00 1.92 C ATOM 1495 C SER A 96 9.397 6.055 6.522 1.00 1.83 C ATOM 1496 O SER A 96 8.435 6.390 7.215 1.00 1.95 O ATOM 1497 CB SER A 96 9.481 8.369 5.556 1.00 2.15 C ATOM 1498 OG SER A 96 9.778 9.138 4.404 1.00 2.38 O ATOM 0 H SER A 96 8.551 7.030 3.702 1.00 1.80 H new ATOM 0 HA SER A 96 10.937 6.814 5.268 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.419 8.449 5.789 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.026 8.764 6.413 1.00 2.15 H new ATOM 0 HG SER A 96 9.532 10.073 4.563 1.00 2.38 H new ATOM 1504 N ASN A 97 10.101 4.961 6.755 1.00 1.89 N ATOM 1505 CA ASN A 97 9.788 4.068 7.857 1.00 1.93 C ATOM 1506 C ASN A 97 11.068 3.717 8.595 1.00 2.29 C ATOM 1507 O ASN A 97 12.150 4.069 8.082 1.00 2.53 O ATOM 1508 CB ASN A 97 9.103 2.799 7.341 1.00 1.89 C ATOM 1509 CG ASN A 97 8.546 1.928 8.456 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.955 2.554 9.461 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 8.633 0.699 8.401 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 10.995 3.103 9.681 1.00 2.61 O ATOM 0 H ASN A 97 10.899 4.668 6.191 1.00 1.89 H new ATOM 0 HA ASN A 97 9.102 4.567 8.541 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.293 3.079 6.667 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.818 2.219 6.757 1.00 1.89 H new ATOM 0 HD21 ASN A 97 9.097 0.256 7.608 1.00 1.96 H new ATOM 0 HD22 ASN A 97 8.241 0.126 9.148 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 23.678 5.284 6.421 1.00 5.24 N ATOM 1521 CA ARG B 185 22.566 5.951 5.704 1.00 5.09 C ATOM 1522 C ARG B 185 21.238 5.653 6.383 1.00 5.04 C ATOM 1523 O ARG B 185 21.155 4.767 7.233 1.00 4.90 O ATOM 1524 CB ARG B 185 22.514 5.503 4.238 1.00 4.43 C ATOM 1525 CG ARG B 185 22.405 4.001 4.053 1.00 4.00 C ATOM 1526 CD ARG B 185 21.594 3.640 2.813 1.00 3.44 C ATOM 1527 NE ARG B 185 22.223 4.106 1.578 1.00 3.76 N ATOM 1528 CZ ARG B 185 22.655 3.297 0.609 1.00 3.61 C ATOM 1529 NH1 ARG B 185 22.547 1.978 0.727 1.00 3.10 N ATOM 1530 NH2 ARG B 185 23.204 3.812 -0.480 1.00 4.24 N ATOM 0 HA ARG B 185 22.745 7.026 5.733 1.00 5.09 H new ATOM 0 HB2 ARG B 185 21.663 5.981 3.753 1.00 4.43 H new ATOM 0 HB3 ARG B 185 23.411 5.857 3.729 1.00 4.43 H new ATOM 0 HG2 ARG B 185 23.404 3.571 3.972 1.00 4.00 H new ATOM 0 HG3 ARG B 185 21.939 3.559 4.934 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.468 2.558 2.767 1.00 3.44 H new ATOM 0 HD3 ARG B 185 20.597 4.074 2.896 1.00 3.44 H new ATOM 0 HE ARG B 185 22.339 5.111 1.449 1.00 3.76 H new ATOM 0 HH11 ARG B 185 22.130 1.573 1.565 1.00 3.10 H new ATOM 0 HH12 ARG B 185 22.881 1.370 -0.021 1.00 3.10 H new ATOM 0 HH21 ARG B 185 23.295 4.823 -0.576 1.00 4.24 H new ATOM 0 HH22 ARG B 185 23.536 3.197 -1.223 1.00 4.24 H new ATOM 1546 N TYR B 186 20.205 6.396 6.013 1.00 5.30 N ATOM 1547 CA TYR B 186 18.881 6.205 6.591 1.00 5.40 C ATOM 1548 C TYR B 186 17.841 5.970 5.500 1.00 4.76 C ATOM 1549 O TYR B 186 17.011 6.830 5.215 1.00 4.97 O ATOM 1550 CB TYR B 186 18.483 7.409 7.455 1.00 6.21 C ATOM 1551 CG TYR B 186 19.089 8.723 7.006 1.00 6.50 C ATOM 1552 CD1 TYR B 186 18.602 9.395 5.889 1.00 6.39 C ATOM 1553 CD2 TYR B 186 20.152 9.292 7.699 1.00 7.04 C ATOM 1554 CE1 TYR B 186 19.154 10.593 5.482 1.00 6.82 C ATOM 1555 CE2 TYR B 186 20.706 10.488 7.296 1.00 7.46 C ATOM 1556 CZ TYR B 186 20.206 11.132 6.187 1.00 7.36 C ATOM 1557 OH TYR B 186 20.758 12.324 5.782 1.00 7.91 O ATOM 0 H TYR B 186 20.257 7.138 5.315 1.00 5.30 H new ATOM 0 HA TYR B 186 18.919 5.321 7.228 1.00 5.40 H new ATOM 0 HB2 TYR B 186 17.397 7.502 7.450 1.00 6.21 H new ATOM 0 HB3 TYR B 186 18.782 7.217 8.485 1.00 6.21 H new ATOM 0 HD1 TYR B 186 17.779 8.973 5.332 1.00 6.39 H new ATOM 0 HD2 TYR B 186 20.550 8.788 8.567 1.00 7.04 H new ATOM 0 HE1 TYR B 186 18.763 11.105 4.615 1.00 6.82 H new ATOM 0 HE2 TYR B 186 21.529 10.918 7.848 1.00 7.46 H new ATOM 0 HH TYR B 186 21.490 12.568 6.386 1.00 7.91 H new ATOM 1567 N HIS B 187 17.908 4.807 4.874 1.00 4.11 N ATOM 1568 CA HIS B 187 16.965 4.455 3.823 1.00 3.50 C ATOM 1569 C HIS B 187 16.526 3.012 3.984 1.00 2.93 C ATOM 1570 O HIS B 187 17.274 2.087 3.661 1.00 2.65 O ATOM 1571 CB HIS B 187 17.577 4.664 2.432 1.00 3.36 C ATOM 1572 CG HIS B 187 17.353 6.037 1.866 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.343 6.336 0.976 1.00 4.02 N ATOM 1574 CD2 HIS B 187 18.033 7.193 2.056 1.00 4.34 C ATOM 1575 CE1 HIS B 187 16.414 7.611 0.642 1.00 4.46 C ATOM 1576 NE2 HIS B 187 17.430 8.155 1.283 1.00 4.67 N ATOM 0 H HIS B 187 18.605 4.090 5.074 1.00 4.11 H new ATOM 0 HA HIS B 187 16.099 5.110 3.913 1.00 3.50 H new ATOM 0 HB2 HIS B 187 18.649 4.475 2.486 1.00 3.36 H new ATOM 0 HB3 HIS B 187 17.157 3.927 1.747 1.00 3.36 H new ATOM 0 HD1 HIS B 187 15.648 5.674 0.629 1.00 4.02 H new ATOM 0 HD2 HIS B 187 18.891 7.333 2.697 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.752 8.122 -0.041 1.00 4.46 H new ATOM 1585 N ARG B 188 15.331 2.828 4.523 1.00 2.96 N ATOM 1586 CA ARG B 188 14.776 1.500 4.722 1.00 2.79 C ATOM 1587 C ARG B 188 14.678 0.772 3.386 1.00 2.14 C ATOM 1588 O ARG B 188 13.985 1.232 2.478 1.00 1.99 O ATOM 1589 CB ARG B 188 13.397 1.600 5.371 1.00 3.34 C ATOM 1590 CG ARG B 188 12.758 0.252 5.656 1.00 3.55 C ATOM 1591 CD ARG B 188 11.338 0.191 5.116 1.00 3.79 C ATOM 1592 NE ARG B 188 11.278 0.502 3.691 1.00 3.55 N ATOM 1593 CZ ARG B 188 10.376 -0.004 2.858 1.00 3.89 C ATOM 1594 NH1 ARG B 188 9.443 -0.843 3.302 1.00 4.48 N ATOM 1595 NH2 ARG B 188 10.398 0.345 1.581 1.00 4.04 N ATOM 0 H ARG B 188 14.724 3.587 4.832 1.00 2.96 H new ATOM 0 HA ARG B 188 15.434 0.936 5.383 1.00 2.79 H new ATOM 0 HB2 ARG B 188 13.484 2.156 6.305 1.00 3.34 H new ATOM 0 HB3 ARG B 188 12.739 2.174 4.719 1.00 3.34 H new ATOM 0 HG2 ARG B 188 13.356 -0.540 5.204 1.00 3.55 H new ATOM 0 HG3 ARG B 188 12.749 0.071 6.731 1.00 3.55 H new ATOM 0 HD2 ARG B 188 10.928 -0.805 5.287 1.00 3.79 H new ATOM 0 HD3 ARG B 188 10.711 0.893 5.666 1.00 3.79 H new ATOM 0 HE ARG B 188 11.971 1.147 3.312 1.00 3.55 H new ATOM 0 HH11 ARG B 188 9.417 -1.102 4.288 1.00 4.48 H new ATOM 0 HH12 ARG B 188 8.754 -1.227 2.656 1.00 4.48 H new ATOM 0 HH21 ARG B 188 11.105 0.998 1.243 1.00 4.04 H new ATOM 0 HH22 ARG B 188 9.708 -0.040 0.935 1.00 4.04 H new ATOM 1609 N ARG B 189 15.380 -0.357 3.282 1.00 2.02 N ATOM 1610 CA ARG B 189 15.413 -1.159 2.059 1.00 1.77 C ATOM 1611 C ARG B 189 16.176 -0.412 0.971 1.00 1.33 C ATOM 1612 O ARG B 189 15.678 -0.216 -0.138 1.00 1.67 O ATOM 1613 CB ARG B 189 14.004 -1.515 1.570 1.00 2.37 C ATOM 1614 CG ARG B 189 13.652 -2.984 1.721 1.00 3.12 C ATOM 1615 CD ARG B 189 13.283 -3.331 3.153 1.00 3.82 C ATOM 1616 NE ARG B 189 12.153 -4.252 3.202 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.174 -4.184 4.097 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.228 -3.298 5.087 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.147 -5.016 4.014 1.00 5.48 N ATOM 0 H ARG B 189 15.941 -0.741 4.042 1.00 2.02 H new ATOM 0 HA ARG B 189 15.925 -2.094 2.287 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.277 -0.919 2.122 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.913 -1.236 0.520 1.00 2.37 H new ATOM 0 HG2 ARG B 189 12.819 -3.228 1.062 1.00 3.12 H new ATOM 0 HG3 ARG B 189 14.498 -3.595 1.405 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.142 -3.779 3.653 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.036 -2.420 3.698 1.00 3.82 H new ATOM 0 HE ARG B 189 12.112 -4.995 2.505 1.00 4.33 H new ATOM 0 HH11 ARG B 189 12.025 -2.665 5.162 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.473 -3.251 5.771 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.109 -5.707 3.264 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.394 -4.966 4.700 1.00 5.48 H new ATOM 1633 N GLY B 190 17.380 0.021 1.309 1.00 1.17 N ATOM 1634 CA GLY B 190 18.200 0.744 0.364 1.00 1.54 C ATOM 1635 C GLY B 190 19.355 -0.087 -0.146 1.00 1.70 C ATOM 1636 O GLY B 190 20.436 -0.091 0.444 1.00 1.97 O ATOM 0 H GLY B 190 17.805 -0.117 2.226 1.00 1.17 H new ATOM 0 HA2 GLY B 190 17.585 1.063 -0.478 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.586 1.647 0.837 1.00 1.54 H new ATOM 1640 N GLY B 191 19.117 -0.820 -1.223 1.00 1.91 N ATOM 1641 CA GLY B 191 20.156 -1.643 -1.806 1.00 2.36 C ATOM 1642 C GLY B 191 20.233 -3.021 -1.181 1.00 2.17 C ATOM 1643 O GLY B 191 20.008 -4.027 -1.857 1.00 2.71 O ATOM 0 H GLY B 191 18.219 -0.860 -1.705 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.976 -1.744 -2.876 1.00 2.36 H new ATOM 0 HA3 GLY B 191 21.117 -1.142 -1.691 1.00 2.36 H new ATOM 1647 N TYR B 192 20.549 -3.070 0.105 1.00 1.71 N ATOM 1648 CA TYR B 192 20.665 -4.333 0.818 1.00 1.86 C ATOM 1649 C TYR B 192 19.599 -4.455 1.897 1.00 1.87 C ATOM 1650 O TYR B 192 18.679 -5.259 1.781 1.00 2.21 O ATOM 1651 CB TYR B 192 22.054 -4.466 1.442 1.00 1.91 C ATOM 1652 CG TYR B 192 22.997 -5.337 0.646 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.211 -5.107 -0.705 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.676 -6.386 1.250 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.075 -5.900 -1.434 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.541 -7.183 0.528 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.738 -6.936 -0.811 1.00 3.77 C ATOM 1658 OH TYR B 192 25.600 -7.730 -1.533 1.00 4.48 O ATOM 0 H TYR B 192 20.730 -2.246 0.678 1.00 1.71 H new ATOM 0 HA TYR B 192 20.518 -5.138 0.098 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.492 -3.473 1.547 1.00 1.91 H new ATOM 0 HB3 TYR B 192 21.953 -4.878 2.446 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.694 -4.295 -1.194 1.00 2.95 H new ATOM 0 HD2 TYR B 192 23.525 -6.582 2.301 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.230 -5.710 -2.486 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.061 -7.997 1.012 1.00 3.41 H new ATOM 0 HH TYR B 192 25.986 -8.413 -0.945 1.00 4.48 H new ATOM 1668 N ASP B 193 19.728 -3.657 2.947 1.00 2.08 N ATOM 1669 CA ASP B 193 18.769 -3.689 4.045 1.00 2.57 C ATOM 1670 C ASP B 193 18.449 -2.280 4.532 1.00 2.39 C ATOM 1671 O ASP B 193 17.282 -1.887 4.597 1.00 2.59 O ATOM 1672 CB ASP B 193 19.312 -4.549 5.191 1.00 3.18 C ATOM 1673 CG ASP B 193 18.601 -4.305 6.508 1.00 3.84 C ATOM 1674 OD1 ASP B 193 17.487 -4.835 6.703 1.00 4.22 O ATOM 1675 OD2 ASP B 193 19.163 -3.598 7.366 1.00 4.14 O ATOM 0 H ASP B 193 20.483 -2.982 3.063 1.00 2.08 H new ATOM 0 HA ASP B 193 17.842 -4.133 3.682 1.00 2.57 H new ATOM 0 HB2 ASP B 193 19.217 -5.601 4.924 1.00 3.18 H new ATOM 0 HB3 ASP B 193 20.376 -4.347 5.316 1.00 3.18 H new ATOM 1680 N VAL B 194 19.481 -1.519 4.868 1.00 2.39 N ATOM 1681 CA VAL B 194 19.293 -0.151 5.340 1.00 2.62 C ATOM 1682 C VAL B 194 20.600 0.640 5.291 1.00 2.80 C ATOM 1683 O VAL B 194 20.586 1.867 5.226 1.00 3.15 O ATOM 1684 CB VAL B 194 18.713 -0.118 6.778 1.00 3.43 C ATOM 1685 CG1 VAL B 194 19.762 -0.495 7.813 1.00 3.97 C ATOM 1686 CG2 VAL B 194 18.116 1.248 7.091 1.00 3.78 C ATOM 0 H VAL B 194 20.454 -1.822 4.824 1.00 2.39 H new ATOM 0 HA VAL B 194 18.575 0.318 4.667 1.00 2.62 H new ATOM 0 HB VAL B 194 17.917 -0.861 6.827 1.00 3.43 H new ATOM 0 HG11 VAL B 194 19.320 -0.461 8.809 1.00 3.97 H new ATOM 0 HG12 VAL B 194 20.126 -1.503 7.612 1.00 3.97 H new ATOM 0 HG13 VAL B 194 20.593 0.208 7.761 1.00 3.97 H new ATOM 0 HG21 VAL B 194 17.716 1.246 8.105 1.00 3.78 H new ATOM 0 HG22 VAL B 194 18.890 2.011 7.008 1.00 3.78 H new ATOM 0 HG23 VAL B 194 17.315 1.465 6.385 1.00 3.78 H new ATOM 1696 N GLU B 195 21.725 -0.065 5.304 1.00 2.75 N ATOM 1697 CA GLU B 195 23.028 0.580 5.271 1.00 3.12 C ATOM 1698 C GLU B 195 23.624 0.530 3.864 1.00 2.88 C ATOM 1699 O GLU B 195 23.143 -0.211 3.003 1.00 2.39 O ATOM 1700 CB GLU B 195 23.964 -0.088 6.283 1.00 3.40 C ATOM 1701 CG GLU B 195 25.104 0.804 6.753 1.00 4.16 C ATOM 1702 CD GLU B 195 24.703 2.262 6.851 1.00 4.65 C ATOM 1703 OE1 GLU B 195 24.779 2.969 5.827 1.00 4.87 O ATOM 1704 OE2 GLU B 195 24.301 2.707 7.946 1.00 5.02 O ATOM 0 H GLU B 195 21.759 -1.084 5.337 1.00 2.75 H new ATOM 0 HA GLU B 195 22.907 1.629 5.543 1.00 3.12 H new ATOM 0 HB2 GLU B 195 23.381 -0.402 7.149 1.00 3.40 H new ATOM 0 HB3 GLU B 195 24.382 -0.990 5.836 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.451 0.460 7.728 1.00 4.16 H new ATOM 0 HG3 GLU B 195 25.943 0.708 6.064 1.00 4.16 H new ATOM 1711 N ASN B 196 24.659 1.333 3.637 1.00 3.43 N ATOM 1712 CA ASN B 196 25.321 1.396 2.340 1.00 3.64 C ATOM 1713 C ASN B 196 26.155 0.145 2.082 1.00 3.41 C ATOM 1714 O ASN B 196 26.312 -0.268 0.931 1.00 3.56 O ATOM 1715 CB ASN B 196 26.209 2.641 2.257 1.00 4.47 C ATOM 1716 CG ASN B 196 26.800 2.843 0.873 1.00 4.94 C ATOM 1717 OD1 ASN B 196 26.160 3.409 -0.013 1.00 5.26 O ATOM 1718 ND2 ASN B 196 28.024 2.385 0.675 1.00 5.14 N ATOM 0 H ASN B 196 25.059 1.953 4.341 1.00 3.43 H new ATOM 0 HA ASN B 196 24.548 1.454 1.574 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.624 3.519 2.530 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.016 2.557 2.984 1.00 4.47 H new ATOM 0 HD21 ASN B 196 28.469 2.496 -0.236 1.00 5.14 H new ATOM 0 HD22 ASN B 196 28.524 1.921 1.433 1.00 5.14 H new ATOM 1725 N GLU B 197 26.674 -0.439 3.167 1.00 3.29 N ATOM 1726 CA GLU B 197 27.504 -1.651 3.130 1.00 3.26 C ATOM 1727 C GLU B 197 28.629 -1.558 2.080 1.00 3.82 C ATOM 1728 O GLU B 197 28.998 -0.456 1.659 1.00 4.30 O ATOM 1729 CB GLU B 197 26.631 -2.911 2.960 1.00 2.93 C ATOM 1730 CG GLU B 197 25.919 -3.045 1.623 1.00 3.10 C ATOM 1731 CD GLU B 197 26.580 -4.070 0.739 1.00 3.38 C ATOM 1732 OE1 GLU B 197 27.150 -5.035 1.282 1.00 3.60 O ATOM 1733 OE2 GLU B 197 26.563 -3.907 -0.492 1.00 3.83 O ATOM 0 H GLU B 197 26.528 -0.079 4.110 1.00 3.29 H new ATOM 0 HA GLU B 197 28.008 -1.737 4.093 1.00 3.26 H new ATOM 0 HB2 GLU B 197 27.261 -3.789 3.105 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.882 -2.921 3.752 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.879 -3.326 1.791 1.00 3.10 H new ATOM 0 HG3 GLU B 197 25.910 -2.080 1.117 1.00 3.10 H new ATOM 1740 N GLU B 198 29.194 -2.700 1.665 1.00 3.91 N ATOM 1741 CA GLU B 198 30.294 -2.678 0.697 1.00 4.52 C ATOM 1742 C GLU B 198 30.473 -4.001 -0.051 1.00 4.64 C ATOM 1743 O GLU B 198 31.603 -4.430 -0.298 1.00 5.16 O ATOM 1744 CB GLU B 198 31.599 -2.322 1.411 1.00 4.90 C ATOM 1745 CG GLU B 198 32.160 -0.970 1.010 1.00 5.36 C ATOM 1746 CD GLU B 198 33.242 -0.497 1.952 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.040 -0.572 3.181 1.00 6.25 O ATOM 1748 OE2 GLU B 198 34.303 -0.052 1.470 1.00 6.45 O ATOM 0 H GLU B 198 28.914 -3.630 1.977 1.00 3.91 H new ATOM 0 HA GLU B 198 30.038 -1.924 -0.047 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.429 -2.331 2.488 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.341 -3.092 1.199 1.00 4.90 H new ATOM 0 HG2 GLU B 198 32.563 -1.031 -0.001 1.00 5.36 H new ATOM 0 HG3 GLU B 198 31.354 -0.236 0.988 1.00 5.36 H new ATOM 1755 N LYS B 199 29.379 -4.644 -0.425 1.00 4.32 N ATOM 1756 CA LYS B 199 29.458 -5.901 -1.162 1.00 4.64 C ATOM 1757 C LYS B 199 28.831 -5.746 -2.542 1.00 4.89 C ATOM 1758 O LYS B 199 29.453 -6.076 -3.555 1.00 5.53 O ATOM 1759 CB LYS B 199 28.770 -7.033 -0.396 1.00 4.38 C ATOM 1760 CG LYS B 199 29.737 -7.953 0.336 1.00 4.54 C ATOM 1761 CD LYS B 199 30.323 -7.292 1.573 1.00 4.53 C ATOM 1762 CE LYS B 199 31.583 -8.005 2.047 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.354 -9.458 2.264 1.00 4.56 N ATOM 0 H LYS B 199 28.430 -4.322 -0.234 1.00 4.32 H new ATOM 0 HA LYS B 199 30.511 -6.158 -1.277 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.076 -6.602 0.326 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.178 -7.625 -1.094 1.00 4.38 H new ATOM 0 HG2 LYS B 199 29.220 -8.868 0.624 1.00 4.54 H new ATOM 0 HG3 LYS B 199 30.544 -8.242 -0.338 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.555 -6.250 1.354 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.582 -7.292 2.372 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.375 -7.869 1.311 1.00 4.41 H new ATOM 0 HE3 LYS B 199 31.929 -7.550 2.975 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.172 -9.868 2.759 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.498 -9.592 2.839 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.232 -9.931 1.346 1.00 4.56 H new ATOM 1777 N VAL B 200 27.609 -5.218 -2.561 1.00 4.46 N ATOM 1778 CA VAL B 200 26.851 -4.988 -3.790 1.00 4.74 C ATOM 1779 C VAL B 200 26.806 -6.238 -4.674 1.00 5.32 C ATOM 1780 O VAL B 200 27.281 -6.232 -5.810 1.00 5.99 O ATOM 1781 CB VAL B 200 27.417 -3.797 -4.600 1.00 5.22 C ATOM 1782 CG1 VAL B 200 26.405 -3.319 -5.630 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.816 -2.649 -3.679 1.00 4.96 C ATOM 0 H VAL B 200 27.112 -4.935 -1.716 1.00 4.46 H new ATOM 0 HA VAL B 200 25.834 -4.746 -3.481 1.00 4.74 H new ATOM 0 HB VAL B 200 28.309 -4.142 -5.122 1.00 5.22 H new ATOM 0 HG11 VAL B 200 26.822 -2.481 -6.189 1.00 5.43 H new ATOM 0 HG12 VAL B 200 26.172 -4.133 -6.316 1.00 5.43 H new ATOM 0 HG13 VAL B 200 25.494 -3.000 -5.124 1.00 5.43 H new ATOM 0 HG21 VAL B 200 28.210 -1.825 -4.274 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.943 -2.309 -3.122 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.580 -2.991 -2.981 1.00 4.96 H new ATOM 1793 N LYS B 201 26.248 -7.316 -4.143 1.00 5.18 N ATOM 1794 CA LYS B 201 26.141 -8.564 -4.893 1.00 5.84 C ATOM 1795 C LYS B 201 24.847 -9.302 -4.559 1.00 5.78 C ATOM 1796 O LYS B 201 24.630 -10.434 -4.997 1.00 6.37 O ATOM 1797 CB LYS B 201 27.353 -9.458 -4.614 1.00 6.17 C ATOM 1798 CG LYS B 201 27.526 -9.826 -3.150 1.00 5.81 C ATOM 1799 CD LYS B 201 28.938 -10.311 -2.857 1.00 6.12 C ATOM 1800 CE LYS B 201 29.232 -11.633 -3.554 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.470 -12.761 -2.956 1.00 7.02 N ATOM 0 H LYS B 201 25.863 -7.354 -3.199 1.00 5.18 H new ATOM 0 HA LYS B 201 26.121 -8.318 -5.955 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.259 -10.373 -5.199 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.253 -8.950 -4.959 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.302 -8.960 -2.528 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.811 -10.604 -2.883 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.657 -9.559 -3.183 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.067 -10.430 -1.781 1.00 6.12 H new ATOM 0 HE2 LYS B 201 28.983 -11.548 -4.612 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.300 -11.845 -3.494 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 28.798 -13.658 -3.367 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 28.621 -12.775 -1.927 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.457 -12.640 -3.155 1.00 7.02 H new ATOM 1815 N LEU B 202 23.986 -8.658 -3.789 1.00 5.18 N ATOM 1816 CA LEU B 202 22.713 -9.248 -3.400 1.00 5.23 C ATOM 1817 C LEU B 202 21.592 -8.244 -3.615 1.00 4.95 C ATOM 1818 O LEU B 202 21.827 -7.036 -3.628 1.00 4.37 O ATOM 1819 CB LEU B 202 22.745 -9.684 -1.929 1.00 4.91 C ATOM 1820 CG LEU B 202 23.773 -10.765 -1.578 1.00 5.32 C ATOM 1821 CD1 LEU B 202 23.838 -10.968 -0.073 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.438 -12.079 -2.271 1.00 6.12 C ATOM 0 H LEU B 202 24.145 -7.721 -3.418 1.00 5.18 H new ATOM 0 HA LEU B 202 22.535 -10.128 -4.019 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.943 -8.807 -1.313 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.755 -10.048 -1.656 1.00 4.91 H new ATOM 0 HG LEU B 202 24.749 -10.430 -1.930 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.573 -11.739 0.159 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.128 -10.034 0.408 1.00 5.10 H new ATOM 0 HD13 LEU B 202 22.860 -11.277 0.295 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.182 -12.830 -2.006 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.452 -12.417 -1.953 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.440 -11.932 -3.351 1.00 6.12 H new ATOM 1834 N GLY B 203 20.378 -8.742 -3.788 1.00 5.44 N ATOM 1835 CA GLY B 203 19.243 -7.868 -3.998 1.00 5.30 C ATOM 1836 C GLY B 203 17.965 -8.441 -3.427 1.00 5.32 C ATOM 1837 O GLY B 203 16.871 -8.016 -3.794 1.00 5.33 O ATOM 0 H GLY B 203 20.158 -9.738 -3.787 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.442 -6.900 -3.538 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.115 -7.693 -5.066 1.00 5.30 H new ATOM 1841 N MET B 204 18.110 -9.398 -2.515 1.00 5.45 N ATOM 1842 CA MET B 204 16.965 -10.051 -1.877 1.00 5.69 C ATOM 1843 C MET B 204 16.036 -9.035 -1.211 1.00 5.11 C ATOM 1844 O MET B 204 14.813 -9.162 -1.274 1.00 5.36 O ATOM 1845 CB MET B 204 17.444 -11.078 -0.839 1.00 6.02 C ATOM 1846 CG MET B 204 18.407 -10.507 0.193 1.00 5.50 C ATOM 1847 SD MET B 204 18.908 -11.717 1.437 1.00 6.01 S ATOM 1848 CE MET B 204 19.811 -12.891 0.428 1.00 6.67 C ATOM 0 H MET B 204 19.016 -9.743 -2.197 1.00 5.45 H new ATOM 0 HA MET B 204 16.403 -10.562 -2.658 1.00 5.69 H new ATOM 0 HB2 MET B 204 16.577 -11.491 -0.323 1.00 6.02 H new ATOM 0 HB3 MET B 204 17.930 -11.905 -1.357 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.294 -10.129 -0.316 1.00 5.50 H new ATOM 0 HG3 MET B 204 17.937 -9.657 0.689 1.00 5.50 H new ATOM 0 HE1 MET B 204 20.416 -13.532 1.069 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.107 -13.502 -0.137 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.460 -12.353 -0.263 1.00 6.67 H new ATOM 1858 N THR B 205 16.620 -8.029 -0.583 1.00 4.40 N ATOM 1859 CA THR B 205 15.849 -7.000 0.092 1.00 3.86 C ATOM 1860 C THR B 205 16.191 -5.621 -0.465 1.00 3.22 C ATOM 1861 O THR B 205 16.140 -4.617 0.242 1.00 2.61 O ATOM 1862 CB THR B 205 16.119 -7.035 1.606 1.00 3.67 C ATOM 1863 OG1 THR B 205 17.401 -7.629 1.849 1.00 3.95 O ATOM 1864 CG2 THR B 205 15.041 -7.826 2.332 1.00 4.16 C ATOM 0 H THR B 205 17.631 -7.903 -0.527 1.00 4.40 H new ATOM 0 HA THR B 205 14.791 -7.196 -0.084 1.00 3.86 H new ATOM 0 HB THR B 205 16.108 -6.013 1.985 1.00 3.67 H new ATOM 0 HG1 THR B 205 18.074 -6.924 1.950 1.00 3.95 H new ATOM 0 HG21 THR B 205 15.255 -7.836 3.401 1.00 4.16 H new ATOM 0 HG22 THR B 205 14.070 -7.361 2.160 1.00 4.16 H new ATOM 0 HG23 THR B 205 15.025 -8.849 1.956 1.00 4.16 H new ATOM 1872 N ASN B 206 16.528 -5.590 -1.754 1.00 3.55 N ATOM 1873 CA ASN B 206 16.886 -4.345 -2.436 1.00 3.31 C ATOM 1874 C ASN B 206 15.743 -3.343 -2.348 1.00 3.04 C ATOM 1875 O ASN B 206 15.961 -2.146 -2.168 1.00 2.62 O ATOM 1876 CB ASN B 206 17.220 -4.630 -3.903 1.00 4.07 C ATOM 1877 CG ASN B 206 17.675 -3.399 -4.665 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.866 -2.679 -5.251 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.977 -3.157 -4.676 1.00 4.21 N ATOM 0 H ASN B 206 16.561 -6.417 -2.350 1.00 3.55 H new ATOM 0 HA ASN B 206 17.762 -3.919 -1.947 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.002 -5.388 -3.950 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.341 -5.048 -4.394 1.00 4.07 H new ATOM 0 HD21 ASN B 206 19.341 -2.350 -5.182 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.615 -3.777 -4.178 1.00 4.21 H new ATOM 1886 N SER B 207 14.528 -3.851 -2.495 1.00 3.47 N ATOM 1887 CA SER B 207 13.317 -3.046 -2.416 1.00 3.42 C ATOM 1888 C SER B 207 12.127 -3.958 -2.139 1.00 3.82 C ATOM 1889 O SER B 207 11.031 -3.756 -2.661 1.00 4.01 O ATOM 1890 CB SER B 207 13.096 -2.258 -3.715 1.00 3.85 C ATOM 1891 OG SER B 207 14.034 -1.204 -3.838 1.00 3.99 O ATOM 0 H SER B 207 14.353 -4.840 -2.674 1.00 3.47 H new ATOM 0 HA SER B 207 13.422 -2.326 -1.604 1.00 3.42 H new ATOM 0 HB2 SER B 207 13.184 -2.928 -4.570 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.084 -1.852 -3.730 1.00 3.85 H new ATOM 0 HG SER B 207 14.786 -1.362 -3.230 1.00 3.99 H new ATOM 1897 N HIS B 208 12.363 -4.967 -1.308 1.00 4.12 N ATOM 1898 CA HIS B 208 11.335 -5.933 -0.948 1.00 4.71 C ATOM 1899 C HIS B 208 11.193 -6.008 0.565 1.00 4.82 C ATOM 1900 O HIS B 208 10.050 -5.985 1.058 1.00 5.20 O ATOM 1901 CB HIS B 208 11.685 -7.318 -1.504 1.00 5.42 C ATOM 1902 CG HIS B 208 10.555 -8.310 -1.446 1.00 6.08 C ATOM 1903 ND1 HIS B 208 9.509 -8.227 -0.547 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.316 -9.418 -2.188 1.00 6.75 C ATOM 1905 CE1 HIS B 208 8.681 -9.238 -0.738 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.148 -9.972 -1.728 1.00 7.22 N ATOM 1907 OXT HIS B 208 12.224 -6.100 1.255 1.00 4.71 O ATOM 0 H HIS B 208 13.267 -5.137 -0.868 1.00 4.12 H new ATOM 0 HA HIS B 208 10.389 -5.608 -1.380 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.006 -7.211 -2.540 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.533 -7.717 -0.947 1.00 5.42 H new ATOM 0 HD1 HIS B 208 9.394 -7.497 0.156 1.00 6.30 H new ATOM 0 HD2 HIS B 208 10.931 -9.795 -2.992 1.00 6.75 H new ATOM 0 HE1 HIS B 208 7.777 -9.430 -0.179 1.00 6.95 H new TER 1916 HIS B 208