USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 TYR OH : rot 38:sc= 0.348 USER MOD Set 1.2: A 108 GLN : amide:sc= -0.0433 X(o=0.31,f=-0.03) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.23! K(o=-1.2!,f=0.7) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0.0082 USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-1.57!) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.0706 (180deg=-0.119) USER MOD Single : A 2 GLN : amide:sc= -0.425 K(o=-0.42,f=-0.96) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.21) USER MOD Single : A 17 GLN : amide:sc= -2.58! K(o=-2.6!,f=-1.6) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0.54 (180deg=0.477) USER MOD Single : A 28 GLN : amide:sc= 0.624 K(o=0.62,f=-1.2) USER MOD Single : A 32 ASN : amide:sc= 0.0233 X(o=0.023,f=-0.039) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.974 (180deg=-0.0318) USER MOD Single : A 36 SER OG : rot -4:sc= 0.487 USER MOD Single : A 42 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.54) USER MOD Single : A 46 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=-0.52) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0555) USER MOD Single : A 53 GLN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 56 HIS : no HE2:sc= 0.159 K(o=0.16,f=-0.91) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 42:sc= 0.12 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.76 X(o=-1.8,f=-2.2) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 41:sc= 0.0523 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 163:sc= 0.184 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 26:sc= 0.38 USER MOD Single : A 105 THR OG1 : rot -120:sc= -0.0744 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.312 X(o=0.31,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HE2:sc= 0.369 K(o=0.37,f=-1.2) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 120 HIS : no HD1:sc=-0.00215 X(o=-0.0021,f=-0.00074) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.760 -14.462 -9.603 1.00 63.32 N ATOM 2 CA MET A 1 3.114 -14.232 -9.046 1.00 3.15 C ATOM 3 C MET A 1 3.078 -14.244 -7.509 1.00 64.24 C ATOM 4 O MET A 1 2.057 -13.926 -6.896 1.00 20.35 O ATOM 5 CB MET A 1 3.746 -12.928 -9.631 1.00 42.43 C ATOM 6 CG MET A 1 2.860 -11.664 -9.611 1.00 61.13 C ATOM 7 SD MET A 1 2.642 -10.954 -7.964 1.00 1.20 S ATOM 8 CE MET A 1 1.624 -9.510 -8.321 1.00 55.41 C ATOM 0 H1 MET A 1 1.685 -14.004 -10.534 1.00 63.32 H new ATOM 0 H2 MET A 1 1.596 -15.484 -9.705 1.00 63.32 H new ATOM 0 H3 MET A 1 1.048 -14.059 -8.961 1.00 63.32 H new ATOM 0 HA MET A 1 3.764 -15.052 -9.351 1.00 3.15 H new ATOM 0 HB2 MET A 1 4.659 -12.713 -9.076 1.00 42.43 H new ATOM 0 HB3 MET A 1 4.038 -13.124 -10.663 1.00 42.43 H new ATOM 0 HG2 MET A 1 3.301 -10.912 -10.265 1.00 61.13 H new ATOM 0 HG3 MET A 1 1.881 -11.911 -10.023 1.00 61.13 H new ATOM 0 HE1 MET A 1 1.947 -8.675 -7.700 1.00 55.41 H new ATOM 0 HE2 MET A 1 1.728 -9.242 -9.372 1.00 55.41 H new ATOM 0 HE3 MET A 1 0.580 -9.739 -8.107 1.00 55.41 H new ATOM 20 N GLN A 2 4.198 -14.654 -6.901 1.00 20.25 N ATOM 21 CA GLN A 2 4.325 -14.834 -5.432 1.00 64.33 C ATOM 22 C GLN A 2 5.703 -14.332 -4.950 1.00 62.35 C ATOM 23 O GLN A 2 6.078 -14.523 -3.785 1.00 74.31 O ATOM 24 CB GLN A 2 4.116 -16.341 -5.050 1.00 2.33 C ATOM 25 CG GLN A 2 5.185 -17.334 -5.594 1.00 73.03 C ATOM 26 CD GLN A 2 5.152 -17.549 -7.120 1.00 30.31 C ATOM 27 OE1 GLN A 2 4.095 -17.483 -7.754 1.00 25.53 O ATOM 28 NE2 GLN A 2 6.307 -17.778 -7.721 1.00 71.32 N ATOM 0 H GLN A 2 5.054 -14.874 -7.410 1.00 20.25 H new ATOM 0 HA GLN A 2 3.553 -14.245 -4.936 1.00 64.33 H new ATOM 0 HB2 GLN A 2 4.094 -16.421 -3.963 1.00 2.33 H new ATOM 0 HB3 GLN A 2 3.138 -16.656 -5.413 1.00 2.33 H new ATOM 0 HG2 GLN A 2 6.174 -16.970 -5.314 1.00 73.03 H new ATOM 0 HG3 GLN A 2 5.049 -18.297 -5.103 1.00 73.03 H new ATOM 0 HE21 GLN A 2 7.166 -17.828 -7.173 1.00 71.32 H new ATOM 0 HE22 GLN A 2 6.339 -17.905 -8.733 1.00 71.32 H new ATOM 37 N ASP A 3 6.411 -13.658 -5.866 1.00 63.13 N ATOM 38 CA ASP A 3 7.789 -13.188 -5.677 1.00 52.41 C ATOM 39 C ASP A 3 7.822 -12.093 -4.608 1.00 0.44 C ATOM 40 O ASP A 3 7.437 -10.981 -4.892 1.00 12.11 O ATOM 41 CB ASP A 3 8.329 -12.654 -7.030 1.00 40.32 C ATOM 42 CG ASP A 3 8.210 -13.677 -8.175 1.00 53.13 C ATOM 43 OD1 ASP A 3 7.079 -13.885 -8.686 1.00 73.03 O ATOM 44 OD2 ASP A 3 9.230 -14.259 -8.580 1.00 54.14 O ATOM 0 H ASP A 3 6.031 -13.419 -6.782 1.00 63.13 H new ATOM 0 HA ASP A 3 8.421 -14.010 -5.341 1.00 52.41 H new ATOM 0 HB2 ASP A 3 7.783 -11.750 -7.301 1.00 40.32 H new ATOM 0 HB3 ASP A 3 9.375 -12.371 -6.911 1.00 40.32 H new ATOM 49 N ILE A 4 8.313 -12.445 -3.411 1.00 4.42 N ATOM 50 CA ILE A 4 8.196 -11.640 -2.165 1.00 45.02 C ATOM 51 C ILE A 4 8.538 -10.135 -2.352 1.00 40.14 C ATOM 52 O ILE A 4 7.779 -9.268 -1.906 1.00 25.34 O ATOM 53 CB ILE A 4 9.096 -12.281 -1.029 1.00 40.42 C ATOM 54 CG1 ILE A 4 8.605 -13.735 -0.689 1.00 34.33 C ATOM 55 CG2 ILE A 4 9.167 -11.397 0.247 1.00 12.33 C ATOM 56 CD1 ILE A 4 7.168 -13.834 -0.189 1.00 0.23 C ATOM 0 H ILE A 4 8.818 -13.320 -3.268 1.00 4.42 H new ATOM 0 HA ILE A 4 7.146 -11.667 -1.873 1.00 45.02 H new ATOM 0 HB ILE A 4 10.112 -12.340 -1.419 1.00 40.42 H new ATOM 0 HG12 ILE A 4 8.706 -14.353 -1.581 1.00 34.33 H new ATOM 0 HG13 ILE A 4 9.266 -14.157 0.068 1.00 34.33 H new ATOM 0 HG21 ILE A 4 9.796 -11.884 0.992 1.00 12.33 H new ATOM 0 HG22 ILE A 4 9.591 -10.425 -0.007 1.00 12.33 H new ATOM 0 HG23 ILE A 4 8.164 -11.261 0.652 1.00 12.33 H new ATOM 0 HD11 ILE A 4 6.926 -14.876 0.017 1.00 0.23 H new ATOM 0 HD12 ILE A 4 7.059 -13.248 0.724 1.00 0.23 H new ATOM 0 HD13 ILE A 4 6.490 -13.448 -0.951 1.00 0.23 H new ATOM 68 N VAL A 5 9.653 -9.850 -3.047 1.00 73.12 N ATOM 69 CA VAL A 5 10.151 -8.475 -3.258 1.00 22.23 C ATOM 70 C VAL A 5 9.209 -7.696 -4.203 1.00 55.24 C ATOM 71 O VAL A 5 8.732 -6.605 -3.868 1.00 22.15 O ATOM 72 CB VAL A 5 11.613 -8.491 -3.847 1.00 33.45 C ATOM 73 CG1 VAL A 5 12.186 -7.064 -3.984 1.00 31.31 C ATOM 74 CG2 VAL A 5 12.546 -9.398 -2.997 1.00 1.05 C ATOM 0 H VAL A 5 10.237 -10.566 -3.480 1.00 73.12 H new ATOM 0 HA VAL A 5 10.173 -7.974 -2.290 1.00 22.23 H new ATOM 0 HB VAL A 5 11.560 -8.914 -4.850 1.00 33.45 H new ATOM 0 HG11 VAL A 5 13.195 -7.115 -4.393 1.00 31.31 H new ATOM 0 HG12 VAL A 5 11.553 -6.480 -4.652 1.00 31.31 H new ATOM 0 HG13 VAL A 5 12.215 -6.588 -3.004 1.00 31.31 H new ATOM 0 HG21 VAL A 5 13.548 -9.391 -3.425 1.00 1.05 H new ATOM 0 HG22 VAL A 5 12.585 -9.023 -1.974 1.00 1.05 H new ATOM 0 HG23 VAL A 5 12.159 -10.417 -2.995 1.00 1.05 H new ATOM 84 N GLU A 6 8.927 -8.303 -5.369 1.00 31.44 N ATOM 85 CA GLU A 6 8.124 -7.677 -6.439 1.00 11.21 C ATOM 86 C GLU A 6 6.640 -7.553 -6.029 1.00 11.25 C ATOM 87 O GLU A 6 5.967 -6.589 -6.386 1.00 72.54 O ATOM 88 CB GLU A 6 8.241 -8.510 -7.744 1.00 31.51 C ATOM 89 CG GLU A 6 7.685 -7.813 -9.007 1.00 62.41 C ATOM 90 CD GLU A 6 8.411 -6.489 -9.327 1.00 70.52 C ATOM 91 OE1 GLU A 6 7.841 -5.396 -9.101 1.00 32.25 O ATOM 92 OE2 GLU A 6 9.573 -6.544 -9.790 1.00 32.05 O ATOM 0 H GLU A 6 9.249 -9.243 -5.598 1.00 31.44 H new ATOM 0 HA GLU A 6 8.514 -6.673 -6.609 1.00 11.21 H new ATOM 0 HB2 GLU A 6 9.290 -8.752 -7.911 1.00 31.51 H new ATOM 0 HB3 GLU A 6 7.714 -9.454 -7.605 1.00 31.51 H new ATOM 0 HG2 GLU A 6 7.776 -8.487 -9.859 1.00 62.41 H new ATOM 0 HG3 GLU A 6 6.622 -7.615 -8.869 1.00 62.41 H new ATOM 99 N ALA A 7 6.172 -8.536 -5.258 1.00 20.32 N ATOM 100 CA ALA A 7 4.780 -8.649 -4.823 1.00 32.00 C ATOM 101 C ALA A 7 4.463 -7.559 -3.806 1.00 21.21 C ATOM 102 O ALA A 7 3.433 -6.919 -3.902 1.00 75.35 O ATOM 103 CB ALA A 7 4.525 -10.045 -4.238 1.00 12.51 C ATOM 0 H ALA A 7 6.763 -9.292 -4.912 1.00 20.32 H new ATOM 0 HA ALA A 7 4.121 -8.515 -5.681 1.00 32.00 H new ATOM 0 HB1 ALA A 7 3.486 -10.121 -3.917 1.00 12.51 H new ATOM 0 HB2 ALA A 7 4.726 -10.800 -4.998 1.00 12.51 H new ATOM 0 HB3 ALA A 7 5.182 -10.207 -3.383 1.00 12.51 H new ATOM 109 N ALA A 8 5.386 -7.348 -2.853 1.00 31.54 N ATOM 110 CA ALA A 8 5.248 -6.312 -1.816 1.00 50.33 C ATOM 111 C ALA A 8 5.342 -4.896 -2.418 1.00 13.32 C ATOM 112 O ALA A 8 4.700 -3.962 -1.927 1.00 73.30 O ATOM 113 CB ALA A 8 6.311 -6.513 -0.739 1.00 74.32 C ATOM 0 H ALA A 8 6.247 -7.890 -2.780 1.00 31.54 H new ATOM 0 HA ALA A 8 4.261 -6.409 -1.364 1.00 50.33 H new ATOM 0 HB1 ALA A 8 6.204 -5.744 0.026 1.00 74.32 H new ATOM 0 HB2 ALA A 8 6.187 -7.496 -0.285 1.00 74.32 H new ATOM 0 HB3 ALA A 8 7.302 -6.443 -1.188 1.00 74.32 H new ATOM 119 N LYS A 9 6.151 -4.764 -3.484 1.00 72.42 N ATOM 120 CA LYS A 9 6.307 -3.508 -4.238 1.00 30.22 C ATOM 121 C LYS A 9 4.983 -3.137 -4.942 1.00 24.40 C ATOM 122 O LYS A 9 4.479 -2.022 -4.779 1.00 40.44 O ATOM 123 CB LYS A 9 7.467 -3.650 -5.260 1.00 74.23 C ATOM 124 CG LYS A 9 7.715 -2.399 -6.136 1.00 13.11 C ATOM 125 CD LYS A 9 8.883 -2.591 -7.133 1.00 20.30 C ATOM 126 CE LYS A 9 9.076 -1.377 -8.055 1.00 22.30 C ATOM 127 NZ LYS A 9 10.181 -1.592 -9.028 1.00 71.44 N ATOM 0 H LYS A 9 6.718 -5.530 -3.848 1.00 72.42 H new ATOM 0 HA LYS A 9 6.554 -2.701 -3.548 1.00 30.22 H new ATOM 0 HB2 LYS A 9 8.383 -3.885 -4.718 1.00 74.23 H new ATOM 0 HB3 LYS A 9 7.256 -4.497 -5.912 1.00 74.23 H new ATOM 0 HG2 LYS A 9 6.806 -2.161 -6.689 1.00 13.11 H new ATOM 0 HG3 LYS A 9 7.929 -1.546 -5.492 1.00 13.11 H new ATOM 0 HD2 LYS A 9 9.804 -2.772 -6.578 1.00 20.30 H new ATOM 0 HD3 LYS A 9 8.697 -3.478 -7.739 1.00 20.30 H new ATOM 0 HE2 LYS A 9 8.150 -1.180 -8.595 1.00 22.30 H new ATOM 0 HE3 LYS A 9 9.289 -0.494 -7.453 1.00 22.30 H new ATOM 0 HZ1 LYS A 9 10.280 -0.751 -9.632 1.00 71.44 H new ATOM 0 HZ2 LYS A 9 11.070 -1.755 -8.513 1.00 71.44 H new ATOM 0 HZ3 LYS A 9 9.966 -2.420 -9.620 1.00 71.44 H new ATOM 141 N GLN A 10 4.422 -4.108 -5.691 1.00 20.13 N ATOM 142 CA GLN A 10 3.139 -3.949 -6.411 1.00 73.33 C ATOM 143 C GLN A 10 1.977 -3.750 -5.433 1.00 53.51 C ATOM 144 O GLN A 10 1.028 -3.022 -5.728 1.00 33.35 O ATOM 145 CB GLN A 10 2.856 -5.181 -7.321 1.00 25.32 C ATOM 146 CG GLN A 10 3.812 -5.337 -8.520 1.00 45.45 C ATOM 147 CD GLN A 10 3.868 -4.073 -9.381 1.00 71.13 C ATOM 148 OE1 GLN A 10 4.734 -3.210 -9.204 1.00 55.42 O ATOM 149 NE2 GLN A 10 2.936 -3.948 -10.312 1.00 5.33 N ATOM 0 H GLN A 10 4.846 -5.027 -5.815 1.00 20.13 H new ATOM 0 HA GLN A 10 3.224 -3.060 -7.036 1.00 73.33 H new ATOM 0 HB2 GLN A 10 2.910 -6.084 -6.712 1.00 25.32 H new ATOM 0 HB3 GLN A 10 1.835 -5.110 -7.696 1.00 25.32 H new ATOM 0 HG2 GLN A 10 4.812 -5.572 -8.157 1.00 45.45 H new ATOM 0 HG3 GLN A 10 3.489 -6.179 -9.133 1.00 45.45 H new ATOM 0 HE21 GLN A 10 2.235 -4.679 -10.433 1.00 5.33 H new ATOM 0 HE22 GLN A 10 2.919 -3.121 -10.909 1.00 5.33 H new ATOM 158 N ALA A 11 2.090 -4.408 -4.274 1.00 71.15 N ATOM 159 CA ALA A 11 1.095 -4.359 -3.208 1.00 31.21 C ATOM 160 C ALA A 11 0.975 -2.948 -2.646 1.00 63.33 C ATOM 161 O ALA A 11 -0.129 -2.444 -2.504 1.00 64.44 O ATOM 162 CB ALA A 11 1.464 -5.344 -2.100 1.00 32.03 C ATOM 0 H ALA A 11 2.891 -4.999 -4.051 1.00 71.15 H new ATOM 0 HA ALA A 11 0.128 -4.643 -3.624 1.00 31.21 H new ATOM 0 HB1 ALA A 11 0.715 -5.300 -1.309 1.00 32.03 H new ATOM 0 HB2 ALA A 11 1.501 -6.354 -2.508 1.00 32.03 H new ATOM 0 HB3 ALA A 11 2.440 -5.082 -1.691 1.00 32.03 H new ATOM 168 N ALA A 12 2.136 -2.329 -2.361 1.00 62.04 N ATOM 169 CA ALA A 12 2.213 -0.965 -1.818 1.00 3.55 C ATOM 170 C ALA A 12 1.485 0.037 -2.725 1.00 63.04 C ATOM 171 O ALA A 12 0.621 0.780 -2.263 1.00 22.31 O ATOM 172 CB ALA A 12 3.675 -0.554 -1.624 1.00 32.04 C ATOM 0 H ALA A 12 3.048 -2.764 -2.502 1.00 62.04 H new ATOM 0 HA ALA A 12 1.715 -0.957 -0.849 1.00 3.55 H new ATOM 0 HB1 ALA A 12 3.718 0.458 -1.221 1.00 32.04 H new ATOM 0 HB2 ALA A 12 4.157 -1.242 -0.929 1.00 32.04 H new ATOM 0 HB3 ALA A 12 4.192 -0.585 -2.583 1.00 32.04 H new ATOM 178 N ILE A 13 1.818 -0.014 -4.027 1.00 13.44 N ATOM 179 CA ILE A 13 1.269 0.902 -5.043 1.00 42.11 C ATOM 180 C ILE A 13 -0.253 0.650 -5.221 1.00 21.21 C ATOM 181 O ILE A 13 -1.030 1.596 -5.357 1.00 11.11 O ATOM 182 CB ILE A 13 2.023 0.741 -6.424 1.00 41.42 C ATOM 183 CG1 ILE A 13 3.578 0.762 -6.220 1.00 24.24 C ATOM 184 CG2 ILE A 13 1.592 1.843 -7.425 1.00 5.52 C ATOM 185 CD1 ILE A 13 4.409 0.484 -7.469 1.00 21.41 C ATOM 0 H ILE A 13 2.478 -0.694 -4.405 1.00 13.44 H new ATOM 0 HA ILE A 13 1.420 1.925 -4.698 1.00 42.11 H new ATOM 0 HB ILE A 13 1.746 -0.227 -6.842 1.00 41.42 H new ATOM 0 HG12 ILE A 13 3.862 1.738 -5.826 1.00 24.24 H new ATOM 0 HG13 ILE A 13 3.837 0.024 -5.461 1.00 24.24 H new ATOM 0 HG21 ILE A 13 2.126 1.709 -8.366 1.00 5.52 H new ATOM 0 HG22 ILE A 13 0.519 1.773 -7.603 1.00 5.52 H new ATOM 0 HG23 ILE A 13 1.828 2.823 -7.011 1.00 5.52 H new ATOM 0 HD11 ILE A 13 5.469 0.522 -7.217 1.00 21.41 H new ATOM 0 HD12 ILE A 13 4.164 -0.505 -7.857 1.00 21.41 H new ATOM 0 HD13 ILE A 13 4.189 1.236 -8.227 1.00 21.41 H new ATOM 197 N ALA A 14 -0.649 -0.642 -5.166 1.00 3.10 N ATOM 198 CA ALA A 14 -2.059 -1.081 -5.317 1.00 73.21 C ATOM 199 C ALA A 14 -2.934 -0.621 -4.132 1.00 63.33 C ATOM 200 O ALA A 14 -4.125 -0.340 -4.304 1.00 3.41 O ATOM 201 CB ALA A 14 -2.128 -2.606 -5.468 1.00 45.10 C ATOM 0 H ALA A 14 0.001 -1.413 -5.015 1.00 3.10 H new ATOM 0 HA ALA A 14 -2.454 -0.613 -6.219 1.00 73.21 H new ATOM 0 HB1 ALA A 14 -3.168 -2.914 -5.578 1.00 45.10 H new ATOM 0 HB2 ALA A 14 -1.564 -2.910 -6.350 1.00 45.10 H new ATOM 0 HB3 ALA A 14 -1.701 -3.079 -4.584 1.00 45.10 H new ATOM 207 N ILE A 15 -2.316 -0.563 -2.936 1.00 24.42 N ATOM 208 CA ILE A 15 -2.947 -0.036 -1.712 1.00 23.22 C ATOM 209 C ILE A 15 -3.315 1.448 -1.913 1.00 15.41 C ATOM 210 O ILE A 15 -4.405 1.873 -1.538 1.00 60.04 O ATOM 211 CB ILE A 15 -2.000 -0.250 -0.452 1.00 14.55 C ATOM 212 CG1 ILE A 15 -1.949 -1.771 -0.073 1.00 51.13 C ATOM 213 CG2 ILE A 15 -2.404 0.619 0.768 1.00 33.52 C ATOM 214 CD1 ILE A 15 -1.017 -2.138 1.073 1.00 13.25 C ATOM 0 H ILE A 15 -1.358 -0.883 -2.792 1.00 24.42 H new ATOM 0 HA ILE A 15 -3.866 -0.587 -1.515 1.00 23.22 H new ATOM 0 HB ILE A 15 -1.002 0.083 -0.738 1.00 14.55 H new ATOM 0 HG12 ILE A 15 -2.957 -2.095 0.185 1.00 51.13 H new ATOM 0 HG13 ILE A 15 -1.649 -2.336 -0.955 1.00 51.13 H new ATOM 0 HG21 ILE A 15 -1.719 0.427 1.594 1.00 33.52 H new ATOM 0 HG22 ILE A 15 -2.357 1.673 0.495 1.00 33.52 H new ATOM 0 HG23 ILE A 15 -3.420 0.368 1.073 1.00 33.52 H new ATOM 0 HD11 ILE A 15 -1.062 -3.213 1.248 1.00 13.25 H new ATOM 0 HD12 ILE A 15 0.004 -1.854 0.817 1.00 13.25 H new ATOM 0 HD13 ILE A 15 -1.325 -1.610 1.976 1.00 13.25 H new ATOM 226 N PHE A 16 -2.411 2.203 -2.562 1.00 70.22 N ATOM 227 CA PHE A 16 -2.626 3.636 -2.852 1.00 14.32 C ATOM 228 C PHE A 16 -3.616 3.849 -4.004 1.00 71.03 C ATOM 229 O PHE A 16 -4.295 4.868 -4.036 1.00 12.31 O ATOM 230 CB PHE A 16 -1.286 4.343 -3.147 1.00 64.50 C ATOM 231 CG PHE A 16 -0.341 4.328 -1.959 1.00 1.20 C ATOM 232 CD1 PHE A 16 -0.735 4.870 -0.735 1.00 0.55 C ATOM 233 CD2 PHE A 16 0.924 3.772 -2.057 1.00 75.45 C ATOM 234 CE1 PHE A 16 0.115 4.852 0.348 1.00 64.34 C ATOM 235 CE2 PHE A 16 1.765 3.752 -0.980 1.00 0.11 C ATOM 236 CZ PHE A 16 1.365 4.292 0.225 1.00 41.44 C ATOM 0 H PHE A 16 -1.518 1.843 -2.899 1.00 70.22 H new ATOM 0 HA PHE A 16 -3.066 4.082 -1.960 1.00 14.32 H new ATOM 0 HB2 PHE A 16 -0.804 3.858 -3.996 1.00 64.50 H new ATOM 0 HB3 PHE A 16 -1.481 5.375 -3.438 1.00 64.50 H new ATOM 0 HD1 PHE A 16 -1.717 5.308 -0.636 1.00 0.55 H new ATOM 0 HD2 PHE A 16 1.250 3.349 -2.996 1.00 75.45 H new ATOM 0 HE1 PHE A 16 -0.199 5.276 1.290 1.00 64.34 H new ATOM 0 HE2 PHE A 16 2.747 3.312 -1.072 1.00 0.11 H new ATOM 0 HZ PHE A 16 2.034 4.275 1.072 1.00 41.44 H new ATOM 246 N GLN A 17 -3.679 2.883 -4.944 1.00 54.35 N ATOM 247 CA GLN A 17 -4.666 2.901 -6.050 1.00 2.32 C ATOM 248 C GLN A 17 -6.094 2.811 -5.487 1.00 50.24 C ATOM 249 O GLN A 17 -7.007 3.467 -5.993 1.00 1.43 O ATOM 250 CB GLN A 17 -4.394 1.747 -7.046 1.00 33.12 C ATOM 251 CG GLN A 17 -3.071 1.881 -7.827 1.00 23.33 C ATOM 252 CD GLN A 17 -2.690 0.620 -8.611 1.00 3.13 C ATOM 253 OE1 GLN A 17 -3.544 -0.129 -9.077 1.00 2.33 O ATOM 254 NE2 GLN A 17 -1.400 0.377 -8.751 1.00 3.23 N ATOM 0 H GLN A 17 -3.056 2.076 -4.961 1.00 54.35 H new ATOM 0 HA GLN A 17 -4.565 3.842 -6.591 1.00 2.32 H new ATOM 0 HB2 GLN A 17 -4.385 0.805 -6.498 1.00 33.12 H new ATOM 0 HB3 GLN A 17 -5.218 1.695 -7.757 1.00 33.12 H new ATOM 0 HG2 GLN A 17 -3.151 2.719 -8.520 1.00 23.33 H new ATOM 0 HG3 GLN A 17 -2.269 2.120 -7.128 1.00 23.33 H new ATOM 0 HE21 GLN A 17 -0.714 1.018 -8.352 1.00 3.23 H new ATOM 0 HE22 GLN A 17 -1.089 -0.452 -9.258 1.00 3.23 H new ATOM 263 N LEU A 18 -6.258 1.996 -4.427 1.00 30.12 N ATOM 264 CA LEU A 18 -7.519 1.904 -3.678 1.00 71.03 C ATOM 265 C LEU A 18 -7.721 3.152 -2.795 1.00 40.24 C ATOM 266 O LEU A 18 -8.827 3.665 -2.698 1.00 21.22 O ATOM 267 CB LEU A 18 -7.572 0.598 -2.832 1.00 55.23 C ATOM 268 CG LEU A 18 -7.588 -0.744 -3.638 1.00 74.44 C ATOM 269 CD1 LEU A 18 -7.636 -1.970 -2.700 1.00 24.02 C ATOM 270 CD2 LEU A 18 -8.747 -0.775 -4.660 1.00 24.12 C ATOM 0 H LEU A 18 -5.522 1.387 -4.070 1.00 30.12 H new ATOM 0 HA LEU A 18 -8.339 1.865 -4.395 1.00 71.03 H new ATOM 0 HB2 LEU A 18 -6.711 0.587 -2.164 1.00 55.23 H new ATOM 0 HB3 LEU A 18 -8.462 0.632 -2.204 1.00 55.23 H new ATOM 0 HG LEU A 18 -6.654 -0.797 -4.197 1.00 74.44 H new ATOM 0 HD11 LEU A 18 -7.646 -2.883 -3.295 1.00 24.02 H new ATOM 0 HD12 LEU A 18 -6.759 -1.968 -2.053 1.00 24.02 H new ATOM 0 HD13 LEU A 18 -8.537 -1.925 -2.089 1.00 24.02 H new ATOM 0 HD21 LEU A 18 -8.729 -1.720 -5.202 1.00 24.12 H new ATOM 0 HD22 LEU A 18 -9.697 -0.676 -4.136 1.00 24.12 H new ATOM 0 HD23 LEU A 18 -8.633 0.049 -5.364 1.00 24.12 H new ATOM 282 N TRP A 19 -6.637 3.663 -2.183 1.00 33.13 N ATOM 283 CA TRP A 19 -6.707 4.841 -1.280 1.00 35.03 C ATOM 284 C TRP A 19 -7.045 6.154 -2.030 1.00 1.11 C ATOM 285 O TRP A 19 -7.523 7.116 -1.414 1.00 55.31 O ATOM 286 CB TRP A 19 -5.400 4.972 -0.448 1.00 71.33 C ATOM 287 CG TRP A 19 -5.280 4.021 0.721 1.00 0.31 C ATOM 288 CD1 TRP A 19 -6.089 2.967 1.022 1.00 62.01 C ATOM 289 CD2 TRP A 19 -4.284 4.063 1.753 1.00 33.04 C ATOM 290 NE1 TRP A 19 -5.668 2.357 2.174 1.00 44.55 N ATOM 291 CE2 TRP A 19 -4.562 3.007 2.640 1.00 54.14 C ATOM 292 CE3 TRP A 19 -3.192 4.893 2.012 1.00 71.31 C ATOM 293 CZ2 TRP A 19 -3.786 2.758 3.765 1.00 35.44 C ATOM 294 CZ3 TRP A 19 -2.419 4.646 3.127 1.00 2.45 C ATOM 295 CH2 TRP A 19 -2.722 3.588 3.992 1.00 73.24 C ATOM 0 H TRP A 19 -5.697 3.282 -2.294 1.00 33.13 H new ATOM 0 HA TRP A 19 -7.535 4.669 -0.592 1.00 35.03 H new ATOM 0 HB2 TRP A 19 -4.549 4.815 -1.111 1.00 71.33 H new ATOM 0 HB3 TRP A 19 -5.328 5.993 -0.073 1.00 71.33 H new ATOM 0 HD1 TRP A 19 -6.941 2.656 0.436 1.00 62.01 H new ATOM 0 HE1 TRP A 19 -6.109 1.549 2.612 1.00 44.55 H new ATOM 0 HE3 TRP A 19 -2.957 5.714 1.351 1.00 71.31 H new ATOM 0 HZ2 TRP A 19 -4.014 1.941 4.434 1.00 35.44 H new ATOM 0 HZ3 TRP A 19 -1.568 5.278 3.336 1.00 2.45 H new ATOM 0 HH2 TRP A 19 -2.101 3.423 4.860 1.00 73.24 H new ATOM 306 N LYS A 20 -6.786 6.192 -3.351 1.00 51.33 N ATOM 307 CA LYS A 20 -7.161 7.338 -4.217 1.00 61.04 C ATOM 308 C LYS A 20 -8.463 7.038 -4.995 1.00 71.21 C ATOM 309 O LYS A 20 -9.143 7.967 -5.458 1.00 13.22 O ATOM 310 CB LYS A 20 -5.991 7.709 -5.174 1.00 12.32 C ATOM 311 CG LYS A 20 -5.651 6.638 -6.237 1.00 2.21 C ATOM 312 CD LYS A 20 -4.330 6.925 -7.001 1.00 63.35 C ATOM 313 CE LYS A 20 -4.351 8.243 -7.792 1.00 12.45 C ATOM 314 NZ LYS A 20 -3.145 8.380 -8.655 1.00 50.02 N ATOM 0 H LYS A 20 -6.315 5.437 -3.850 1.00 51.33 H new ATOM 0 HA LYS A 20 -7.354 8.202 -3.582 1.00 61.04 H new ATOM 0 HB2 LYS A 20 -6.240 8.639 -5.684 1.00 12.32 H new ATOM 0 HB3 LYS A 20 -5.100 7.902 -4.576 1.00 12.32 H new ATOM 0 HG2 LYS A 20 -5.577 5.665 -5.751 1.00 2.21 H new ATOM 0 HG3 LYS A 20 -6.470 6.575 -6.953 1.00 2.21 H new ATOM 0 HD2 LYS A 20 -3.506 6.952 -6.288 1.00 63.35 H new ATOM 0 HD3 LYS A 20 -4.131 6.102 -7.687 1.00 63.35 H new ATOM 0 HE2 LYS A 20 -5.248 8.284 -8.410 1.00 12.45 H new ATOM 0 HE3 LYS A 20 -4.402 9.083 -7.100 1.00 12.45 H new ATOM 0 HZ1 LYS A 20 -3.057 9.366 -8.974 1.00 50.02 H new ATOM 0 HZ2 LYS A 20 -2.298 8.114 -8.113 1.00 50.02 H new ATOM 0 HZ3 LYS A 20 -3.237 7.755 -9.481 1.00 50.02 H new ATOM 328 N ASN A 21 -8.794 5.734 -5.130 1.00 62.10 N ATOM 329 CA ASN A 21 -10.013 5.258 -5.824 1.00 42.40 C ATOM 330 C ASN A 21 -10.367 3.816 -5.349 1.00 3.44 C ATOM 331 O ASN A 21 -9.840 2.842 -5.896 1.00 74.55 O ATOM 332 CB ASN A 21 -9.799 5.321 -7.368 1.00 63.33 C ATOM 333 CG ASN A 21 -11.031 4.862 -8.153 1.00 52.52 C ATOM 334 OD1 ASN A 21 -11.913 5.662 -8.470 1.00 71.13 O ATOM 335 ND2 ASN A 21 -11.093 3.585 -8.486 1.00 60.22 N ATOM 0 H ASN A 21 -8.220 4.977 -4.758 1.00 62.10 H new ATOM 0 HA ASN A 21 -10.855 5.905 -5.575 1.00 42.40 H new ATOM 0 HB2 ASN A 21 -9.550 6.343 -7.655 1.00 63.33 H new ATOM 0 HB3 ASN A 21 -8.947 4.697 -7.639 1.00 63.33 H new ATOM 0 HD21 ASN A 21 -11.888 3.236 -9.021 1.00 60.22 H new ATOM 0 HD22 ASN A 21 -10.346 2.949 -8.208 1.00 60.22 H new ATOM 342 N PRO A 22 -11.235 3.651 -4.278 1.00 72.42 N ATOM 343 CA PRO A 22 -11.523 2.317 -3.648 1.00 3.10 C ATOM 344 C PRO A 22 -12.309 1.351 -4.558 1.00 51.31 C ATOM 345 O PRO A 22 -12.454 0.163 -4.233 1.00 40.50 O ATOM 346 CB PRO A 22 -12.329 2.698 -2.374 1.00 13.31 C ATOM 347 CG PRO A 22 -12.975 4.008 -2.711 1.00 70.31 C ATOM 348 CD PRO A 22 -11.973 4.749 -3.583 1.00 34.24 C ATOM 0 HA PRO A 22 -10.608 1.763 -3.440 1.00 3.10 H new ATOM 0 HB2 PRO A 22 -13.074 1.939 -2.135 1.00 13.31 H new ATOM 0 HB3 PRO A 22 -11.677 2.790 -1.505 1.00 13.31 H new ATOM 0 HG2 PRO A 22 -13.916 3.856 -3.239 1.00 70.31 H new ATOM 0 HG3 PRO A 22 -13.204 4.575 -1.809 1.00 70.31 H new ATOM 0 HD2 PRO A 22 -12.470 5.410 -4.293 1.00 34.24 H new ATOM 0 HD3 PRO A 22 -11.303 5.368 -2.987 1.00 34.24 H new ATOM 356 N THR A 23 -12.795 1.868 -5.692 1.00 0.32 N ATOM 357 CA THR A 23 -13.586 1.103 -6.667 1.00 53.43 C ATOM 358 C THR A 23 -12.692 0.437 -7.738 1.00 30.40 C ATOM 359 O THR A 23 -13.208 -0.246 -8.628 1.00 42.44 O ATOM 360 CB THR A 23 -14.635 2.052 -7.341 1.00 3.02 C ATOM 361 OG1 THR A 23 -13.965 3.204 -7.877 1.00 44.33 O ATOM 362 CG2 THR A 23 -15.719 2.517 -6.344 1.00 51.42 C ATOM 0 H THR A 23 -12.649 2.840 -5.963 1.00 0.32 H new ATOM 0 HA THR A 23 -14.101 0.302 -6.137 1.00 53.43 H new ATOM 0 HB THR A 23 -15.126 1.490 -8.135 1.00 3.02 H new ATOM 0 HG1 THR A 23 -14.621 3.797 -8.300 1.00 44.33 H new ATOM 0 HG21 THR A 23 -16.425 3.173 -6.854 1.00 51.42 H new ATOM 0 HG22 THR A 23 -16.249 1.649 -5.951 1.00 51.42 H new ATOM 0 HG23 THR A 23 -15.250 3.058 -5.522 1.00 51.42 H new ATOM 370 N ASP A 24 -11.350 0.625 -7.636 1.00 45.11 N ATOM 371 CA ASP A 24 -10.385 0.100 -8.634 1.00 22.13 C ATOM 372 C ASP A 24 -10.335 -1.448 -8.580 1.00 10.21 C ATOM 373 O ASP A 24 -9.883 -2.011 -7.576 1.00 50.50 O ATOM 374 CB ASP A 24 -8.959 0.691 -8.410 1.00 42.32 C ATOM 375 CG ASP A 24 -7.992 0.357 -9.568 1.00 30.20 C ATOM 376 OD1 ASP A 24 -7.523 -0.793 -9.665 1.00 74.44 O ATOM 377 OD2 ASP A 24 -7.724 1.238 -10.403 1.00 63.44 O ATOM 0 H ASP A 24 -10.913 1.138 -6.870 1.00 45.11 H new ATOM 0 HA ASP A 24 -10.729 0.409 -9.621 1.00 22.13 H new ATOM 0 HB2 ASP A 24 -9.031 1.773 -8.301 1.00 42.32 H new ATOM 0 HB3 ASP A 24 -8.551 0.303 -7.477 1.00 42.32 H new ATOM 382 N PRO A 25 -10.770 -2.160 -9.673 1.00 23.31 N ATOM 383 CA PRO A 25 -10.899 -3.636 -9.662 1.00 75.41 C ATOM 384 C PRO A 25 -9.550 -4.386 -9.753 1.00 34.12 C ATOM 385 O PRO A 25 -9.443 -5.505 -9.254 1.00 73.14 O ATOM 386 CB PRO A 25 -11.782 -3.906 -10.904 1.00 10.22 C ATOM 387 CG PRO A 25 -11.439 -2.801 -11.857 1.00 63.10 C ATOM 388 CD PRO A 25 -11.176 -1.582 -10.992 1.00 13.41 C ATOM 0 HA PRO A 25 -11.319 -3.999 -8.724 1.00 75.41 H new ATOM 0 HB2 PRO A 25 -11.569 -4.884 -11.337 1.00 10.22 H new ATOM 0 HB3 PRO A 25 -12.841 -3.894 -10.648 1.00 10.22 H new ATOM 0 HG2 PRO A 25 -10.562 -3.055 -12.453 1.00 63.10 H new ATOM 0 HG3 PRO A 25 -12.256 -2.618 -12.555 1.00 63.10 H new ATOM 0 HD2 PRO A 25 -10.390 -0.955 -11.413 1.00 13.41 H new ATOM 0 HD3 PRO A 25 -12.065 -0.959 -10.899 1.00 13.41 H new ATOM 396 N GLU A 26 -8.530 -3.758 -10.376 1.00 13.53 N ATOM 397 CA GLU A 26 -7.245 -4.432 -10.700 1.00 34.21 C ATOM 398 C GLU A 26 -6.272 -4.427 -9.506 1.00 31.11 C ATOM 399 O GLU A 26 -5.509 -5.384 -9.313 1.00 43.33 O ATOM 400 CB GLU A 26 -6.573 -3.768 -11.925 1.00 13.13 C ATOM 401 CG GLU A 26 -7.414 -3.801 -13.212 1.00 13.42 C ATOM 402 CD GLU A 26 -6.659 -3.223 -14.424 1.00 54.52 C ATOM 403 OE1 GLU A 26 -6.014 -3.998 -15.167 1.00 44.32 O ATOM 404 OE2 GLU A 26 -6.683 -1.992 -14.620 1.00 43.43 O ATOM 0 H GLU A 26 -8.568 -2.781 -10.667 1.00 13.53 H new ATOM 0 HA GLU A 26 -7.481 -5.470 -10.936 1.00 34.21 H new ATOM 0 HB2 GLU A 26 -6.347 -2.730 -11.681 1.00 13.13 H new ATOM 0 HB3 GLU A 26 -5.622 -4.265 -12.115 1.00 13.13 H new ATOM 0 HG2 GLU A 26 -7.705 -4.829 -13.426 1.00 13.42 H new ATOM 0 HG3 GLU A 26 -8.333 -3.235 -13.057 1.00 13.42 H new ATOM 411 N ALA A 27 -6.317 -3.342 -8.716 1.00 32.54 N ATOM 412 CA ALA A 27 -5.447 -3.154 -7.546 1.00 25.32 C ATOM 413 C ALA A 27 -5.756 -4.211 -6.481 1.00 62.21 C ATOM 414 O ALA A 27 -4.866 -4.933 -6.027 1.00 3.21 O ATOM 415 CB ALA A 27 -5.632 -1.738 -6.983 1.00 34.41 C ATOM 0 H ALA A 27 -6.962 -2.567 -8.873 1.00 32.54 H new ATOM 0 HA ALA A 27 -4.407 -3.273 -7.849 1.00 25.32 H new ATOM 0 HB1 ALA A 27 -4.985 -1.604 -6.116 1.00 34.41 H new ATOM 0 HB2 ALA A 27 -5.371 -1.006 -7.747 1.00 34.41 H new ATOM 0 HB3 ALA A 27 -6.671 -1.598 -6.685 1.00 34.41 H new ATOM 421 N GLN A 28 -7.048 -4.309 -6.131 1.00 51.53 N ATOM 422 CA GLN A 28 -7.548 -5.296 -5.163 1.00 61.10 C ATOM 423 C GLN A 28 -7.404 -6.738 -5.705 1.00 41.04 C ATOM 424 O GLN A 28 -7.214 -7.668 -4.919 1.00 32.23 O ATOM 425 CB GLN A 28 -9.019 -4.980 -4.789 1.00 32.42 C ATOM 426 CG GLN A 28 -10.007 -5.007 -5.970 1.00 33.21 C ATOM 427 CD GLN A 28 -11.412 -4.546 -5.585 1.00 13.52 C ATOM 428 OE1 GLN A 28 -12.260 -5.347 -5.199 1.00 4.32 O ATOM 429 NE2 GLN A 28 -11.656 -3.248 -5.659 1.00 51.35 N ATOM 0 H GLN A 28 -7.776 -3.705 -6.512 1.00 51.53 H new ATOM 0 HA GLN A 28 -6.941 -5.229 -4.260 1.00 61.10 H new ATOM 0 HB2 GLN A 28 -9.351 -5.699 -4.040 1.00 32.42 H new ATOM 0 HB3 GLN A 28 -9.057 -3.995 -4.324 1.00 32.42 H new ATOM 0 HG2 GLN A 28 -9.628 -4.369 -6.768 1.00 33.21 H new ATOM 0 HG3 GLN A 28 -10.060 -6.020 -6.369 1.00 33.21 H new ATOM 0 HE21 GLN A 28 -10.929 -2.610 -5.984 1.00 51.35 H new ATOM 0 HE22 GLN A 28 -12.571 -2.885 -5.391 1.00 51.35 H new ATOM 438 N GLU A 29 -7.448 -6.884 -7.054 1.00 14.42 N ATOM 439 CA GLU A 29 -7.357 -8.189 -7.750 1.00 0.01 C ATOM 440 C GLU A 29 -6.044 -8.885 -7.384 1.00 62.31 C ATOM 441 O GLU A 29 -6.052 -9.982 -6.812 1.00 11.34 O ATOM 442 CB GLU A 29 -7.474 -7.982 -9.298 1.00 65.43 C ATOM 443 CG GLU A 29 -7.827 -9.233 -10.142 1.00 0.11 C ATOM 444 CD GLU A 29 -6.712 -10.283 -10.305 1.00 60.13 C ATOM 445 OE1 GLU A 29 -5.589 -9.917 -10.697 1.00 61.32 O ATOM 446 OE2 GLU A 29 -6.968 -11.483 -10.057 1.00 51.44 O ATOM 0 H GLU A 29 -7.548 -6.094 -7.691 1.00 14.42 H new ATOM 0 HA GLU A 29 -8.181 -8.826 -7.431 1.00 0.01 H new ATOM 0 HB2 GLU A 29 -8.232 -7.221 -9.483 1.00 65.43 H new ATOM 0 HB3 GLU A 29 -6.527 -7.583 -9.661 1.00 65.43 H new ATOM 0 HG2 GLU A 29 -8.691 -9.719 -9.689 1.00 0.11 H new ATOM 0 HG3 GLU A 29 -8.132 -8.901 -11.134 1.00 0.11 H new ATOM 453 N LEU A 30 -4.928 -8.202 -7.686 1.00 11.41 N ATOM 454 CA LEU A 30 -3.585 -8.735 -7.433 1.00 2.14 C ATOM 455 C LEU A 30 -3.340 -8.929 -5.913 1.00 32.13 C ATOM 456 O LEU A 30 -2.693 -9.898 -5.511 1.00 72.21 O ATOM 457 CB LEU A 30 -2.499 -7.838 -8.131 1.00 50.11 C ATOM 458 CG LEU A 30 -2.355 -6.324 -7.673 1.00 2.02 C ATOM 459 CD1 LEU A 30 -1.381 -6.143 -6.485 1.00 42.43 C ATOM 460 CD2 LEU A 30 -1.951 -5.396 -8.851 1.00 45.12 C ATOM 0 H LEU A 30 -4.933 -7.274 -8.108 1.00 11.41 H new ATOM 0 HA LEU A 30 -3.503 -9.727 -7.878 1.00 2.14 H new ATOM 0 HB2 LEU A 30 -1.531 -8.320 -7.990 1.00 50.11 H new ATOM 0 HB3 LEU A 30 -2.705 -7.842 -9.201 1.00 50.11 H new ATOM 0 HG LEU A 30 -3.346 -6.028 -7.327 1.00 2.02 H new ATOM 0 HD11 LEU A 30 -1.325 -5.088 -6.218 1.00 42.43 H new ATOM 0 HD12 LEU A 30 -1.740 -6.715 -5.630 1.00 42.43 H new ATOM 0 HD13 LEU A 30 -0.391 -6.499 -6.769 1.00 42.43 H new ATOM 0 HD21 LEU A 30 -1.864 -4.370 -8.493 1.00 45.12 H new ATOM 0 HD22 LEU A 30 -0.993 -5.721 -9.258 1.00 45.12 H new ATOM 0 HD23 LEU A 30 -2.712 -5.445 -9.630 1.00 45.12 H new ATOM 472 N LEU A 31 -3.932 -8.023 -5.087 1.00 15.11 N ATOM 473 CA LEU A 31 -3.839 -8.068 -3.603 1.00 42.22 C ATOM 474 C LEU A 31 -4.485 -9.343 -3.008 1.00 23.10 C ATOM 475 O LEU A 31 -4.051 -9.805 -1.965 1.00 25.34 O ATOM 476 CB LEU A 31 -4.483 -6.795 -2.960 1.00 63.54 C ATOM 477 CG LEU A 31 -3.707 -5.449 -3.134 1.00 5.33 C ATOM 478 CD1 LEU A 31 -4.495 -4.248 -2.552 1.00 13.12 C ATOM 479 CD2 LEU A 31 -2.304 -5.540 -2.514 1.00 45.05 C ATOM 0 H LEU A 31 -4.487 -7.241 -5.433 1.00 15.11 H new ATOM 0 HA LEU A 31 -2.776 -8.092 -3.362 1.00 42.22 H new ATOM 0 HB2 LEU A 31 -5.480 -6.669 -3.381 1.00 63.54 H new ATOM 0 HB3 LEU A 31 -4.608 -6.980 -1.893 1.00 63.54 H new ATOM 0 HG LEU A 31 -3.597 -5.274 -4.204 1.00 5.33 H new ATOM 0 HD11 LEU A 31 -3.920 -3.333 -2.694 1.00 13.12 H new ATOM 0 HD12 LEU A 31 -5.453 -4.158 -3.065 1.00 13.12 H new ATOM 0 HD13 LEU A 31 -4.667 -4.407 -1.488 1.00 13.12 H new ATOM 0 HD21 LEU A 31 -1.785 -4.591 -2.648 1.00 45.05 H new ATOM 0 HD22 LEU A 31 -2.390 -5.759 -1.450 1.00 45.05 H new ATOM 0 HD23 LEU A 31 -1.741 -6.334 -3.004 1.00 45.05 H new ATOM 491 N ASN A 32 -5.518 -9.897 -3.669 1.00 34.22 N ATOM 492 CA ASN A 32 -6.160 -11.166 -3.216 1.00 41.34 C ATOM 493 C ASN A 32 -5.193 -12.367 -3.314 1.00 72.10 C ATOM 494 O ASN A 32 -5.317 -13.343 -2.570 1.00 74.30 O ATOM 495 CB ASN A 32 -7.453 -11.475 -4.024 1.00 3.12 C ATOM 496 CG ASN A 32 -8.673 -10.682 -3.559 1.00 5.15 C ATOM 497 OD1 ASN A 32 -9.329 -11.061 -2.593 1.00 23.34 O ATOM 498 ND2 ASN A 32 -9.018 -9.613 -4.251 1.00 14.23 N ATOM 0 H ASN A 32 -5.930 -9.498 -4.512 1.00 34.22 H new ATOM 0 HA ASN A 32 -6.426 -11.018 -2.169 1.00 41.34 H new ATOM 0 HB2 ASN A 32 -7.272 -11.261 -5.077 1.00 3.12 H new ATOM 0 HB3 ASN A 32 -7.672 -12.540 -3.948 1.00 3.12 H new ATOM 0 HD21 ASN A 32 -9.847 -9.080 -3.987 1.00 14.23 H new ATOM 0 HD22 ASN A 32 -8.456 -9.319 -5.050 1.00 14.23 H new ATOM 505 N LYS A 33 -4.236 -12.267 -4.240 1.00 70.20 N ATOM 506 CA LYS A 33 -3.339 -13.370 -4.618 1.00 5.52 C ATOM 507 C LYS A 33 -2.006 -13.337 -3.834 1.00 44.52 C ATOM 508 O LYS A 33 -1.462 -14.394 -3.497 1.00 1.14 O ATOM 509 CB LYS A 33 -3.098 -13.270 -6.142 1.00 14.21 C ATOM 510 CG LYS A 33 -4.370 -13.535 -7.009 1.00 61.34 C ATOM 511 CD LYS A 33 -4.493 -12.604 -8.235 1.00 3.43 C ATOM 512 CE LYS A 33 -3.270 -12.625 -9.157 1.00 71.20 C ATOM 513 NZ LYS A 33 -3.469 -11.771 -10.354 1.00 72.33 N ATOM 0 H LYS A 33 -4.057 -11.406 -4.758 1.00 70.20 H new ATOM 0 HA LYS A 33 -3.804 -14.323 -4.365 1.00 5.52 H new ATOM 0 HB2 LYS A 33 -2.714 -12.276 -6.374 1.00 14.21 H new ATOM 0 HB3 LYS A 33 -2.324 -13.984 -6.424 1.00 14.21 H new ATOM 0 HG2 LYS A 33 -4.357 -14.570 -7.350 1.00 61.34 H new ATOM 0 HG3 LYS A 33 -5.255 -13.417 -6.384 1.00 61.34 H new ATOM 0 HD2 LYS A 33 -5.374 -12.891 -8.810 1.00 3.43 H new ATOM 0 HD3 LYS A 33 -4.657 -11.584 -7.889 1.00 3.43 H new ATOM 0 HE2 LYS A 33 -2.394 -12.282 -8.607 1.00 71.20 H new ATOM 0 HE3 LYS A 33 -3.068 -13.649 -9.470 1.00 71.20 H new ATOM 0 HZ1 LYS A 33 -3.581 -12.373 -11.195 1.00 72.33 H new ATOM 0 HZ2 LYS A 33 -4.322 -11.190 -10.228 1.00 72.33 H new ATOM 0 HZ3 LYS A 33 -2.643 -11.151 -10.479 1.00 72.33 H new ATOM 527 N ILE A 34 -1.480 -12.131 -3.556 1.00 14.44 N ATOM 528 CA ILE A 34 -0.158 -11.959 -2.878 1.00 32.52 C ATOM 529 C ILE A 34 -0.310 -11.564 -1.395 1.00 74.23 C ATOM 530 O ILE A 34 0.563 -11.859 -0.566 1.00 34.13 O ATOM 531 CB ILE A 34 0.730 -10.907 -3.651 1.00 21.43 C ATOM 532 CG1 ILE A 34 -0.022 -9.548 -3.816 1.00 1.35 C ATOM 533 CG2 ILE A 34 1.165 -11.470 -5.022 1.00 30.52 C ATOM 534 CD1 ILE A 34 0.737 -8.457 -4.557 1.00 1.13 C ATOM 0 H ILE A 34 -1.942 -11.252 -3.786 1.00 14.44 H new ATOM 0 HA ILE A 34 0.345 -12.926 -2.900 1.00 32.52 H new ATOM 0 HB ILE A 34 1.626 -10.718 -3.059 1.00 21.43 H new ATOM 0 HG12 ILE A 34 -0.959 -9.734 -4.342 1.00 1.35 H new ATOM 0 HG13 ILE A 34 -0.281 -9.175 -2.825 1.00 1.35 H new ATOM 0 HG21 ILE A 34 1.776 -10.732 -5.541 1.00 30.52 H new ATOM 0 HG22 ILE A 34 1.744 -12.381 -4.874 1.00 30.52 H new ATOM 0 HG23 ILE A 34 0.282 -11.695 -5.620 1.00 30.52 H new ATOM 0 HD11 ILE A 34 0.121 -7.559 -4.613 1.00 1.13 H new ATOM 0 HD12 ILE A 34 1.661 -8.231 -4.025 1.00 1.13 H new ATOM 0 HD13 ILE A 34 0.973 -8.798 -5.565 1.00 1.13 H new ATOM 546 N LEU A 35 -1.410 -10.869 -1.080 1.00 42.04 N ATOM 547 CA LEU A 35 -1.815 -10.542 0.306 1.00 12.44 C ATOM 548 C LEU A 35 -3.007 -11.432 0.691 1.00 12.13 C ATOM 549 O LEU A 35 -3.475 -12.254 -0.114 1.00 2.55 O ATOM 550 CB LEU A 35 -2.201 -9.024 0.429 1.00 54.24 C ATOM 551 CG LEU A 35 -1.040 -7.986 0.598 1.00 21.52 C ATOM 552 CD1 LEU A 35 -0.351 -8.115 1.964 1.00 41.32 C ATOM 553 CD2 LEU A 35 -0.018 -8.071 -0.536 1.00 11.23 C ATOM 0 H LEU A 35 -2.056 -10.511 -1.784 1.00 42.04 H new ATOM 0 HA LEU A 35 -0.981 -10.727 0.983 1.00 12.44 H new ATOM 0 HB2 LEU A 35 -2.769 -8.750 -0.460 1.00 54.24 H new ATOM 0 HB3 LEU A 35 -2.872 -8.917 1.281 1.00 54.24 H new ATOM 0 HG LEU A 35 -1.502 -7.000 0.549 1.00 21.52 H new ATOM 0 HD11 LEU A 35 0.448 -7.377 2.040 1.00 41.32 H new ATOM 0 HD12 LEU A 35 -1.079 -7.944 2.757 1.00 41.32 H new ATOM 0 HD13 LEU A 35 0.069 -9.116 2.067 1.00 41.32 H new ATOM 0 HD21 LEU A 35 0.767 -7.332 -0.374 1.00 11.23 H new ATOM 0 HD22 LEU A 35 0.421 -9.068 -0.556 1.00 11.23 H new ATOM 0 HD23 LEU A 35 -0.512 -7.873 -1.487 1.00 11.23 H new ATOM 565 N SER A 36 -3.474 -11.282 1.934 1.00 74.54 N ATOM 566 CA SER A 36 -4.684 -11.961 2.418 1.00 4.54 C ATOM 567 C SER A 36 -5.945 -11.136 2.034 1.00 73.21 C ATOM 568 O SER A 36 -5.852 -9.910 1.890 1.00 54.23 O ATOM 569 CB SER A 36 -4.576 -12.161 3.948 1.00 2.02 C ATOM 570 OG SER A 36 -3.410 -12.904 4.282 1.00 72.23 O ATOM 0 H SER A 36 -3.027 -10.689 2.633 1.00 74.54 H new ATOM 0 HA SER A 36 -4.777 -12.941 1.949 1.00 4.54 H new ATOM 0 HB2 SER A 36 -4.549 -11.191 4.444 1.00 2.02 H new ATOM 0 HB3 SER A 36 -5.461 -12.682 4.314 1.00 2.02 H new ATOM 0 HG SER A 36 -2.956 -13.188 3.461 1.00 72.23 H new ATOM 576 N PRO A 37 -7.132 -11.802 1.806 1.00 65.40 N ATOM 577 CA PRO A 37 -8.441 -11.106 1.557 1.00 54.00 C ATOM 578 C PRO A 37 -8.803 -10.011 2.601 1.00 54.51 C ATOM 579 O PRO A 37 -9.551 -9.072 2.298 1.00 74.15 O ATOM 580 CB PRO A 37 -9.459 -12.270 1.575 1.00 32.24 C ATOM 581 CG PRO A 37 -8.674 -13.457 1.101 1.00 73.24 C ATOM 582 CD PRO A 37 -7.287 -13.282 1.691 1.00 12.24 C ATOM 0 HA PRO A 37 -8.419 -10.543 0.624 1.00 54.00 H new ATOM 0 HB2 PRO A 37 -9.860 -12.432 2.576 1.00 32.24 H new ATOM 0 HB3 PRO A 37 -10.307 -12.067 0.921 1.00 32.24 H new ATOM 0 HG2 PRO A 37 -9.129 -14.389 1.436 1.00 73.24 H new ATOM 0 HG3 PRO A 37 -8.636 -13.494 0.012 1.00 73.24 H new ATOM 0 HD2 PRO A 37 -7.201 -13.770 2.662 1.00 12.24 H new ATOM 0 HD3 PRO A 37 -6.521 -13.715 1.048 1.00 12.24 H new ATOM 590 N ASP A 38 -8.270 -10.163 3.824 1.00 61.31 N ATOM 591 CA ASP A 38 -8.418 -9.181 4.921 1.00 13.00 C ATOM 592 C ASP A 38 -7.725 -7.840 4.581 1.00 32.31 C ATOM 593 O ASP A 38 -8.284 -6.765 4.840 1.00 11.21 O ATOM 594 CB ASP A 38 -7.831 -9.776 6.228 1.00 32.25 C ATOM 595 CG ASP A 38 -7.959 -8.837 7.447 1.00 24.05 C ATOM 596 OD1 ASP A 38 -7.019 -8.056 7.739 1.00 72.12 O ATOM 597 OD2 ASP A 38 -9.011 -8.873 8.124 1.00 55.00 O ATOM 0 H ASP A 38 -7.717 -10.979 4.086 1.00 61.31 H new ATOM 0 HA ASP A 38 -9.480 -8.974 5.057 1.00 13.00 H new ATOM 0 HB2 ASP A 38 -8.337 -10.716 6.449 1.00 32.25 H new ATOM 0 HB3 ASP A 38 -6.778 -10.011 6.070 1.00 32.25 H new ATOM 602 N VAL A 39 -6.516 -7.935 3.991 1.00 44.44 N ATOM 603 CA VAL A 39 -5.647 -6.772 3.718 1.00 52.30 C ATOM 604 C VAL A 39 -6.318 -5.758 2.774 1.00 60.02 C ATOM 605 O VAL A 39 -6.522 -4.616 3.164 1.00 12.14 O ATOM 606 CB VAL A 39 -4.254 -7.204 3.125 1.00 75.11 C ATOM 607 CG1 VAL A 39 -3.379 -5.972 2.778 1.00 15.42 C ATOM 608 CG2 VAL A 39 -3.508 -8.161 4.090 1.00 61.51 C ATOM 0 H VAL A 39 -6.114 -8.823 3.690 1.00 44.44 H new ATOM 0 HA VAL A 39 -5.480 -6.290 4.681 1.00 52.30 H new ATOM 0 HB VAL A 39 -4.446 -7.744 2.198 1.00 75.11 H new ATOM 0 HG11 VAL A 39 -2.425 -6.306 2.371 1.00 15.42 H new ATOM 0 HG12 VAL A 39 -3.893 -5.357 2.039 1.00 15.42 H new ATOM 0 HG13 VAL A 39 -3.203 -5.385 3.679 1.00 15.42 H new ATOM 0 HG21 VAL A 39 -2.549 -8.443 3.654 1.00 61.51 H new ATOM 0 HG22 VAL A 39 -3.340 -7.659 5.043 1.00 61.51 H new ATOM 0 HG23 VAL A 39 -4.109 -9.055 4.252 1.00 61.51 H new ATOM 618 N LEU A 40 -6.670 -6.182 1.548 1.00 71.23 N ATOM 619 CA LEU A 40 -7.284 -5.271 0.545 1.00 62.40 C ATOM 620 C LEU A 40 -8.627 -4.688 1.036 1.00 3.35 C ATOM 621 O LEU A 40 -9.066 -3.639 0.550 1.00 33.25 O ATOM 622 CB LEU A 40 -7.503 -5.979 -0.811 1.00 74.14 C ATOM 623 CG LEU A 40 -8.376 -7.287 -0.765 1.00 54.42 C ATOM 624 CD1 LEU A 40 -9.411 -7.340 -1.900 1.00 60.33 C ATOM 625 CD2 LEU A 40 -7.485 -8.544 -0.770 1.00 13.04 C ATOM 0 H LEU A 40 -6.544 -7.140 1.222 1.00 71.23 H new ATOM 0 HA LEU A 40 -6.577 -4.453 0.410 1.00 62.40 H new ATOM 0 HB2 LEU A 40 -7.974 -5.274 -1.496 1.00 74.14 H new ATOM 0 HB3 LEU A 40 -6.529 -6.229 -1.231 1.00 74.14 H new ATOM 0 HG LEU A 40 -8.934 -7.264 0.171 1.00 54.42 H new ATOM 0 HD11 LEU A 40 -9.988 -8.262 -1.824 1.00 60.33 H new ATOM 0 HD12 LEU A 40 -10.082 -6.485 -1.821 1.00 60.33 H new ATOM 0 HD13 LEU A 40 -8.898 -7.311 -2.862 1.00 60.33 H new ATOM 0 HD21 LEU A 40 -8.112 -9.435 -0.738 1.00 13.04 H new ATOM 0 HD22 LEU A 40 -6.881 -8.558 -1.677 1.00 13.04 H new ATOM 0 HD23 LEU A 40 -6.830 -8.529 0.101 1.00 13.04 H new ATOM 637 N ASP A 41 -9.267 -5.388 1.993 1.00 11.23 N ATOM 638 CA ASP A 41 -10.556 -4.977 2.558 1.00 2.34 C ATOM 639 C ASP A 41 -10.378 -3.845 3.590 1.00 51.41 C ATOM 640 O ASP A 41 -11.163 -2.892 3.607 1.00 0.10 O ATOM 641 CB ASP A 41 -11.297 -6.184 3.179 1.00 33.01 C ATOM 642 CG ASP A 41 -12.717 -5.819 3.646 1.00 40.01 C ATOM 643 OD1 ASP A 41 -13.014 -5.912 4.855 1.00 53.44 O ATOM 644 OD2 ASP A 41 -13.534 -5.403 2.797 1.00 2.42 O ATOM 0 H ASP A 41 -8.901 -6.252 2.392 1.00 11.23 H new ATOM 0 HA ASP A 41 -11.168 -4.589 1.744 1.00 2.34 H new ATOM 0 HB2 ASP A 41 -11.353 -6.989 2.446 1.00 33.01 H new ATOM 0 HB3 ASP A 41 -10.724 -6.563 4.026 1.00 33.01 H new ATOM 649 N GLN A 42 -9.352 -3.953 4.463 1.00 53.53 N ATOM 650 CA GLN A 42 -9.021 -2.866 5.415 1.00 62.41 C ATOM 651 C GLN A 42 -8.399 -1.668 4.665 1.00 0.20 C ATOM 652 O GLN A 42 -8.520 -0.527 5.105 1.00 21.21 O ATOM 653 CB GLN A 42 -8.081 -3.355 6.555 1.00 21.02 C ATOM 654 CG GLN A 42 -6.681 -3.813 6.100 1.00 25.52 C ATOM 655 CD GLN A 42 -5.718 -4.138 7.239 1.00 51.10 C ATOM 656 OE1 GLN A 42 -5.790 -3.557 8.321 1.00 45.24 O ATOM 657 NE2 GLN A 42 -4.803 -5.067 7.000 1.00 30.35 N ATOM 0 H GLN A 42 -8.745 -4.770 4.529 1.00 53.53 H new ATOM 0 HA GLN A 42 -9.951 -2.544 5.884 1.00 62.41 H new ATOM 0 HB2 GLN A 42 -7.964 -2.549 7.279 1.00 21.02 H new ATOM 0 HB3 GLN A 42 -8.565 -4.182 7.074 1.00 21.02 H new ATOM 0 HG2 GLN A 42 -6.789 -4.696 5.470 1.00 25.52 H new ATOM 0 HG3 GLN A 42 -6.241 -3.031 5.481 1.00 25.52 H new ATOM 0 HE21 GLN A 42 -4.771 -5.530 6.091 1.00 30.35 H new ATOM 0 HE22 GLN A 42 -4.131 -5.319 7.725 1.00 30.35 H new ATOM 666 N VAL A 43 -7.752 -1.956 3.515 1.00 3.02 N ATOM 667 CA VAL A 43 -7.181 -0.937 2.624 1.00 34.34 C ATOM 668 C VAL A 43 -8.305 -0.080 2.008 1.00 12.44 C ATOM 669 O VAL A 43 -8.290 1.142 2.169 1.00 73.44 O ATOM 670 CB VAL A 43 -6.274 -1.592 1.507 1.00 3.42 C ATOM 671 CG1 VAL A 43 -5.948 -0.614 0.360 1.00 52.23 C ATOM 672 CG2 VAL A 43 -4.965 -2.159 2.116 1.00 2.32 C ATOM 0 H VAL A 43 -7.613 -2.910 3.182 1.00 3.02 H new ATOM 0 HA VAL A 43 -6.538 -0.284 3.215 1.00 34.34 H new ATOM 0 HB VAL A 43 -6.852 -2.412 1.080 1.00 3.42 H new ATOM 0 HG11 VAL A 43 -5.323 -1.115 -0.379 1.00 52.23 H new ATOM 0 HG12 VAL A 43 -6.874 -0.284 -0.111 1.00 52.23 H new ATOM 0 HG13 VAL A 43 -5.416 0.250 0.759 1.00 52.23 H new ATOM 0 HG21 VAL A 43 -4.359 -2.604 1.327 1.00 2.32 H new ATOM 0 HG22 VAL A 43 -4.406 -1.353 2.592 1.00 2.32 H new ATOM 0 HG23 VAL A 43 -5.208 -2.919 2.858 1.00 2.32 H new ATOM 682 N ARG A 44 -9.307 -0.728 1.367 1.00 63.41 N ATOM 683 CA ARG A 44 -10.449 -0.005 0.744 1.00 41.30 C ATOM 684 C ARG A 44 -11.275 0.753 1.811 1.00 23.21 C ATOM 685 O ARG A 44 -11.982 1.704 1.491 1.00 73.21 O ATOM 686 CB ARG A 44 -11.384 -0.956 -0.058 1.00 72.02 C ATOM 687 CG ARG A 44 -12.145 -1.975 0.817 1.00 53.42 C ATOM 688 CD ARG A 44 -13.278 -2.704 0.092 1.00 5.15 C ATOM 689 NE ARG A 44 -12.814 -3.461 -1.087 1.00 21.14 N ATOM 690 CZ ARG A 44 -12.609 -4.788 -1.123 1.00 70.32 C ATOM 691 NH1 ARG A 44 -12.802 -5.541 -0.041 1.00 14.24 N ATOM 692 NH2 ARG A 44 -12.239 -5.360 -2.259 1.00 34.03 N ATOM 0 H ARG A 44 -9.351 -1.742 1.266 1.00 63.41 H new ATOM 0 HA ARG A 44 -10.016 0.711 0.045 1.00 41.30 H new ATOM 0 HB2 ARG A 44 -12.107 -0.356 -0.611 1.00 72.02 H new ATOM 0 HB3 ARG A 44 -10.790 -1.497 -0.794 1.00 72.02 H new ATOM 0 HG2 ARG A 44 -11.437 -2.713 1.195 1.00 53.42 H new ATOM 0 HG3 ARG A 44 -12.557 -1.457 1.683 1.00 53.42 H new ATOM 0 HD2 ARG A 44 -13.766 -3.387 0.787 1.00 5.15 H new ATOM 0 HD3 ARG A 44 -14.028 -1.978 -0.221 1.00 5.15 H new ATOM 0 HE ARG A 44 -12.635 -2.935 -1.942 1.00 21.14 H new ATOM 0 HH11 ARG A 44 -13.110 -5.111 0.831 1.00 14.24 H new ATOM 0 HH12 ARG A 44 -12.642 -6.547 -0.085 1.00 14.24 H new ATOM 0 HH21 ARG A 44 -12.112 -4.793 -3.098 1.00 34.03 H new ATOM 0 HH22 ARG A 44 -12.081 -6.367 -2.295 1.00 34.03 H new ATOM 706 N GLU A 45 -11.172 0.303 3.074 1.00 50.53 N ATOM 707 CA GLU A 45 -11.855 0.923 4.209 1.00 72.52 C ATOM 708 C GLU A 45 -11.155 2.245 4.606 1.00 4.04 C ATOM 709 O GLU A 45 -11.807 3.270 4.828 1.00 51.10 O ATOM 710 CB GLU A 45 -11.886 -0.059 5.407 1.00 43.54 C ATOM 711 CG GLU A 45 -12.851 0.343 6.538 1.00 51.14 C ATOM 712 CD GLU A 45 -14.313 0.413 6.063 1.00 10.32 C ATOM 713 OE1 GLU A 45 -14.785 1.508 5.687 1.00 21.22 O ATOM 714 OE2 GLU A 45 -14.985 -0.639 6.006 1.00 12.10 O ATOM 0 H GLU A 45 -10.607 -0.507 3.331 1.00 50.53 H new ATOM 0 HA GLU A 45 -12.880 1.155 3.920 1.00 72.52 H new ATOM 0 HB2 GLU A 45 -12.165 -1.048 5.043 1.00 43.54 H new ATOM 0 HB3 GLU A 45 -10.880 -0.143 5.818 1.00 43.54 H new ATOM 0 HG2 GLU A 45 -12.771 -0.376 7.353 1.00 51.14 H new ATOM 0 HG3 GLU A 45 -12.555 1.313 6.938 1.00 51.14 H new ATOM 721 N HIS A 46 -9.808 2.201 4.675 1.00 22.42 N ATOM 722 CA HIS A 46 -8.973 3.387 4.988 1.00 53.45 C ATOM 723 C HIS A 46 -8.972 4.378 3.810 1.00 13.25 C ATOM 724 O HIS A 46 -8.698 5.565 3.986 1.00 32.31 O ATOM 725 CB HIS A 46 -7.525 2.966 5.352 1.00 25.31 C ATOM 726 CG HIS A 46 -7.443 2.051 6.543 1.00 3.23 C ATOM 727 ND1 HIS A 46 -6.577 0.979 6.613 1.00 70.44 N ATOM 728 CD2 HIS A 46 -8.136 2.044 7.710 1.00 12.35 C ATOM 729 CE1 HIS A 46 -6.745 0.355 7.760 1.00 22.10 C ATOM 730 NE2 HIS A 46 -7.681 0.982 8.440 1.00 2.23 N ATOM 0 H HIS A 46 -9.268 1.350 4.517 1.00 22.42 H new ATOM 0 HA HIS A 46 -9.407 3.886 5.855 1.00 53.45 H new ATOM 0 HB2 HIS A 46 -7.073 2.471 4.493 1.00 25.31 H new ATOM 0 HB3 HIS A 46 -6.935 3.861 5.551 1.00 25.31 H new ATOM 0 HD2 HIS A 46 -8.902 2.745 8.006 1.00 12.35 H new ATOM 0 HE1 HIS A 46 -6.206 -0.522 8.087 1.00 22.10 H new ATOM 0 HE2 HIS A 46 -8.015 0.717 9.367 1.00 2.23 H new ATOM 739 N ALA A 47 -9.271 3.845 2.618 1.00 72.40 N ATOM 740 CA ALA A 47 -9.484 4.625 1.399 1.00 60.20 C ATOM 741 C ALA A 47 -10.672 5.573 1.559 1.00 73.22 C ATOM 742 O ALA A 47 -10.607 6.735 1.163 1.00 63.40 O ATOM 743 CB ALA A 47 -9.743 3.676 0.229 1.00 54.51 C ATOM 0 H ALA A 47 -9.373 2.840 2.475 1.00 72.40 H new ATOM 0 HA ALA A 47 -8.591 5.220 1.207 1.00 60.20 H new ATOM 0 HB1 ALA A 47 -9.902 4.255 -0.681 1.00 54.51 H new ATOM 0 HB2 ALA A 47 -8.883 3.020 0.096 1.00 54.51 H new ATOM 0 HB3 ALA A 47 -10.629 3.076 0.437 1.00 54.51 H new ATOM 749 N ARG A 48 -11.752 5.033 2.152 1.00 61.13 N ATOM 750 CA ARG A 48 -12.995 5.775 2.416 1.00 53.53 C ATOM 751 C ARG A 48 -12.759 6.885 3.446 1.00 23.03 C ATOM 752 O ARG A 48 -13.373 7.932 3.358 1.00 14.21 O ATOM 753 CB ARG A 48 -14.108 4.813 2.903 1.00 25.51 C ATOM 754 CG ARG A 48 -14.477 3.716 1.889 1.00 53.34 C ATOM 755 CD ARG A 48 -15.499 2.709 2.437 1.00 42.04 C ATOM 756 NE ARG A 48 -15.696 1.588 1.500 1.00 11.13 N ATOM 757 CZ ARG A 48 -15.762 0.292 1.843 1.00 32.31 C ATOM 758 NH1 ARG A 48 -15.648 -0.083 3.115 1.00 55.23 N ATOM 759 NH2 ARG A 48 -15.923 -0.624 0.900 1.00 21.44 N ATOM 0 H ARG A 48 -11.785 4.062 2.463 1.00 61.13 H new ATOM 0 HA ARG A 48 -13.319 6.238 1.484 1.00 53.53 H new ATOM 0 HB2 ARG A 48 -13.785 4.341 3.831 1.00 25.51 H new ATOM 0 HB3 ARG A 48 -15.001 5.394 3.134 1.00 25.51 H new ATOM 0 HG2 ARG A 48 -14.881 4.181 0.990 1.00 53.34 H new ATOM 0 HG3 ARG A 48 -13.573 3.183 1.594 1.00 53.34 H new ATOM 0 HD2 ARG A 48 -15.158 2.327 3.399 1.00 42.04 H new ATOM 0 HD3 ARG A 48 -16.450 3.211 2.613 1.00 42.04 H new ATOM 0 HE ARG A 48 -15.790 1.816 0.510 1.00 11.13 H new ATOM 0 HH11 ARG A 48 -15.509 0.618 3.843 1.00 55.23 H new ATOM 0 HH12 ARG A 48 -15.700 -1.071 3.362 1.00 55.23 H new ATOM 0 HH21 ARG A 48 -15.996 -0.342 -0.078 1.00 21.44 H new ATOM 0 HH22 ARG A 48 -15.974 -1.611 1.151 1.00 21.44 H new ATOM 773 N GLU A 49 -11.857 6.624 4.412 1.00 62.44 N ATOM 774 CA GLU A 49 -11.473 7.604 5.450 1.00 54.32 C ATOM 775 C GLU A 49 -10.813 8.848 4.815 1.00 2.41 C ATOM 776 O GLU A 49 -11.195 9.984 5.115 1.00 54.35 O ATOM 777 CB GLU A 49 -10.512 6.940 6.471 1.00 31.54 C ATOM 778 CG GLU A 49 -11.105 5.719 7.207 1.00 51.34 C ATOM 779 CD GLU A 49 -12.299 6.074 8.115 1.00 10.33 C ATOM 780 OE1 GLU A 49 -12.072 6.584 9.238 1.00 43.34 O ATOM 781 OE2 GLU A 49 -13.459 5.851 7.722 1.00 63.23 O ATOM 0 H GLU A 49 -11.374 5.730 4.496 1.00 62.44 H new ATOM 0 HA GLU A 49 -12.373 7.931 5.971 1.00 54.32 H new ATOM 0 HB2 GLU A 49 -9.606 6.630 5.950 1.00 31.54 H new ATOM 0 HB3 GLU A 49 -10.215 7.685 7.209 1.00 31.54 H new ATOM 0 HG2 GLU A 49 -11.424 4.980 6.472 1.00 51.34 H new ATOM 0 HG3 GLU A 49 -10.325 5.253 7.810 1.00 51.34 H new ATOM 788 N LEU A 50 -9.840 8.596 3.911 1.00 12.44 N ATOM 789 CA LEU A 50 -9.094 9.658 3.197 1.00 41.32 C ATOM 790 C LEU A 50 -10.034 10.463 2.280 1.00 55.03 C ATOM 791 O LEU A 50 -10.122 11.687 2.374 1.00 24.12 O ATOM 792 CB LEU A 50 -7.941 9.030 2.355 1.00 11.43 C ATOM 793 CG LEU A 50 -6.876 8.207 3.142 1.00 3.33 C ATOM 794 CD1 LEU A 50 -5.787 7.651 2.201 1.00 72.31 C ATOM 795 CD2 LEU A 50 -6.256 9.031 4.282 1.00 33.12 C ATOM 0 H LEU A 50 -9.550 7.652 3.656 1.00 12.44 H new ATOM 0 HA LEU A 50 -8.669 10.335 3.938 1.00 41.32 H new ATOM 0 HB2 LEU A 50 -8.384 8.381 1.600 1.00 11.43 H new ATOM 0 HB3 LEU A 50 -7.429 9.833 1.825 1.00 11.43 H new ATOM 0 HG LEU A 50 -7.390 7.358 3.592 1.00 3.33 H new ATOM 0 HD11 LEU A 50 -5.060 7.082 2.781 1.00 72.31 H new ATOM 0 HD12 LEU A 50 -6.247 7.000 1.457 1.00 72.31 H new ATOM 0 HD13 LEU A 50 -5.284 8.477 1.699 1.00 72.31 H new ATOM 0 HD21 LEU A 50 -5.518 8.426 4.809 1.00 33.12 H new ATOM 0 HD22 LEU A 50 -5.772 9.916 3.869 1.00 33.12 H new ATOM 0 HD23 LEU A 50 -7.038 9.336 4.977 1.00 33.12 H new ATOM 807 N GLN A 51 -10.773 9.713 1.451 1.00 2.31 N ATOM 808 CA GLN A 51 -11.664 10.251 0.410 1.00 23.21 C ATOM 809 C GLN A 51 -12.806 11.095 1.025 1.00 55.23 C ATOM 810 O GLN A 51 -13.206 12.120 0.458 1.00 5.24 O ATOM 811 CB GLN A 51 -12.224 9.052 -0.403 1.00 44.34 C ATOM 812 CG GLN A 51 -13.007 9.416 -1.674 1.00 60.51 C ATOM 813 CD GLN A 51 -13.536 8.187 -2.422 1.00 42.42 C ATOM 814 OE1 GLN A 51 -13.885 7.171 -1.817 1.00 11.15 O ATOM 815 NE2 GLN A 51 -13.583 8.264 -3.741 1.00 50.30 N ATOM 0 H GLN A 51 -10.769 8.694 1.485 1.00 2.31 H new ATOM 0 HA GLN A 51 -11.107 10.920 -0.246 1.00 23.21 H new ATOM 0 HB2 GLN A 51 -11.392 8.407 -0.684 1.00 44.34 H new ATOM 0 HB3 GLN A 51 -12.875 8.468 0.248 1.00 44.34 H new ATOM 0 HG2 GLN A 51 -13.844 10.060 -1.407 1.00 60.51 H new ATOM 0 HG3 GLN A 51 -12.363 9.990 -2.339 1.00 60.51 H new ATOM 0 HE21 GLN A 51 -13.287 9.119 -4.213 1.00 50.30 H new ATOM 0 HE22 GLN A 51 -13.915 7.469 -4.287 1.00 50.30 H new ATOM 824 N LYS A 52 -13.277 10.658 2.211 1.00 64.44 N ATOM 825 CA LYS A 52 -14.356 11.318 2.985 1.00 61.24 C ATOM 826 C LYS A 52 -13.964 12.753 3.382 1.00 63.14 C ATOM 827 O LYS A 52 -14.764 13.688 3.273 1.00 55.34 O ATOM 828 CB LYS A 52 -14.634 10.479 4.261 1.00 22.12 C ATOM 829 CG LYS A 52 -15.788 10.958 5.159 1.00 23.42 C ATOM 830 CD LYS A 52 -15.881 10.125 6.462 1.00 53.01 C ATOM 831 CE LYS A 52 -17.116 10.471 7.307 1.00 31.42 C ATOM 832 NZ LYS A 52 -18.378 10.062 6.638 1.00 74.31 N ATOM 0 H LYS A 52 -12.914 9.822 2.668 1.00 64.44 H new ATOM 0 HA LYS A 52 -15.250 11.378 2.364 1.00 61.24 H new ATOM 0 HB2 LYS A 52 -14.842 9.453 3.956 1.00 22.12 H new ATOM 0 HB3 LYS A 52 -13.723 10.456 4.859 1.00 22.12 H new ATOM 0 HG2 LYS A 52 -15.643 12.009 5.408 1.00 23.42 H new ATOM 0 HG3 LYS A 52 -16.729 10.886 4.613 1.00 23.42 H new ATOM 0 HD2 LYS A 52 -15.906 9.065 6.208 1.00 53.01 H new ATOM 0 HD3 LYS A 52 -14.983 10.289 7.057 1.00 53.01 H new ATOM 0 HE2 LYS A 52 -17.043 9.977 8.276 1.00 31.42 H new ATOM 0 HE3 LYS A 52 -17.137 11.544 7.497 1.00 31.42 H new ATOM 0 HZ1 LYS A 52 -19.175 10.188 7.294 1.00 74.31 H new ATOM 0 HZ2 LYS A 52 -18.529 10.649 5.793 1.00 74.31 H new ATOM 0 HZ3 LYS A 52 -18.314 9.062 6.358 1.00 74.31 H new ATOM 846 N GLN A 53 -12.708 12.900 3.826 1.00 32.32 N ATOM 847 CA GLN A 53 -12.160 14.181 4.306 1.00 1.04 C ATOM 848 C GLN A 53 -11.661 15.047 3.137 1.00 33.02 C ATOM 849 O GLN A 53 -11.427 16.246 3.308 1.00 15.44 O ATOM 850 CB GLN A 53 -11.005 13.901 5.299 1.00 30.23 C ATOM 851 CG GLN A 53 -11.428 13.081 6.532 1.00 13.14 C ATOM 852 CD GLN A 53 -10.242 12.691 7.412 1.00 73.11 C ATOM 853 OE1 GLN A 53 -9.852 13.425 8.320 1.00 22.31 O ATOM 854 NE2 GLN A 53 -9.649 11.538 7.142 1.00 52.13 N ATOM 0 H GLN A 53 -12.039 12.131 3.863 1.00 32.32 H new ATOM 0 HA GLN A 53 -12.953 14.734 4.811 1.00 1.04 H new ATOM 0 HB2 GLN A 53 -10.210 13.369 4.776 1.00 30.23 H new ATOM 0 HB3 GLN A 53 -10.587 14.851 5.632 1.00 30.23 H new ATOM 0 HG2 GLN A 53 -12.139 13.659 7.122 1.00 13.14 H new ATOM 0 HG3 GLN A 53 -11.945 12.179 6.204 1.00 13.14 H new ATOM 0 HE21 GLN A 53 -9.996 10.952 6.383 1.00 52.13 H new ATOM 0 HE22 GLN A 53 -8.846 11.236 7.693 1.00 52.13 H new ATOM 863 N GLY A 54 -11.499 14.425 1.956 1.00 12.35 N ATOM 864 CA GLY A 54 -10.935 15.094 0.784 1.00 12.31 C ATOM 865 C GLY A 54 -9.411 15.051 0.753 1.00 13.10 C ATOM 866 O GLY A 54 -8.781 15.848 0.042 1.00 14.41 O ATOM 0 H GLY A 54 -11.755 13.451 1.794 1.00 12.35 H new ATOM 0 HA2 GLY A 54 -11.325 14.625 -0.119 1.00 12.31 H new ATOM 0 HA3 GLY A 54 -11.265 16.133 0.771 1.00 12.31 H new ATOM 870 N ILE A 55 -8.818 14.120 1.539 1.00 23.25 N ATOM 871 CA ILE A 55 -7.369 13.847 1.516 1.00 44.40 C ATOM 872 C ILE A 55 -7.018 13.138 0.195 1.00 12.12 C ATOM 873 O ILE A 55 -7.160 11.915 0.072 1.00 74.43 O ATOM 874 CB ILE A 55 -6.889 12.970 2.748 1.00 75.02 C ATOM 875 CG1 ILE A 55 -7.305 13.628 4.100 1.00 31.13 C ATOM 876 CG2 ILE A 55 -5.354 12.728 2.699 1.00 51.02 C ATOM 877 CD1 ILE A 55 -6.962 12.816 5.347 1.00 21.55 C ATOM 0 H ILE A 55 -9.333 13.542 2.203 1.00 23.25 H new ATOM 0 HA ILE A 55 -6.848 14.801 1.592 1.00 44.40 H new ATOM 0 HB ILE A 55 -7.384 12.001 2.679 1.00 75.02 H new ATOM 0 HG12 ILE A 55 -6.823 14.603 4.176 1.00 31.13 H new ATOM 0 HG13 ILE A 55 -8.380 13.805 4.085 1.00 31.13 H new ATOM 0 HG21 ILE A 55 -5.053 12.124 3.555 1.00 51.02 H new ATOM 0 HG22 ILE A 55 -5.097 12.205 1.778 1.00 51.02 H new ATOM 0 HG23 ILE A 55 -4.834 13.685 2.729 1.00 51.02 H new ATOM 0 HD11 ILE A 55 -7.291 13.356 6.235 1.00 21.55 H new ATOM 0 HD12 ILE A 55 -7.466 11.851 5.303 1.00 21.55 H new ATOM 0 HD13 ILE A 55 -5.884 12.661 5.395 1.00 21.55 H new ATOM 889 N HIS A 56 -6.664 13.943 -0.811 1.00 4.13 N ATOM 890 CA HIS A 56 -6.170 13.455 -2.107 1.00 4.33 C ATOM 891 C HIS A 56 -4.649 13.385 -2.060 1.00 22.41 C ATOM 892 O HIS A 56 -4.025 14.090 -1.272 1.00 41.01 O ATOM 893 CB HIS A 56 -6.640 14.384 -3.245 1.00 5.34 C ATOM 894 CG HIS A 56 -8.131 14.393 -3.436 1.00 71.55 C ATOM 895 ND1 HIS A 56 -8.968 15.263 -2.775 1.00 25.35 N ATOM 896 CD2 HIS A 56 -8.934 13.619 -4.204 1.00 64.34 C ATOM 897 CE1 HIS A 56 -10.212 15.027 -3.127 1.00 62.11 C ATOM 898 NE2 HIS A 56 -10.216 14.039 -3.995 1.00 34.02 N ATOM 0 H HIS A 56 -6.712 14.960 -0.751 1.00 4.13 H new ATOM 0 HA HIS A 56 -6.571 12.460 -2.302 1.00 4.33 H new ATOM 0 HB2 HIS A 56 -6.302 15.399 -3.037 1.00 5.34 H new ATOM 0 HB3 HIS A 56 -6.165 14.074 -4.176 1.00 5.34 H new ATOM 0 HD1 HIS A 56 -8.669 15.980 -2.114 1.00 25.35 H new ATOM 0 HD2 HIS A 56 -8.619 12.820 -4.859 1.00 64.34 H new ATOM 0 HE1 HIS A 56 -11.082 15.554 -2.765 1.00 62.11 H new ATOM 907 N PHE A 57 -4.065 12.494 -2.864 1.00 14.15 N ATOM 908 CA PHE A 57 -2.610 12.358 -2.995 1.00 32.12 C ATOM 909 C PHE A 57 -2.240 11.873 -4.405 1.00 41.42 C ATOM 910 O PHE A 57 -3.109 11.474 -5.189 1.00 3.43 O ATOM 911 CB PHE A 57 -2.034 11.405 -1.902 1.00 63.12 C ATOM 912 CG PHE A 57 -2.620 9.996 -1.939 1.00 4.24 C ATOM 913 CD1 PHE A 57 -2.117 9.039 -2.821 1.00 74.14 C ATOM 914 CD2 PHE A 57 -3.682 9.632 -1.113 1.00 53.33 C ATOM 915 CE1 PHE A 57 -2.647 7.781 -2.882 1.00 54.43 C ATOM 916 CE2 PHE A 57 -4.208 8.364 -1.175 1.00 3.30 C ATOM 917 CZ PHE A 57 -3.686 7.444 -2.061 1.00 52.11 C ATOM 0 H PHE A 57 -4.590 11.842 -3.447 1.00 14.15 H new ATOM 0 HA PHE A 57 -2.161 13.340 -2.844 1.00 32.12 H new ATOM 0 HB2 PHE A 57 -0.953 11.341 -2.023 1.00 63.12 H new ATOM 0 HB3 PHE A 57 -2.220 11.840 -0.920 1.00 63.12 H new ATOM 0 HD1 PHE A 57 -1.292 9.298 -3.468 1.00 74.14 H new ATOM 0 HD2 PHE A 57 -4.094 10.351 -0.420 1.00 53.33 H new ATOM 0 HE1 PHE A 57 -2.247 7.057 -3.576 1.00 54.43 H new ATOM 0 HE2 PHE A 57 -5.029 8.088 -0.531 1.00 3.30 H new ATOM 0 HZ PHE A 57 -4.102 6.449 -2.106 1.00 52.11 H new ATOM 927 N GLU A 58 -0.939 11.909 -4.703 1.00 24.12 N ATOM 928 CA GLU A 58 -0.350 11.223 -5.855 1.00 60.12 C ATOM 929 C GLU A 58 1.005 10.641 -5.435 1.00 55.14 C ATOM 930 O GLU A 58 1.759 11.300 -4.709 1.00 1.25 O ATOM 931 CB GLU A 58 -0.184 12.182 -7.071 1.00 45.02 C ATOM 932 CG GLU A 58 0.311 11.504 -8.374 1.00 62.13 C ATOM 933 CD GLU A 58 -0.605 10.353 -8.851 1.00 2.24 C ATOM 934 OE1 GLU A 58 -0.373 9.181 -8.472 1.00 35.31 O ATOM 935 OE2 GLU A 58 -1.591 10.620 -9.582 1.00 51.30 O ATOM 0 H GLU A 58 -0.257 12.422 -4.144 1.00 24.12 H new ATOM 0 HA GLU A 58 -1.018 10.423 -6.173 1.00 60.12 H new ATOM 0 HB2 GLU A 58 -1.142 12.662 -7.270 1.00 45.02 H new ATOM 0 HB3 GLU A 58 0.518 12.971 -6.800 1.00 45.02 H new ATOM 0 HG2 GLU A 58 0.380 12.254 -9.162 1.00 62.13 H new ATOM 0 HG3 GLU A 58 1.317 11.116 -8.214 1.00 62.13 H new ATOM 942 N VAL A 59 1.291 9.403 -5.873 1.00 60.22 N ATOM 943 CA VAL A 59 2.579 8.739 -5.613 1.00 74.44 C ATOM 944 C VAL A 59 3.708 9.461 -6.386 1.00 54.53 C ATOM 945 O VAL A 59 3.522 9.887 -7.531 1.00 24.52 O ATOM 946 CB VAL A 59 2.530 7.201 -5.971 1.00 40.05 C ATOM 947 CG1 VAL A 59 2.092 6.957 -7.434 1.00 41.20 C ATOM 948 CG2 VAL A 59 3.880 6.506 -5.669 1.00 12.51 C ATOM 0 H VAL A 59 0.638 8.837 -6.415 1.00 60.22 H new ATOM 0 HA VAL A 59 2.787 8.805 -4.545 1.00 74.44 H new ATOM 0 HB VAL A 59 1.772 6.752 -5.329 1.00 40.05 H new ATOM 0 HG11 VAL A 59 2.073 5.886 -7.634 1.00 41.20 H new ATOM 0 HG12 VAL A 59 1.097 7.373 -7.590 1.00 41.20 H new ATOM 0 HG13 VAL A 59 2.797 7.440 -8.110 1.00 41.20 H new ATOM 0 HG21 VAL A 59 3.811 5.449 -5.927 1.00 12.51 H new ATOM 0 HG22 VAL A 59 4.669 6.973 -6.258 1.00 12.51 H new ATOM 0 HG23 VAL A 59 4.112 6.606 -4.609 1.00 12.51 H new ATOM 958 N LYS A 60 4.862 9.638 -5.720 1.00 52.04 N ATOM 959 CA LYS A 60 6.012 10.400 -6.255 1.00 22.34 C ATOM 960 C LYS A 60 7.235 9.503 -6.459 1.00 11.45 C ATOM 961 O LYS A 60 7.939 9.619 -7.475 1.00 73.14 O ATOM 962 CB LYS A 60 6.349 11.557 -5.280 1.00 55.10 C ATOM 963 CG LYS A 60 5.239 12.613 -5.180 1.00 72.54 C ATOM 964 CD LYS A 60 5.027 13.386 -6.505 1.00 1.43 C ATOM 965 CE LYS A 60 6.240 14.254 -6.871 1.00 62.15 C ATOM 966 NZ LYS A 60 6.027 15.041 -8.109 1.00 1.24 N ATOM 0 H LYS A 60 5.028 9.255 -4.789 1.00 52.04 H new ATOM 0 HA LYS A 60 5.740 10.804 -7.230 1.00 22.34 H new ATOM 0 HB2 LYS A 60 6.538 11.144 -4.289 1.00 55.10 H new ATOM 0 HB3 LYS A 60 7.271 12.039 -5.605 1.00 55.10 H new ATOM 0 HG2 LYS A 60 4.306 12.127 -4.894 1.00 72.54 H new ATOM 0 HG3 LYS A 60 5.486 13.320 -4.388 1.00 72.54 H new ATOM 0 HD2 LYS A 60 4.833 12.677 -7.310 1.00 1.43 H new ATOM 0 HD3 LYS A 60 4.143 14.018 -6.417 1.00 1.43 H new ATOM 0 HE2 LYS A 60 6.458 14.933 -6.047 1.00 62.15 H new ATOM 0 HE3 LYS A 60 7.114 13.615 -6.997 1.00 62.15 H new ATOM 0 HZ1 LYS A 60 6.875 15.608 -8.310 1.00 1.24 H new ATOM 0 HZ2 LYS A 60 5.846 14.395 -8.904 1.00 1.24 H new ATOM 0 HZ3 LYS A 60 5.210 15.672 -7.983 1.00 1.24 H new ATOM 980 N ARG A 61 7.481 8.624 -5.483 1.00 14.32 N ATOM 981 CA ARG A 61 8.661 7.753 -5.479 1.00 32.12 C ATOM 982 C ARG A 61 8.407 6.535 -4.598 1.00 43.40 C ATOM 983 O ARG A 61 8.102 6.694 -3.425 1.00 22.12 O ATOM 984 CB ARG A 61 9.893 8.568 -4.985 1.00 50.13 C ATOM 985 CG ARG A 61 11.153 7.734 -4.637 1.00 21.12 C ATOM 986 CD ARG A 61 12.472 8.493 -4.877 1.00 72.34 C ATOM 987 NE ARG A 61 12.713 8.714 -6.324 1.00 54.02 N ATOM 988 CZ ARG A 61 12.597 9.886 -6.981 1.00 54.52 C ATOM 989 NH1 ARG A 61 12.238 11.004 -6.348 1.00 50.24 N ATOM 990 NH2 ARG A 61 12.831 9.925 -8.284 1.00 72.44 N ATOM 0 H ARG A 61 6.870 8.496 -4.676 1.00 14.32 H new ATOM 0 HA ARG A 61 8.865 7.393 -6.488 1.00 32.12 H new ATOM 0 HB2 ARG A 61 10.160 9.292 -5.755 1.00 50.13 H new ATOM 0 HB3 ARG A 61 9.600 9.136 -4.102 1.00 50.13 H new ATOM 0 HG2 ARG A 61 11.102 7.430 -3.591 1.00 21.12 H new ATOM 0 HG3 ARG A 61 11.153 6.822 -5.234 1.00 21.12 H new ATOM 0 HD2 ARG A 61 12.441 9.453 -4.361 1.00 72.34 H new ATOM 0 HD3 ARG A 61 13.301 7.929 -4.450 1.00 72.34 H new ATOM 0 HE ARG A 61 12.993 7.902 -6.874 1.00 54.02 H new ATOM 0 HH11 ARG A 61 12.045 10.984 -5.347 1.00 50.24 H new ATOM 0 HH12 ARG A 61 12.157 11.879 -6.865 1.00 50.24 H new ATOM 0 HH21 ARG A 61 13.096 9.074 -8.780 1.00 72.44 H new ATOM 0 HH22 ARG A 61 12.746 10.806 -8.791 1.00 72.44 H new ATOM 1004 N VAL A 62 8.559 5.330 -5.178 1.00 64.12 N ATOM 1005 CA VAL A 62 8.418 4.046 -4.465 1.00 70.32 C ATOM 1006 C VAL A 62 9.813 3.430 -4.304 1.00 61.24 C ATOM 1007 O VAL A 62 10.414 2.980 -5.289 1.00 34.24 O ATOM 1008 CB VAL A 62 7.485 3.033 -5.248 1.00 72.43 C ATOM 1009 CG1 VAL A 62 7.296 1.699 -4.476 1.00 52.42 C ATOM 1010 CG2 VAL A 62 6.120 3.670 -5.584 1.00 65.33 C ATOM 0 H VAL A 62 8.786 5.219 -6.166 1.00 64.12 H new ATOM 0 HA VAL A 62 7.956 4.236 -3.496 1.00 70.32 H new ATOM 0 HB VAL A 62 7.990 2.799 -6.185 1.00 72.43 H new ATOM 0 HG11 VAL A 62 6.649 1.035 -5.050 1.00 52.42 H new ATOM 0 HG12 VAL A 62 8.266 1.223 -4.329 1.00 52.42 H new ATOM 0 HG13 VAL A 62 6.840 1.901 -3.507 1.00 52.42 H new ATOM 0 HG21 VAL A 62 5.504 2.949 -6.121 1.00 65.33 H new ATOM 0 HG22 VAL A 62 5.617 3.961 -4.662 1.00 65.33 H new ATOM 0 HG23 VAL A 62 6.273 4.551 -6.207 1.00 65.33 H new ATOM 1020 N GLU A 63 10.336 3.445 -3.075 1.00 12.11 N ATOM 1021 CA GLU A 63 11.611 2.800 -2.735 1.00 62.23 C ATOM 1022 C GLU A 63 11.325 1.438 -2.102 1.00 34.03 C ATOM 1023 O GLU A 63 10.584 1.356 -1.121 1.00 52.43 O ATOM 1024 CB GLU A 63 12.428 3.678 -1.754 1.00 13.13 C ATOM 1025 CG GLU A 63 12.826 5.060 -2.304 1.00 54.01 C ATOM 1026 CD GLU A 63 13.511 5.939 -1.246 1.00 45.42 C ATOM 1027 OE1 GLU A 63 14.748 5.865 -1.099 1.00 44.44 O ATOM 1028 OE2 GLU A 63 12.811 6.690 -0.545 1.00 4.14 O ATOM 0 H GLU A 63 9.887 3.906 -2.284 1.00 12.11 H new ATOM 0 HA GLU A 63 12.199 2.672 -3.644 1.00 62.23 H new ATOM 0 HB2 GLU A 63 11.846 3.819 -0.843 1.00 13.13 H new ATOM 0 HB3 GLU A 63 13.333 3.139 -1.474 1.00 13.13 H new ATOM 0 HG2 GLU A 63 13.497 4.930 -3.153 1.00 54.01 H new ATOM 0 HG3 GLU A 63 11.937 5.570 -2.675 1.00 54.01 H new ATOM 1035 N VAL A 64 11.890 0.377 -2.684 1.00 4.14 N ATOM 1036 CA VAL A 64 11.804 -0.985 -2.137 1.00 3.21 C ATOM 1037 C VAL A 64 13.104 -1.295 -1.366 1.00 23.21 C ATOM 1038 O VAL A 64 14.205 -1.039 -1.864 1.00 33.33 O ATOM 1039 CB VAL A 64 11.530 -2.043 -3.281 1.00 55.12 C ATOM 1040 CG1 VAL A 64 12.604 -2.002 -4.401 1.00 21.35 C ATOM 1041 CG2 VAL A 64 11.357 -3.470 -2.702 1.00 25.00 C ATOM 0 H VAL A 64 12.423 0.436 -3.552 1.00 4.14 H new ATOM 0 HA VAL A 64 10.962 -1.051 -1.448 1.00 3.21 H new ATOM 0 HB VAL A 64 10.588 -1.761 -3.750 1.00 55.12 H new ATOM 0 HG11 VAL A 64 12.367 -2.748 -5.160 1.00 21.35 H new ATOM 0 HG12 VAL A 64 12.617 -1.012 -4.857 1.00 21.35 H new ATOM 0 HG13 VAL A 64 13.583 -2.217 -3.974 1.00 21.35 H new ATOM 0 HG21 VAL A 64 11.170 -4.172 -3.515 1.00 25.00 H new ATOM 0 HG22 VAL A 64 12.265 -3.760 -2.173 1.00 25.00 H new ATOM 0 HG23 VAL A 64 10.514 -3.482 -2.011 1.00 25.00 H new ATOM 1051 N THR A 65 12.970 -1.761 -0.114 1.00 60.12 N ATOM 1052 CA THR A 65 14.108 -2.173 0.719 1.00 44.22 C ATOM 1053 C THR A 65 13.749 -3.464 1.457 1.00 54.32 C ATOM 1054 O THR A 65 12.811 -3.496 2.251 1.00 0.10 O ATOM 1055 CB THR A 65 14.490 -1.043 1.733 1.00 12.02 C ATOM 1056 OG1 THR A 65 14.818 0.155 1.005 1.00 71.41 O ATOM 1057 CG2 THR A 65 15.678 -1.429 2.634 1.00 25.53 C ATOM 0 H THR A 65 12.067 -1.862 0.349 1.00 60.12 H new ATOM 0 HA THR A 65 14.974 -2.352 0.082 1.00 44.22 H new ATOM 0 HB THR A 65 13.629 -0.883 2.381 1.00 12.02 H new ATOM 0 HG1 THR A 65 15.056 0.866 1.636 1.00 71.41 H new ATOM 0 HG21 THR A 65 15.899 -0.608 3.317 1.00 25.53 H new ATOM 0 HG22 THR A 65 15.425 -2.320 3.208 1.00 25.53 H new ATOM 0 HG23 THR A 65 16.553 -1.632 2.016 1.00 25.53 H new ATOM 1065 N THR A 66 14.502 -4.529 1.174 1.00 65.22 N ATOM 1066 CA THR A 66 14.300 -5.852 1.767 1.00 51.14 C ATOM 1067 C THR A 66 15.121 -5.975 3.062 1.00 53.52 C ATOM 1068 O THR A 66 16.356 -5.917 3.036 1.00 52.21 O ATOM 1069 CB THR A 66 14.684 -6.956 0.735 1.00 72.24 C ATOM 1070 OG1 THR A 66 15.975 -6.672 0.165 1.00 15.32 O ATOM 1071 CG2 THR A 66 13.641 -7.058 -0.390 1.00 3.45 C ATOM 0 H THR A 66 15.281 -4.496 0.516 1.00 65.22 H new ATOM 0 HA THR A 66 13.249 -5.985 2.025 1.00 51.14 H new ATOM 0 HB THR A 66 14.716 -7.909 1.264 1.00 72.24 H new ATOM 0 HG1 THR A 66 16.585 -6.372 0.871 1.00 15.32 H new ATOM 0 HG21 THR A 66 13.938 -7.837 -1.092 1.00 3.45 H new ATOM 0 HG22 THR A 66 12.669 -7.306 0.036 1.00 3.45 H new ATOM 0 HG23 THR A 66 13.575 -6.104 -0.913 1.00 3.45 H new ATOM 1079 N ASP A 67 14.413 -6.107 4.193 1.00 15.43 N ATOM 1080 CA ASP A 67 15.000 -6.139 5.546 1.00 54.11 C ATOM 1081 C ASP A 67 14.776 -7.535 6.160 1.00 53.41 C ATOM 1082 O ASP A 67 13.726 -7.803 6.766 1.00 55.32 O ATOM 1083 CB ASP A 67 14.354 -5.017 6.404 1.00 41.23 C ATOM 1084 CG ASP A 67 14.939 -4.884 7.822 1.00 53.23 C ATOM 1085 OD1 ASP A 67 14.322 -5.369 8.794 1.00 65.12 O ATOM 1086 OD2 ASP A 67 16.029 -4.283 7.970 1.00 75.22 O ATOM 0 H ASP A 67 13.397 -6.196 4.196 1.00 15.43 H new ATOM 0 HA ASP A 67 16.074 -5.958 5.508 1.00 54.11 H new ATOM 0 HB2 ASP A 67 14.472 -4.066 5.885 1.00 41.23 H new ATOM 0 HB3 ASP A 67 13.284 -5.207 6.482 1.00 41.23 H new ATOM 1091 N GLY A 68 15.757 -8.429 5.940 1.00 51.03 N ATOM 1092 CA GLY A 68 15.679 -9.821 6.376 1.00 5.10 C ATOM 1093 C GLY A 68 14.644 -10.624 5.584 1.00 24.40 C ATOM 1094 O GLY A 68 14.868 -10.957 4.417 1.00 3.51 O ATOM 0 H GLY A 68 16.624 -8.199 5.454 1.00 51.03 H new ATOM 0 HA2 GLY A 68 16.658 -10.288 6.267 1.00 5.10 H new ATOM 0 HA3 GLY A 68 15.426 -9.853 7.436 1.00 5.10 H new ATOM 1098 N ASN A 69 13.493 -10.904 6.220 1.00 1.52 N ATOM 1099 CA ASN A 69 12.364 -11.653 5.613 1.00 24.42 C ATOM 1100 C ASN A 69 11.125 -10.740 5.477 1.00 44.23 C ATOM 1101 O ASN A 69 10.016 -11.217 5.244 1.00 11.24 O ATOM 1102 CB ASN A 69 12.024 -12.905 6.484 1.00 60.23 C ATOM 1103 CG ASN A 69 13.199 -13.881 6.666 1.00 42.01 C ATOM 1104 OD1 ASN A 69 14.086 -13.995 5.816 1.00 12.32 O ATOM 1105 ND2 ASN A 69 13.197 -14.615 7.772 1.00 25.53 N ATOM 0 H ASN A 69 13.312 -10.616 7.182 1.00 1.52 H new ATOM 0 HA ASN A 69 12.658 -11.986 4.618 1.00 24.42 H new ATOM 0 HB2 ASN A 69 11.688 -12.571 7.466 1.00 60.23 H new ATOM 0 HB3 ASN A 69 11.191 -13.438 6.026 1.00 60.23 H new ATOM 0 HD21 ASN A 69 13.941 -15.293 7.935 1.00 25.53 H new ATOM 0 HD22 ASN A 69 12.451 -14.501 8.459 1.00 25.53 H new ATOM 1112 N THR A 70 11.326 -9.423 5.615 1.00 0.11 N ATOM 1113 CA THR A 70 10.236 -8.432 5.605 1.00 44.21 C ATOM 1114 C THR A 70 10.584 -7.268 4.661 1.00 43.41 C ATOM 1115 O THR A 70 11.615 -6.611 4.835 1.00 52.54 O ATOM 1116 CB THR A 70 9.972 -7.913 7.060 1.00 54.55 C ATOM 1117 OG1 THR A 70 9.583 -9.015 7.904 1.00 54.13 O ATOM 1118 CG2 THR A 70 8.893 -6.825 7.104 1.00 33.44 C ATOM 0 H THR A 70 12.251 -9.011 5.737 1.00 0.11 H new ATOM 0 HA THR A 70 9.326 -8.906 5.238 1.00 44.21 H new ATOM 0 HB THR A 70 10.899 -7.469 7.422 1.00 54.55 H new ATOM 0 HG1 THR A 70 9.420 -8.689 8.814 1.00 54.13 H new ATOM 0 HG21 THR A 70 8.747 -6.499 8.134 1.00 33.44 H new ATOM 0 HG22 THR A 70 9.207 -5.977 6.496 1.00 33.44 H new ATOM 0 HG23 THR A 70 7.957 -7.225 6.714 1.00 33.44 H new ATOM 1126 N VAL A 71 9.716 -7.014 3.659 1.00 31.44 N ATOM 1127 CA VAL A 71 9.933 -5.952 2.661 1.00 12.41 C ATOM 1128 C VAL A 71 9.306 -4.637 3.155 1.00 13.44 C ATOM 1129 O VAL A 71 8.088 -4.534 3.321 1.00 62.30 O ATOM 1130 CB VAL A 71 9.348 -6.329 1.259 1.00 52.10 C ATOM 1131 CG1 VAL A 71 9.628 -5.215 0.217 1.00 21.00 C ATOM 1132 CG2 VAL A 71 9.889 -7.695 0.784 1.00 25.22 C ATOM 0 H VAL A 71 8.851 -7.537 3.522 1.00 31.44 H new ATOM 0 HA VAL A 71 11.009 -5.828 2.542 1.00 12.41 H new ATOM 0 HB VAL A 71 8.266 -6.418 1.359 1.00 52.10 H new ATOM 0 HG11 VAL A 71 9.210 -5.505 -0.747 1.00 21.00 H new ATOM 0 HG12 VAL A 71 9.167 -4.284 0.547 1.00 21.00 H new ATOM 0 HG13 VAL A 71 10.704 -5.072 0.118 1.00 21.00 H new ATOM 0 HG21 VAL A 71 9.467 -7.934 -0.192 1.00 25.22 H new ATOM 0 HG22 VAL A 71 10.975 -7.650 0.709 1.00 25.22 H new ATOM 0 HG23 VAL A 71 9.607 -8.467 1.500 1.00 25.22 H new ATOM 1142 N ASN A 72 10.167 -3.651 3.392 1.00 11.23 N ATOM 1143 CA ASN A 72 9.793 -2.314 3.857 1.00 73.51 C ATOM 1144 C ASN A 72 9.839 -1.343 2.667 1.00 34.25 C ATOM 1145 O ASN A 72 10.919 -1.027 2.146 1.00 5.34 O ATOM 1146 CB ASN A 72 10.762 -1.882 4.988 1.00 51.21 C ATOM 1147 CG ASN A 72 10.657 -2.803 6.208 1.00 44.14 C ATOM 1148 OD1 ASN A 72 9.946 -2.512 7.163 1.00 20.01 O ATOM 1149 ND2 ASN A 72 11.324 -3.944 6.161 1.00 53.51 N ATOM 0 H ASN A 72 11.173 -3.761 3.263 1.00 11.23 H new ATOM 0 HA ASN A 72 8.780 -2.311 4.260 1.00 73.51 H new ATOM 0 HB2 ASN A 72 11.785 -1.890 4.613 1.00 51.21 H new ATOM 0 HB3 ASN A 72 10.540 -0.857 5.286 1.00 51.21 H new ATOM 0 HD21 ASN A 72 11.254 -4.608 6.932 1.00 53.51 H new ATOM 0 HD22 ASN A 72 11.908 -4.160 5.353 1.00 53.51 H new ATOM 1156 N VAL A 73 8.648 -0.944 2.196 1.00 53.44 N ATOM 1157 CA VAL A 73 8.491 0.005 1.086 1.00 64.02 C ATOM 1158 C VAL A 73 8.376 1.438 1.640 1.00 1.05 C ATOM 1159 O VAL A 73 7.388 1.783 2.291 1.00 64.31 O ATOM 1160 CB VAL A 73 7.234 -0.340 0.206 1.00 2.53 C ATOM 1161 CG1 VAL A 73 7.051 0.688 -0.940 1.00 71.12 C ATOM 1162 CG2 VAL A 73 7.327 -1.787 -0.341 1.00 14.40 C ATOM 0 H VAL A 73 7.761 -1.274 2.578 1.00 53.44 H new ATOM 0 HA VAL A 73 9.372 -0.069 0.448 1.00 64.02 H new ATOM 0 HB VAL A 73 6.350 -0.279 0.841 1.00 2.53 H new ATOM 0 HG11 VAL A 73 6.174 0.422 -1.530 1.00 71.12 H new ATOM 0 HG12 VAL A 73 6.916 1.684 -0.518 1.00 71.12 H new ATOM 0 HG13 VAL A 73 7.934 0.682 -1.579 1.00 71.12 H new ATOM 0 HG21 VAL A 73 6.447 -2.004 -0.947 1.00 14.40 H new ATOM 0 HG22 VAL A 73 8.223 -1.888 -0.953 1.00 14.40 H new ATOM 0 HG23 VAL A 73 7.376 -2.488 0.492 1.00 14.40 H new ATOM 1172 N THR A 74 9.412 2.252 1.400 1.00 60.45 N ATOM 1173 CA THR A 74 9.440 3.664 1.796 1.00 23.55 C ATOM 1174 C THR A 74 9.062 4.512 0.574 1.00 34.43 C ATOM 1175 O THR A 74 9.846 4.654 -0.358 1.00 25.12 O ATOM 1176 CB THR A 74 10.861 4.039 2.316 1.00 10.22 C ATOM 1177 OG1 THR A 74 11.256 3.091 3.325 1.00 33.41 O ATOM 1178 CG2 THR A 74 10.933 5.460 2.905 1.00 44.53 C ATOM 0 H THR A 74 10.260 1.946 0.922 1.00 60.45 H new ATOM 0 HA THR A 74 8.730 3.850 2.601 1.00 23.55 H new ATOM 0 HB THR A 74 11.535 4.012 1.460 1.00 10.22 H new ATOM 0 HG1 THR A 74 12.150 3.319 3.656 1.00 33.41 H new ATOM 0 HG21 THR A 74 11.948 5.660 3.249 1.00 44.53 H new ATOM 0 HG22 THR A 74 10.660 6.186 2.139 1.00 44.53 H new ATOM 0 HG23 THR A 74 10.242 5.541 3.744 1.00 44.53 H new ATOM 1186 N VAL A 75 7.841 5.041 0.569 1.00 52.21 N ATOM 1187 CA VAL A 75 7.260 5.710 -0.607 1.00 45.35 C ATOM 1188 C VAL A 75 6.820 7.134 -0.239 1.00 74.00 C ATOM 1189 O VAL A 75 6.130 7.330 0.750 1.00 73.14 O ATOM 1190 CB VAL A 75 6.062 4.856 -1.191 1.00 24.43 C ATOM 1191 CG1 VAL A 75 5.085 4.423 -0.086 1.00 50.02 C ATOM 1192 CG2 VAL A 75 5.322 5.589 -2.337 1.00 72.20 C ATOM 0 H VAL A 75 7.220 5.021 1.378 1.00 52.21 H new ATOM 0 HA VAL A 75 8.017 5.787 -1.388 1.00 45.35 H new ATOM 0 HB VAL A 75 6.501 3.955 -1.619 1.00 24.43 H new ATOM 0 HG11 VAL A 75 4.276 3.839 -0.524 1.00 50.02 H new ATOM 0 HG12 VAL A 75 5.613 3.816 0.650 1.00 50.02 H new ATOM 0 HG13 VAL A 75 4.672 5.306 0.401 1.00 50.02 H new ATOM 0 HG21 VAL A 75 4.509 4.963 -2.704 1.00 72.20 H new ATOM 0 HG22 VAL A 75 4.916 6.530 -1.965 1.00 72.20 H new ATOM 0 HG23 VAL A 75 6.020 5.791 -3.150 1.00 72.20 H new ATOM 1202 N GLU A 76 7.268 8.130 -1.019 1.00 70.22 N ATOM 1203 CA GLU A 76 6.865 9.531 -0.836 1.00 23.11 C ATOM 1204 C GLU A 76 5.641 9.842 -1.714 1.00 12.43 C ATOM 1205 O GLU A 76 5.577 9.412 -2.873 1.00 64.41 O ATOM 1206 CB GLU A 76 8.030 10.480 -1.180 1.00 24.53 C ATOM 1207 CG GLU A 76 7.693 11.964 -0.936 1.00 44.24 C ATOM 1208 CD GLU A 76 8.838 12.922 -1.262 1.00 62.14 C ATOM 1209 OE1 GLU A 76 8.854 13.488 -2.367 1.00 72.31 O ATOM 1210 OE2 GLU A 76 9.737 13.106 -0.414 1.00 61.42 O ATOM 0 H GLU A 76 7.918 7.986 -1.792 1.00 70.22 H new ATOM 0 HA GLU A 76 6.598 9.685 0.210 1.00 23.11 H new ATOM 0 HB2 GLU A 76 8.900 10.208 -0.583 1.00 24.53 H new ATOM 0 HB3 GLU A 76 8.305 10.343 -2.226 1.00 24.53 H new ATOM 0 HG2 GLU A 76 6.825 12.233 -1.538 1.00 44.24 H new ATOM 0 HG3 GLU A 76 7.409 12.095 0.108 1.00 44.24 H new ATOM 1217 N LEU A 77 4.658 10.571 -1.143 1.00 63.13 N ATOM 1218 CA LEU A 77 3.421 10.973 -1.841 1.00 32.41 C ATOM 1219 C LEU A 77 3.149 12.475 -1.607 1.00 14.22 C ATOM 1220 O LEU A 77 3.394 12.986 -0.515 1.00 20.21 O ATOM 1221 CB LEU A 77 2.189 10.140 -1.354 1.00 40.40 C ATOM 1222 CG LEU A 77 2.273 8.571 -1.511 1.00 40.41 C ATOM 1223 CD1 LEU A 77 3.049 7.904 -0.361 1.00 32.32 C ATOM 1224 CD2 LEU A 77 0.882 7.942 -1.640 1.00 2.04 C ATOM 0 H LEU A 77 4.702 10.899 -0.178 1.00 63.13 H new ATOM 0 HA LEU A 77 3.564 10.782 -2.905 1.00 32.41 H new ATOM 0 HB2 LEU A 77 2.023 10.366 -0.301 1.00 40.40 H new ATOM 0 HB3 LEU A 77 1.310 10.488 -1.897 1.00 40.40 H new ATOM 0 HG LEU A 77 2.826 8.390 -2.433 1.00 40.41 H new ATOM 0 HD11 LEU A 77 3.077 6.826 -0.518 1.00 32.32 H new ATOM 0 HD12 LEU A 77 4.067 8.293 -0.335 1.00 32.32 H new ATOM 0 HD13 LEU A 77 2.554 8.120 0.586 1.00 32.32 H new ATOM 0 HD21 LEU A 77 0.980 6.862 -1.746 1.00 2.04 H new ATOM 0 HD22 LEU A 77 0.297 8.167 -0.749 1.00 2.04 H new ATOM 0 HD23 LEU A 77 0.379 8.349 -2.517 1.00 2.04 H new ATOM 1236 N GLU A 78 2.657 13.168 -2.652 1.00 65.32 N ATOM 1237 CA GLU A 78 2.182 14.562 -2.560 1.00 43.45 C ATOM 1238 C GLU A 78 0.693 14.583 -2.200 1.00 71.03 C ATOM 1239 O GLU A 78 -0.161 14.326 -3.053 1.00 41.05 O ATOM 1240 CB GLU A 78 2.418 15.317 -3.905 1.00 41.23 C ATOM 1241 CG GLU A 78 3.864 15.808 -4.128 1.00 45.22 C ATOM 1242 CD GLU A 78 4.226 17.100 -3.383 1.00 50.55 C ATOM 1243 OE1 GLU A 78 4.614 18.088 -4.037 1.00 2.24 O ATOM 1244 OE2 GLU A 78 4.101 17.154 -2.149 1.00 23.42 O ATOM 0 H GLU A 78 2.578 12.774 -3.589 1.00 65.32 H new ATOM 0 HA GLU A 78 2.748 15.069 -1.778 1.00 43.45 H new ATOM 0 HB2 GLU A 78 2.142 14.658 -4.728 1.00 41.23 H new ATOM 0 HB3 GLU A 78 1.748 16.176 -3.946 1.00 41.23 H new ATOM 0 HG2 GLU A 78 4.552 15.021 -3.818 1.00 45.22 H new ATOM 0 HG3 GLU A 78 4.019 15.965 -5.195 1.00 45.22 H new ATOM 1251 N GLU A 79 0.396 14.907 -0.935 1.00 22.52 N ATOM 1252 CA GLU A 79 -0.977 14.982 -0.424 1.00 55.20 C ATOM 1253 C GLU A 79 -1.553 16.375 -0.703 1.00 62.41 C ATOM 1254 O GLU A 79 -1.165 17.367 -0.072 1.00 73.45 O ATOM 1255 CB GLU A 79 -1.039 14.650 1.092 1.00 62.45 C ATOM 1256 CG GLU A 79 -0.525 13.236 1.460 1.00 52.32 C ATOM 1257 CD GLU A 79 -0.992 12.772 2.852 1.00 13.41 C ATOM 1258 OE1 GLU A 79 -2.029 12.073 2.936 1.00 31.53 O ATOM 1259 OE2 GLU A 79 -0.357 13.129 3.868 1.00 42.43 O ATOM 0 H GLU A 79 1.105 15.125 -0.235 1.00 22.52 H new ATOM 0 HA GLU A 79 -1.580 14.236 -0.941 1.00 55.20 H new ATOM 0 HB2 GLU A 79 -0.453 15.390 1.638 1.00 62.45 H new ATOM 0 HB3 GLU A 79 -2.070 14.748 1.431 1.00 62.45 H new ATOM 0 HG2 GLU A 79 -0.869 12.523 0.711 1.00 52.32 H new ATOM 0 HG3 GLU A 79 0.565 13.231 1.428 1.00 52.32 H new ATOM 1266 N THR A 80 -2.475 16.429 -1.676 1.00 63.23 N ATOM 1267 CA THR A 80 -3.147 17.651 -2.100 1.00 5.22 C ATOM 1268 C THR A 80 -4.401 17.837 -1.224 1.00 62.13 C ATOM 1269 O THR A 80 -5.394 17.101 -1.358 1.00 4.44 O ATOM 1270 CB THR A 80 -3.546 17.578 -3.613 1.00 0.41 C ATOM 1271 OG1 THR A 80 -2.420 17.119 -4.386 1.00 22.10 O ATOM 1272 CG2 THR A 80 -4.024 18.945 -4.162 1.00 52.53 C ATOM 0 H THR A 80 -2.775 15.604 -2.196 1.00 63.23 H new ATOM 0 HA THR A 80 -2.473 18.499 -1.982 1.00 5.22 H new ATOM 0 HB THR A 80 -4.378 16.879 -3.699 1.00 0.41 H new ATOM 0 HG1 THR A 80 -2.670 17.072 -5.332 1.00 22.10 H new ATOM 0 HG21 THR A 80 -4.289 18.842 -5.214 1.00 52.53 H new ATOM 0 HG22 THR A 80 -4.896 19.278 -3.599 1.00 52.53 H new ATOM 0 HG23 THR A 80 -3.224 19.678 -4.059 1.00 52.53 H new ATOM 1280 N THR A 81 -4.303 18.775 -0.278 1.00 60.32 N ATOM 1281 CA THR A 81 -5.367 19.107 0.673 1.00 71.51 C ATOM 1282 C THR A 81 -5.345 20.624 0.939 1.00 41.11 C ATOM 1283 O THR A 81 -4.272 21.206 1.158 1.00 54.13 O ATOM 1284 CB THR A 81 -5.202 18.282 2.005 1.00 13.31 C ATOM 1285 OG1 THR A 81 -6.246 18.612 2.931 1.00 43.24 O ATOM 1286 CG2 THR A 81 -3.823 18.494 2.675 1.00 50.42 C ATOM 0 H THR A 81 -3.462 19.338 -0.149 1.00 60.32 H new ATOM 0 HA THR A 81 -6.335 18.838 0.250 1.00 71.51 H new ATOM 0 HB THR A 81 -5.271 17.230 1.730 1.00 13.31 H new ATOM 0 HG1 THR A 81 -6.131 18.091 3.753 1.00 43.24 H new ATOM 0 HG21 THR A 81 -3.767 17.901 3.588 1.00 50.42 H new ATOM 0 HG22 THR A 81 -3.034 18.182 1.991 1.00 50.42 H new ATOM 0 HG23 THR A 81 -3.695 19.549 2.919 1.00 50.42 H new ATOM 1294 N GLY A 82 -6.523 21.271 0.866 1.00 50.31 N ATOM 1295 CA GLY A 82 -6.625 22.727 1.023 1.00 4.32 C ATOM 1296 C GLY A 82 -5.967 23.496 -0.124 1.00 13.55 C ATOM 1297 O GLY A 82 -5.518 24.633 0.062 1.00 23.45 O ATOM 0 H GLY A 82 -7.415 20.805 0.699 1.00 50.31 H new ATOM 0 HA2 GLY A 82 -7.676 23.008 1.086 1.00 4.32 H new ATOM 0 HA3 GLY A 82 -6.160 23.020 1.964 1.00 4.32 H new ATOM 1301 N GLY A 83 -5.906 22.851 -1.309 1.00 35.51 N ATOM 1302 CA GLY A 83 -5.315 23.445 -2.513 1.00 23.10 C ATOM 1303 C GLY A 83 -3.781 23.459 -2.524 1.00 23.04 C ATOM 1304 O GLY A 83 -3.185 24.081 -3.409 1.00 42.55 O ATOM 0 H GLY A 83 -6.266 21.907 -1.451 1.00 35.51 H new ATOM 0 HA2 GLY A 83 -5.668 22.895 -3.386 1.00 23.10 H new ATOM 0 HA3 GLY A 83 -5.676 24.468 -2.614 1.00 23.10 H new ATOM 1308 N THR A 84 -3.141 22.796 -1.536 1.00 30.11 N ATOM 1309 CA THR A 84 -1.666 22.701 -1.441 1.00 1.11 C ATOM 1310 C THR A 84 -1.206 21.229 -1.302 1.00 15.31 C ATOM 1311 O THR A 84 -1.898 20.407 -0.694 1.00 61.34 O ATOM 1312 CB THR A 84 -1.112 23.568 -0.252 1.00 31.33 C ATOM 1313 OG1 THR A 84 0.321 23.493 -0.193 1.00 42.22 O ATOM 1314 CG2 THR A 84 -1.704 23.150 1.109 1.00 14.23 C ATOM 0 H THR A 84 -3.630 22.312 -0.783 1.00 30.11 H new ATOM 0 HA THR A 84 -1.255 23.099 -2.369 1.00 1.11 H new ATOM 0 HB THR A 84 -1.419 24.595 -0.449 1.00 31.33 H new ATOM 0 HG1 THR A 84 0.647 24.040 0.552 1.00 42.22 H new ATOM 0 HG21 THR A 84 -1.288 23.780 1.895 1.00 14.23 H new ATOM 0 HG22 THR A 84 -2.788 23.266 1.086 1.00 14.23 H new ATOM 0 HG23 THR A 84 -1.455 22.108 1.309 1.00 14.23 H new ATOM 1322 N THR A 85 -0.038 20.915 -1.885 1.00 41.23 N ATOM 1323 CA THR A 85 0.602 19.586 -1.796 1.00 71.04 C ATOM 1324 C THR A 85 1.556 19.507 -0.579 1.00 24.43 C ATOM 1325 O THR A 85 2.111 20.526 -0.150 1.00 73.55 O ATOM 1326 CB THR A 85 1.372 19.243 -3.125 1.00 43.34 C ATOM 1327 OG1 THR A 85 1.919 20.429 -3.715 1.00 75.03 O ATOM 1328 CG2 THR A 85 0.494 18.518 -4.159 1.00 3.13 C ATOM 0 H THR A 85 0.498 21.583 -2.439 1.00 41.23 H new ATOM 0 HA THR A 85 -0.187 18.847 -1.657 1.00 71.04 H new ATOM 0 HB THR A 85 2.175 18.563 -2.841 1.00 43.34 H new ATOM 0 HG1 THR A 85 2.289 21.003 -3.012 1.00 75.03 H new ATOM 0 HG21 THR A 85 1.082 18.309 -5.053 1.00 3.13 H new ATOM 0 HG22 THR A 85 0.132 17.581 -3.736 1.00 3.13 H new ATOM 0 HG23 THR A 85 -0.355 19.149 -4.422 1.00 3.13 H new ATOM 1336 N THR A 86 1.703 18.290 -0.016 1.00 44.32 N ATOM 1337 CA THR A 86 2.588 18.006 1.136 1.00 21.13 C ATOM 1338 C THR A 86 3.334 16.680 0.888 1.00 74.15 C ATOM 1339 O THR A 86 2.687 15.648 0.714 1.00 35.42 O ATOM 1340 CB THR A 86 1.751 17.881 2.456 1.00 34.42 C ATOM 1341 OG1 THR A 86 0.951 19.064 2.642 1.00 41.13 O ATOM 1342 CG2 THR A 86 2.635 17.645 3.699 1.00 72.42 C ATOM 0 H THR A 86 1.205 17.466 -0.352 1.00 44.32 H new ATOM 0 HA THR A 86 3.298 18.826 1.243 1.00 21.13 H new ATOM 0 HB THR A 86 1.108 17.008 2.348 1.00 34.42 H new ATOM 0 HG1 THR A 86 0.429 18.980 3.467 1.00 41.13 H new ATOM 0 HG21 THR A 86 2.004 17.566 4.584 1.00 72.42 H new ATOM 0 HG22 THR A 86 3.201 16.722 3.573 1.00 72.42 H new ATOM 0 HG23 THR A 86 3.325 18.480 3.819 1.00 72.42 H new ATOM 1350 N ASN A 87 4.693 16.699 0.891 1.00 12.35 N ATOM 1351 CA ASN A 87 5.482 15.464 0.721 1.00 24.12 C ATOM 1352 C ASN A 87 5.446 14.693 2.043 1.00 74.14 C ATOM 1353 O ASN A 87 6.148 15.037 3.004 1.00 34.40 O ATOM 1354 CB ASN A 87 6.960 15.751 0.327 1.00 34.23 C ATOM 1355 CG ASN A 87 7.126 16.553 -0.964 1.00 23.33 C ATOM 1356 OD1 ASN A 87 7.300 17.770 -0.931 1.00 40.33 O ATOM 1357 ND2 ASN A 87 7.075 15.883 -2.108 1.00 33.35 N ATOM 0 H ASN A 87 5.252 17.544 1.008 1.00 12.35 H new ATOM 0 HA ASN A 87 5.044 14.884 -0.091 1.00 24.12 H new ATOM 0 HB2 ASN A 87 7.441 16.293 1.141 1.00 34.23 H new ATOM 0 HB3 ASN A 87 7.486 14.802 0.221 1.00 34.23 H new ATOM 0 HD21 ASN A 87 7.181 16.377 -2.994 1.00 33.35 H new ATOM 0 HD22 ASN A 87 6.929 14.873 -2.102 1.00 33.35 H new ATOM 1364 N THR A 88 4.584 13.681 2.089 1.00 63.42 N ATOM 1365 CA THR A 88 4.426 12.804 3.243 1.00 24.12 C ATOM 1366 C THR A 88 4.863 11.388 2.858 1.00 41.53 C ATOM 1367 O THR A 88 4.343 10.805 1.895 1.00 11.11 O ATOM 1368 CB THR A 88 2.951 12.806 3.740 1.00 52.12 C ATOM 1369 OG1 THR A 88 2.511 14.161 3.944 1.00 45.03 O ATOM 1370 CG2 THR A 88 2.778 12.016 5.051 1.00 41.23 C ATOM 0 H THR A 88 3.966 13.444 1.313 1.00 63.42 H new ATOM 0 HA THR A 88 5.051 13.167 4.059 1.00 24.12 H new ATOM 0 HB THR A 88 2.348 12.319 2.973 1.00 52.12 H new ATOM 0 HG1 THR A 88 1.532 14.184 3.986 1.00 45.03 H new ATOM 0 HG21 THR A 88 1.733 12.046 5.358 1.00 41.23 H new ATOM 0 HG22 THR A 88 3.081 10.981 4.895 1.00 41.23 H new ATOM 0 HG23 THR A 88 3.398 12.462 5.829 1.00 41.23 H new ATOM 1378 N THR A 89 5.833 10.854 3.600 1.00 50.01 N ATOM 1379 CA THR A 89 6.392 9.533 3.338 1.00 71.34 C ATOM 1380 C THR A 89 5.599 8.470 4.115 1.00 61.42 C ATOM 1381 O THR A 89 5.434 8.582 5.317 1.00 3.21 O ATOM 1382 CB THR A 89 7.895 9.496 3.743 1.00 53.43 C ATOM 1383 OG1 THR A 89 8.580 10.600 3.122 1.00 33.35 O ATOM 1384 CG2 THR A 89 8.579 8.176 3.340 1.00 42.15 C ATOM 0 H THR A 89 6.252 11.328 4.400 1.00 50.01 H new ATOM 0 HA THR A 89 6.318 9.318 2.272 1.00 71.34 H new ATOM 0 HB THR A 89 7.947 9.572 4.829 1.00 53.43 H new ATOM 0 HG1 THR A 89 9.526 10.582 3.375 1.00 33.35 H new ATOM 0 HG21 THR A 89 9.625 8.201 3.645 1.00 42.15 H new ATOM 0 HG22 THR A 89 8.078 7.342 3.831 1.00 42.15 H new ATOM 0 HG23 THR A 89 8.519 8.050 2.259 1.00 42.15 H new ATOM 1392 N TYR A 90 5.085 7.468 3.413 1.00 54.50 N ATOM 1393 CA TYR A 90 4.423 6.308 4.013 1.00 5.41 C ATOM 1394 C TYR A 90 5.367 5.104 3.945 1.00 31.20 C ATOM 1395 O TYR A 90 5.923 4.803 2.892 1.00 70.22 O ATOM 1396 CB TYR A 90 3.087 6.019 3.282 1.00 15.25 C ATOM 1397 CG TYR A 90 1.975 7.042 3.589 1.00 34.14 C ATOM 1398 CD1 TYR A 90 2.005 8.333 3.057 1.00 25.13 C ATOM 1399 CD2 TYR A 90 0.897 6.705 4.408 1.00 21.34 C ATOM 1400 CE1 TYR A 90 1.016 9.250 3.344 1.00 50.11 C ATOM 1401 CE2 TYR A 90 -0.095 7.616 4.696 1.00 21.24 C ATOM 1402 CZ TYR A 90 -0.035 8.883 4.157 1.00 1.31 C ATOM 1403 OH TYR A 90 -1.020 9.787 4.453 1.00 62.20 O ATOM 0 H TYR A 90 5.115 7.434 2.394 1.00 54.50 H new ATOM 0 HA TYR A 90 4.190 6.512 5.058 1.00 5.41 H new ATOM 0 HB2 TYR A 90 3.268 6.004 2.207 1.00 15.25 H new ATOM 0 HB3 TYR A 90 2.739 5.024 3.560 1.00 15.25 H new ATOM 0 HD1 TYR A 90 2.819 8.619 2.408 1.00 25.13 H new ATOM 0 HD2 TYR A 90 0.839 5.710 4.824 1.00 21.34 H new ATOM 0 HE1 TYR A 90 1.064 10.248 2.935 1.00 50.11 H new ATOM 0 HE2 TYR A 90 -0.916 7.339 5.341 1.00 21.24 H new ATOM 0 HH TYR A 90 -1.210 10.334 3.663 1.00 62.20 H new ATOM 1413 N GLU A 91 5.590 4.453 5.094 1.00 5.13 N ATOM 1414 CA GLU A 91 6.396 3.223 5.179 1.00 41.43 C ATOM 1415 C GLU A 91 5.455 2.035 5.381 1.00 41.23 C ATOM 1416 O GLU A 91 4.767 1.955 6.399 1.00 43.25 O ATOM 1417 CB GLU A 91 7.422 3.323 6.335 1.00 71.02 C ATOM 1418 CG GLU A 91 8.458 4.451 6.167 1.00 23.12 C ATOM 1419 CD GLU A 91 9.402 4.574 7.371 1.00 75.50 C ATOM 1420 OE1 GLU A 91 9.078 5.318 8.318 1.00 51.31 O ATOM 1421 OE2 GLU A 91 10.470 3.930 7.379 1.00 33.24 O ATOM 0 H GLU A 91 5.218 4.762 5.992 1.00 5.13 H new ATOM 0 HA GLU A 91 6.959 3.085 4.256 1.00 41.43 H new ATOM 0 HB2 GLU A 91 6.884 3.476 7.271 1.00 71.02 H new ATOM 0 HB3 GLU A 91 7.948 2.372 6.422 1.00 71.02 H new ATOM 0 HG2 GLU A 91 9.046 4.268 5.267 1.00 23.12 H new ATOM 0 HG3 GLU A 91 7.938 5.398 6.021 1.00 23.12 H new ATOM 1428 N LEU A 92 5.388 1.146 4.377 1.00 42.53 N ATOM 1429 CA LEU A 92 4.532 -0.048 4.399 1.00 52.40 C ATOM 1430 C LEU A 92 5.415 -1.284 4.640 1.00 22.44 C ATOM 1431 O LEU A 92 6.186 -1.693 3.764 1.00 23.24 O ATOM 1432 CB LEU A 92 3.722 -0.188 3.074 1.00 12.14 C ATOM 1433 CG LEU A 92 2.654 0.928 2.786 1.00 61.40 C ATOM 1434 CD1 LEU A 92 3.300 2.272 2.412 1.00 41.04 C ATOM 1435 CD2 LEU A 92 1.645 0.482 1.710 1.00 60.52 C ATOM 0 H LEU A 92 5.932 1.238 3.519 1.00 42.53 H new ATOM 0 HA LEU A 92 3.805 0.044 5.206 1.00 52.40 H new ATOM 0 HB2 LEU A 92 4.427 -0.208 2.243 1.00 12.14 H new ATOM 0 HB3 LEU A 92 3.214 -1.152 3.085 1.00 12.14 H new ATOM 0 HG LEU A 92 2.108 1.082 3.717 1.00 61.40 H new ATOM 0 HD11 LEU A 92 2.521 3.010 2.223 1.00 41.04 H new ATOM 0 HD12 LEU A 92 3.931 2.613 3.233 1.00 41.04 H new ATOM 0 HD13 LEU A 92 3.907 2.147 1.515 1.00 41.04 H new ATOM 0 HD21 LEU A 92 0.922 1.279 1.537 1.00 60.52 H new ATOM 0 HD22 LEU A 92 2.175 0.265 0.782 1.00 60.52 H new ATOM 0 HD23 LEU A 92 1.124 -0.414 2.049 1.00 60.52 H new ATOM 1447 N ARG A 93 5.318 -1.840 5.851 1.00 34.51 N ATOM 1448 CA ARG A 93 6.090 -3.002 6.287 1.00 30.14 C ATOM 1449 C ARG A 93 5.298 -4.284 5.990 1.00 60.14 C ATOM 1450 O ARG A 93 4.366 -4.639 6.730 1.00 43.13 O ATOM 1451 CB ARG A 93 6.406 -2.874 7.809 1.00 1.31 C ATOM 1452 CG ARG A 93 7.304 -3.987 8.365 1.00 4.13 C ATOM 1453 CD ARG A 93 7.557 -3.888 9.881 1.00 5.40 C ATOM 1454 NE ARG A 93 8.588 -4.851 10.311 1.00 24.21 N ATOM 1455 CZ ARG A 93 8.366 -6.112 10.719 1.00 63.54 C ATOM 1456 NH1 ARG A 93 7.133 -6.620 10.775 1.00 64.11 N ATOM 1457 NH2 ARG A 93 9.398 -6.874 11.042 1.00 52.12 N ATOM 0 H ARG A 93 4.686 -1.486 6.569 1.00 34.51 H new ATOM 0 HA ARG A 93 7.034 -3.050 5.744 1.00 30.14 H new ATOM 0 HB2 ARG A 93 6.887 -1.912 7.988 1.00 1.31 H new ATOM 0 HB3 ARG A 93 5.468 -2.870 8.364 1.00 1.31 H new ATOM 0 HG2 ARG A 93 6.847 -4.952 8.145 1.00 4.13 H new ATOM 0 HG3 ARG A 93 8.261 -3.961 7.845 1.00 4.13 H new ATOM 0 HD2 ARG A 93 7.872 -2.876 10.135 1.00 5.40 H new ATOM 0 HD3 ARG A 93 6.629 -4.078 10.421 1.00 5.40 H new ATOM 0 HE ARG A 93 9.556 -4.531 10.297 1.00 24.21 H new ATOM 0 HH11 ARG A 93 6.333 -6.048 10.505 1.00 64.11 H new ATOM 0 HH12 ARG A 93 6.991 -7.580 11.088 1.00 64.11 H new ATOM 0 HH21 ARG A 93 10.346 -6.502 10.980 1.00 52.12 H new ATOM 0 HH22 ARG A 93 9.246 -7.833 11.354 1.00 52.12 H new ATOM 1471 N PHE A 94 5.660 -4.958 4.893 1.00 71.45 N ATOM 1472 CA PHE A 94 5.032 -6.214 4.475 1.00 24.25 C ATOM 1473 C PHE A 94 5.754 -7.392 5.139 1.00 53.43 C ATOM 1474 O PHE A 94 6.880 -7.745 4.758 1.00 42.13 O ATOM 1475 CB PHE A 94 5.078 -6.337 2.930 1.00 53.14 C ATOM 1476 CG PHE A 94 4.220 -5.299 2.213 1.00 35.11 C ATOM 1477 CD1 PHE A 94 4.759 -4.083 1.792 1.00 74.53 C ATOM 1478 CD2 PHE A 94 2.868 -5.543 1.965 1.00 65.41 C ATOM 1479 CE1 PHE A 94 3.975 -3.150 1.156 1.00 60.24 C ATOM 1480 CE2 PHE A 94 2.087 -4.604 1.327 1.00 33.13 C ATOM 1481 CZ PHE A 94 2.641 -3.410 0.921 1.00 33.15 C ATOM 0 H PHE A 94 6.402 -4.645 4.267 1.00 71.45 H new ATOM 0 HA PHE A 94 3.988 -6.225 4.787 1.00 24.25 H new ATOM 0 HB2 PHE A 94 6.111 -6.237 2.596 1.00 53.14 H new ATOM 0 HB3 PHE A 94 4.745 -7.334 2.642 1.00 53.14 H new ATOM 0 HD1 PHE A 94 5.804 -3.872 1.968 1.00 74.53 H new ATOM 0 HD2 PHE A 94 2.429 -6.479 2.277 1.00 65.41 H new ATOM 0 HE1 PHE A 94 4.405 -2.211 0.840 1.00 60.24 H new ATOM 0 HE2 PHE A 94 1.041 -4.804 1.145 1.00 33.13 H new ATOM 0 HZ PHE A 94 2.029 -2.676 0.418 1.00 33.15 H new ATOM 1491 N GLU A 95 5.079 -7.998 6.132 1.00 0.04 N ATOM 1492 CA GLU A 95 5.611 -9.118 6.912 1.00 61.12 C ATOM 1493 C GLU A 95 5.068 -10.430 6.330 1.00 1.44 C ATOM 1494 O GLU A 95 3.846 -10.644 6.307 1.00 5.32 O ATOM 1495 CB GLU A 95 5.235 -8.952 8.410 1.00 71.32 C ATOM 1496 CG GLU A 95 5.740 -10.086 9.329 1.00 55.54 C ATOM 1497 CD GLU A 95 5.457 -9.815 10.813 1.00 74.14 C ATOM 1498 OE1 GLU A 95 6.380 -9.405 11.540 1.00 52.22 O ATOM 1499 OE2 GLU A 95 4.297 -9.963 11.249 1.00 23.42 O ATOM 0 H GLU A 95 4.140 -7.717 6.414 1.00 0.04 H new ATOM 0 HA GLU A 95 6.699 -9.137 6.852 1.00 61.12 H new ATOM 0 HB2 GLU A 95 5.637 -8.005 8.769 1.00 71.32 H new ATOM 0 HB3 GLU A 95 4.150 -8.890 8.494 1.00 71.32 H new ATOM 0 HG2 GLU A 95 5.265 -11.023 9.038 1.00 55.54 H new ATOM 0 HG3 GLU A 95 6.813 -10.214 9.185 1.00 55.54 H new ATOM 1506 N VAL A 96 5.981 -11.275 5.824 1.00 41.03 N ATOM 1507 CA VAL A 96 5.634 -12.542 5.162 1.00 13.11 C ATOM 1508 C VAL A 96 5.570 -13.689 6.186 1.00 13.45 C ATOM 1509 O VAL A 96 6.254 -13.665 7.219 1.00 53.51 O ATOM 1510 CB VAL A 96 6.635 -12.900 3.993 1.00 70.53 C ATOM 1511 CG1 VAL A 96 6.844 -11.682 3.069 1.00 33.32 C ATOM 1512 CG2 VAL A 96 7.989 -13.458 4.505 1.00 75.41 C ATOM 0 H VAL A 96 6.985 -11.097 5.863 1.00 41.03 H new ATOM 0 HA VAL A 96 4.649 -12.410 4.715 1.00 13.11 H new ATOM 0 HB VAL A 96 6.176 -13.703 3.416 1.00 70.53 H new ATOM 0 HG11 VAL A 96 7.536 -11.946 2.270 1.00 33.32 H new ATOM 0 HG12 VAL A 96 5.888 -11.384 2.638 1.00 33.32 H new ATOM 0 HG13 VAL A 96 7.255 -10.854 3.646 1.00 33.32 H new ATOM 0 HG21 VAL A 96 8.633 -13.685 3.656 1.00 75.41 H new ATOM 0 HG22 VAL A 96 8.473 -12.715 5.139 1.00 75.41 H new ATOM 0 HG23 VAL A 96 7.814 -14.367 5.081 1.00 75.41 H new ATOM 1522 N ASP A 97 4.705 -14.659 5.898 1.00 73.15 N ATOM 1523 CA ASP A 97 4.586 -15.914 6.644 1.00 54.41 C ATOM 1524 C ASP A 97 4.427 -17.043 5.621 1.00 75.22 C ATOM 1525 O ASP A 97 3.496 -17.006 4.800 1.00 35.33 O ATOM 1526 CB ASP A 97 3.374 -15.851 7.613 1.00 75.21 C ATOM 1527 CG ASP A 97 3.147 -17.159 8.404 1.00 45.35 C ATOM 1528 OD1 ASP A 97 3.741 -17.325 9.485 1.00 41.31 O ATOM 1529 OD2 ASP A 97 2.372 -18.027 7.947 1.00 20.30 O ATOM 0 H ASP A 97 4.049 -14.594 5.119 1.00 73.15 H new ATOM 0 HA ASP A 97 5.472 -16.091 7.254 1.00 54.41 H new ATOM 0 HB2 ASP A 97 3.524 -15.032 8.316 1.00 75.21 H new ATOM 0 HB3 ASP A 97 2.474 -15.620 7.042 1.00 75.21 H new ATOM 1534 N GLY A 98 5.370 -17.998 5.625 1.00 3.24 N ATOM 1535 CA GLY A 98 5.334 -19.128 4.705 1.00 23.55 C ATOM 1536 C GLY A 98 5.718 -18.723 3.288 1.00 42.21 C ATOM 1537 O GLY A 98 6.909 -18.609 2.972 1.00 54.44 O ATOM 0 H GLY A 98 6.167 -18.003 6.261 1.00 3.24 H new ATOM 0 HA2 GLY A 98 6.014 -19.904 5.057 1.00 23.55 H new ATOM 0 HA3 GLY A 98 4.333 -19.560 4.700 1.00 23.55 H new ATOM 1541 N ASP A 99 4.698 -18.489 2.442 1.00 35.04 N ATOM 1542 CA ASP A 99 4.874 -18.130 1.014 1.00 55.23 C ATOM 1543 C ASP A 99 4.218 -16.776 0.676 1.00 62.13 C ATOM 1544 O ASP A 99 4.529 -16.181 -0.364 1.00 64.31 O ATOM 1545 CB ASP A 99 4.268 -19.229 0.095 1.00 50.15 C ATOM 1546 CG ASP A 99 4.916 -20.609 0.290 1.00 20.10 C ATOM 1547 OD1 ASP A 99 4.373 -21.435 1.048 1.00 33.11 O ATOM 1548 OD2 ASP A 99 5.990 -20.865 -0.296 1.00 73.12 O ATOM 0 H ASP A 99 3.720 -18.543 2.727 1.00 35.04 H new ATOM 0 HA ASP A 99 5.947 -18.049 0.838 1.00 55.23 H new ATOM 0 HB2 ASP A 99 3.198 -19.307 0.290 1.00 50.15 H new ATOM 0 HB3 ASP A 99 4.381 -18.926 -0.946 1.00 50.15 H new ATOM 1553 N THR A 100 3.311 -16.297 1.538 1.00 51.21 N ATOM 1554 CA THR A 100 2.483 -15.105 1.254 1.00 65.34 C ATOM 1555 C THR A 100 2.630 -14.052 2.361 1.00 72.21 C ATOM 1556 O THR A 100 3.052 -14.364 3.480 1.00 32.14 O ATOM 1557 CB THR A 100 0.977 -15.521 1.092 1.00 54.41 C ATOM 1558 OG1 THR A 100 0.179 -14.409 0.654 1.00 23.14 O ATOM 1559 CG2 THR A 100 0.383 -16.091 2.394 1.00 73.10 C ATOM 0 H THR A 100 3.127 -16.718 2.449 1.00 51.21 H new ATOM 0 HA THR A 100 2.832 -14.662 0.321 1.00 65.34 H new ATOM 0 HB THR A 100 0.956 -16.306 0.336 1.00 54.41 H new ATOM 0 HG1 THR A 100 0.743 -13.774 0.164 1.00 23.14 H new ATOM 0 HG21 THR A 100 -0.660 -16.363 2.230 1.00 73.10 H new ATOM 0 HG22 THR A 100 0.946 -16.975 2.694 1.00 73.10 H new ATOM 0 HG23 THR A 100 0.442 -15.339 3.181 1.00 73.10 H new ATOM 1567 N ILE A 101 2.278 -12.797 2.031 1.00 1.34 N ATOM 1568 CA ILE A 101 2.326 -11.674 2.973 1.00 12.10 C ATOM 1569 C ILE A 101 1.005 -11.635 3.766 1.00 63.30 C ATOM 1570 O ILE A 101 -0.080 -11.626 3.174 1.00 54.12 O ATOM 1571 CB ILE A 101 2.537 -10.300 2.241 1.00 42.13 C ATOM 1572 CG1 ILE A 101 3.705 -10.378 1.202 1.00 33.12 C ATOM 1573 CG2 ILE A 101 2.786 -9.175 3.273 1.00 2.13 C ATOM 1574 CD1 ILE A 101 3.840 -9.159 0.297 1.00 65.20 C ATOM 0 H ILE A 101 1.952 -12.536 1.100 1.00 1.34 H new ATOM 0 HA ILE A 101 3.175 -11.825 3.640 1.00 12.10 H new ATOM 0 HB ILE A 101 1.627 -10.068 1.688 1.00 42.13 H new ATOM 0 HG12 ILE A 101 4.642 -10.518 1.740 1.00 33.12 H new ATOM 0 HG13 ILE A 101 3.560 -11.261 0.579 1.00 33.12 H new ATOM 0 HG21 ILE A 101 2.931 -8.229 2.752 1.00 2.13 H new ATOM 0 HG22 ILE A 101 1.927 -9.095 3.939 1.00 2.13 H new ATOM 0 HG23 ILE A 101 3.677 -9.407 3.857 1.00 2.13 H new ATOM 0 HD11 ILE A 101 4.675 -9.305 -0.388 1.00 65.20 H new ATOM 0 HD12 ILE A 101 2.921 -9.026 -0.274 1.00 65.20 H new ATOM 0 HD13 ILE A 101 4.020 -8.273 0.905 1.00 65.20 H new ATOM 1586 N ARG A 102 1.110 -11.621 5.101 1.00 44.54 N ATOM 1587 CA ARG A 102 -0.052 -11.629 6.010 1.00 65.41 C ATOM 1588 C ARG A 102 -0.332 -10.230 6.589 1.00 35.11 C ATOM 1589 O ARG A 102 -1.490 -9.895 6.871 1.00 74.14 O ATOM 1590 CB ARG A 102 0.188 -12.647 7.158 1.00 30.20 C ATOM 1591 CG ARG A 102 0.153 -14.126 6.719 1.00 2.24 C ATOM 1592 CD ARG A 102 -1.221 -14.538 6.170 1.00 72.51 C ATOM 1593 NE ARG A 102 -1.288 -15.971 5.860 1.00 70.10 N ATOM 1594 CZ ARG A 102 -2.166 -16.545 5.019 1.00 71.52 C ATOM 1595 NH1 ARG A 102 -3.073 -15.817 4.369 1.00 0.30 N ATOM 1596 NH2 ARG A 102 -2.109 -17.852 4.818 1.00 33.24 N ATOM 0 H ARG A 102 2.007 -11.604 5.587 1.00 44.54 H new ATOM 0 HA ARG A 102 -0.928 -11.927 5.435 1.00 65.41 H new ATOM 0 HB2 ARG A 102 1.156 -12.439 7.614 1.00 30.20 H new ATOM 0 HB3 ARG A 102 -0.567 -12.492 7.928 1.00 30.20 H new ATOM 0 HG2 ARG A 102 0.912 -14.294 5.955 1.00 2.24 H new ATOM 0 HG3 ARG A 102 0.408 -14.761 7.568 1.00 2.24 H new ATOM 0 HD2 ARG A 102 -1.991 -14.290 6.900 1.00 72.51 H new ATOM 0 HD3 ARG A 102 -1.438 -13.963 5.270 1.00 72.51 H new ATOM 0 HE ARG A 102 -0.613 -16.582 6.320 1.00 70.10 H new ATOM 0 HH11 ARG A 102 -3.109 -14.807 4.506 1.00 0.30 H new ATOM 0 HH12 ARG A 102 -3.731 -16.270 3.735 1.00 0.30 H new ATOM 0 HH21 ARG A 102 -1.405 -18.412 5.299 1.00 33.24 H new ATOM 0 HH22 ARG A 102 -2.769 -18.300 4.182 1.00 33.24 H new ATOM 1610 N ARG A 103 0.719 -9.409 6.749 1.00 41.34 N ATOM 1611 CA ARG A 103 0.617 -8.129 7.480 1.00 31.53 C ATOM 1612 C ARG A 103 1.235 -6.978 6.669 1.00 24.15 C ATOM 1613 O ARG A 103 2.194 -7.179 5.928 1.00 33.35 O ATOM 1614 CB ARG A 103 1.319 -8.265 8.868 1.00 30.22 C ATOM 1615 CG ARG A 103 1.077 -7.073 9.852 1.00 54.50 C ATOM 1616 CD ARG A 103 2.352 -6.284 10.209 1.00 53.35 C ATOM 1617 NE ARG A 103 3.251 -7.044 11.096 1.00 52.50 N ATOM 1618 CZ ARG A 103 4.060 -6.502 12.030 1.00 51.01 C ATOM 1619 NH1 ARG A 103 4.118 -5.179 12.211 1.00 62.24 N ATOM 1620 NH2 ARG A 103 4.812 -7.295 12.776 1.00 1.13 N ATOM 0 H ARG A 103 1.650 -9.606 6.383 1.00 41.34 H new ATOM 0 HA ARG A 103 -0.437 -7.895 7.632 1.00 31.53 H new ATOM 0 HB2 ARG A 103 0.976 -9.184 9.343 1.00 30.22 H new ATOM 0 HB3 ARG A 103 2.392 -8.371 8.707 1.00 30.22 H new ATOM 0 HG2 ARG A 103 0.352 -6.390 9.408 1.00 54.50 H new ATOM 0 HG3 ARG A 103 0.632 -7.458 10.769 1.00 54.50 H new ATOM 0 HD2 ARG A 103 2.883 -6.024 9.294 1.00 53.35 H new ATOM 0 HD3 ARG A 103 2.074 -5.348 10.693 1.00 53.35 H new ATOM 0 HE ARG A 103 3.262 -8.059 10.996 1.00 52.50 H new ATOM 0 HH11 ARG A 103 3.544 -4.560 11.638 1.00 62.24 H new ATOM 0 HH12 ARG A 103 4.736 -4.788 12.922 1.00 62.24 H new ATOM 0 HH21 ARG A 103 4.777 -8.306 12.642 1.00 1.13 H new ATOM 0 HH22 ARG A 103 5.427 -6.896 13.485 1.00 1.13 H new ATOM 1634 N VAL A 104 0.648 -5.776 6.824 1.00 64.43 N ATOM 1635 CA VAL A 104 1.170 -4.520 6.261 1.00 14.40 C ATOM 1636 C VAL A 104 0.977 -3.378 7.288 1.00 62.03 C ATOM 1637 O VAL A 104 -0.154 -2.958 7.570 1.00 30.45 O ATOM 1638 CB VAL A 104 0.508 -4.166 4.866 1.00 54.20 C ATOM 1639 CG1 VAL A 104 -1.040 -4.204 4.920 1.00 20.20 C ATOM 1640 CG2 VAL A 104 1.031 -2.806 4.327 1.00 13.51 C ATOM 0 H VAL A 104 -0.215 -5.650 7.352 1.00 64.43 H new ATOM 0 HA VAL A 104 2.235 -4.648 6.065 1.00 14.40 H new ATOM 0 HB VAL A 104 0.810 -4.942 4.163 1.00 54.20 H new ATOM 0 HG11 VAL A 104 -1.445 -3.954 3.939 1.00 20.20 H new ATOM 0 HG12 VAL A 104 -1.370 -5.203 5.205 1.00 20.20 H new ATOM 0 HG13 VAL A 104 -1.396 -3.481 5.654 1.00 20.20 H new ATOM 0 HG21 VAL A 104 0.560 -2.589 3.369 1.00 13.51 H new ATOM 0 HG22 VAL A 104 0.789 -2.016 5.038 1.00 13.51 H new ATOM 0 HG23 VAL A 104 2.112 -2.858 4.196 1.00 13.51 H new ATOM 1650 N THR A 105 2.083 -2.924 7.899 1.00 31.42 N ATOM 1651 CA THR A 105 2.074 -1.787 8.830 1.00 51.33 C ATOM 1652 C THR A 105 2.436 -0.511 8.061 1.00 4.22 C ATOM 1653 O THR A 105 3.583 -0.332 7.664 1.00 74.24 O ATOM 1654 CB THR A 105 3.072 -2.015 10.012 1.00 4.55 C ATOM 1655 OG1 THR A 105 2.667 -3.174 10.749 1.00 21.51 O ATOM 1656 CG2 THR A 105 3.152 -0.806 10.968 1.00 63.00 C ATOM 0 H THR A 105 3.006 -3.335 7.761 1.00 31.42 H new ATOM 0 HA THR A 105 1.077 -1.688 9.259 1.00 51.33 H new ATOM 0 HB THR A 105 4.064 -2.152 9.581 1.00 4.55 H new ATOM 0 HG1 THR A 105 2.479 -2.922 11.677 1.00 21.51 H new ATOM 0 HG21 THR A 105 3.860 -1.021 11.769 1.00 63.00 H new ATOM 0 HG22 THR A 105 3.485 0.073 10.416 1.00 63.00 H new ATOM 0 HG23 THR A 105 2.168 -0.615 11.396 1.00 63.00 H new ATOM 1664 N VAL A 106 1.436 0.348 7.820 1.00 3.12 N ATOM 1665 CA VAL A 106 1.635 1.639 7.142 1.00 22.45 C ATOM 1666 C VAL A 106 1.882 2.745 8.194 1.00 54.45 C ATOM 1667 O VAL A 106 1.218 2.778 9.235 1.00 13.52 O ATOM 1668 CB VAL A 106 0.423 1.984 6.198 1.00 35.22 C ATOM 1669 CG1 VAL A 106 -0.918 2.081 6.971 1.00 33.11 C ATOM 1670 CG2 VAL A 106 0.713 3.257 5.370 1.00 43.25 C ATOM 0 H VAL A 106 0.468 0.169 8.088 1.00 3.12 H new ATOM 0 HA VAL A 106 2.515 1.571 6.503 1.00 22.45 H new ATOM 0 HB VAL A 106 0.308 1.155 5.499 1.00 35.22 H new ATOM 0 HG11 VAL A 106 -1.722 2.321 6.276 1.00 33.11 H new ATOM 0 HG12 VAL A 106 -1.129 1.127 7.455 1.00 33.11 H new ATOM 0 HG13 VAL A 106 -0.847 2.863 7.727 1.00 33.11 H new ATOM 0 HG21 VAL A 106 -0.139 3.474 4.726 1.00 43.25 H new ATOM 0 HG22 VAL A 106 0.883 4.098 6.043 1.00 43.25 H new ATOM 0 HG23 VAL A 106 1.600 3.098 4.757 1.00 43.25 H new ATOM 1680 N THR A 107 2.869 3.620 7.935 1.00 33.53 N ATOM 1681 CA THR A 107 3.282 4.682 8.868 1.00 62.34 C ATOM 1682 C THR A 107 3.328 6.034 8.132 1.00 11.12 C ATOM 1683 O THR A 107 4.152 6.220 7.230 1.00 24.14 O ATOM 1684 CB THR A 107 4.688 4.353 9.482 1.00 72.41 C ATOM 1685 OG1 THR A 107 4.678 3.027 10.047 1.00 5.34 O ATOM 1686 CG2 THR A 107 5.101 5.369 10.567 1.00 3.51 C ATOM 0 H THR A 107 3.405 3.610 7.068 1.00 33.53 H new ATOM 0 HA THR A 107 2.556 4.742 9.678 1.00 62.34 H new ATOM 0 HB THR A 107 5.417 4.412 8.674 1.00 72.41 H new ATOM 0 HG1 THR A 107 5.559 2.827 10.427 1.00 5.34 H new ATOM 0 HG21 THR A 107 6.080 5.101 10.963 1.00 3.51 H new ATOM 0 HG22 THR A 107 5.147 6.367 10.132 1.00 3.51 H new ATOM 0 HG23 THR A 107 4.368 5.358 11.374 1.00 3.51 H new ATOM 1694 N GLN A 108 2.421 6.958 8.504 1.00 32.25 N ATOM 1695 CA GLN A 108 2.385 8.320 7.955 1.00 5.23 C ATOM 1696 C GLN A 108 3.475 9.184 8.622 1.00 14.24 C ATOM 1697 O GLN A 108 3.334 9.616 9.772 1.00 52.15 O ATOM 1698 CB GLN A 108 0.979 8.949 8.148 1.00 24.53 C ATOM 1699 CG GLN A 108 0.833 10.372 7.566 1.00 53.40 C ATOM 1700 CD GLN A 108 -0.588 10.938 7.637 1.00 4.33 C ATOM 1701 OE1 GLN A 108 -1.364 10.619 8.542 1.00 60.11 O ATOM 1702 NE2 GLN A 108 -0.939 11.781 6.675 1.00 73.42 N ATOM 0 H GLN A 108 1.693 6.777 9.195 1.00 32.25 H new ATOM 0 HA GLN A 108 2.586 8.276 6.885 1.00 5.23 H new ATOM 0 HB2 GLN A 108 0.237 8.301 7.682 1.00 24.53 H new ATOM 0 HB3 GLN A 108 0.751 8.980 9.213 1.00 24.53 H new ATOM 0 HG2 GLN A 108 1.506 11.042 8.101 1.00 53.40 H new ATOM 0 HG3 GLN A 108 1.156 10.361 6.525 1.00 53.40 H new ATOM 0 HE21 GLN A 108 -0.273 12.024 5.942 1.00 73.42 H new ATOM 0 HE22 GLN A 108 -1.875 12.187 6.669 1.00 73.42 H new ATOM 1711 N ASN A 109 4.579 9.382 7.896 1.00 64.02 N ATOM 1712 CA ASN A 109 5.714 10.209 8.330 1.00 23.53 C ATOM 1713 C ASN A 109 5.490 11.652 7.851 1.00 23.53 C ATOM 1714 O ASN A 109 5.822 12.009 6.716 1.00 13.54 O ATOM 1715 CB ASN A 109 7.059 9.638 7.802 1.00 4.42 C ATOM 1716 CG ASN A 109 7.341 8.223 8.313 1.00 41.23 C ATOM 1717 OD1 ASN A 109 7.964 8.037 9.356 1.00 65.25 O ATOM 1718 ND2 ASN A 109 6.874 7.214 7.594 1.00 14.51 N ATOM 0 H ASN A 109 4.714 8.966 6.974 1.00 64.02 H new ATOM 0 HA ASN A 109 5.774 10.199 9.418 1.00 23.53 H new ATOM 0 HB2 ASN A 109 7.043 9.630 6.712 1.00 4.42 H new ATOM 0 HB3 ASN A 109 7.873 10.298 8.104 1.00 4.42 H new ATOM 0 HD21 ASN A 109 7.028 6.254 7.902 1.00 14.51 H new ATOM 0 HD22 ASN A 109 6.360 7.397 6.732 1.00 14.51 H new ATOM 1725 N GLY A 110 4.830 12.432 8.715 1.00 45.33 N ATOM 1726 CA GLY A 110 4.543 13.840 8.470 1.00 63.35 C ATOM 1727 C GLY A 110 3.864 14.453 9.681 1.00 40.12 C ATOM 1728 O GLY A 110 2.847 15.144 9.556 1.00 3.42 O ATOM 0 H GLY A 110 4.479 12.095 9.611 1.00 45.33 H new ATOM 0 HA2 GLY A 110 5.467 14.375 8.252 1.00 63.35 H new ATOM 0 HA3 GLY A 110 3.902 13.941 7.594 1.00 63.35 H new ATOM 1732 N GLY A 111 4.446 14.176 10.861 1.00 13.53 N ATOM 1733 CA GLY A 111 3.891 14.595 12.150 1.00 23.23 C ATOM 1734 C GLY A 111 4.706 15.713 12.776 1.00 14.32 C ATOM 1735 O GLY A 111 5.538 15.464 13.654 1.00 64.23 O ATOM 0 H GLY A 111 5.318 13.653 10.942 1.00 13.53 H new ATOM 0 HA2 GLY A 111 2.862 14.928 12.012 1.00 23.23 H new ATOM 0 HA3 GLY A 111 3.862 13.742 12.828 1.00 23.23 H new ATOM 1739 N SER A 112 4.491 16.941 12.282 1.00 73.40 N ATOM 1740 CA SER A 112 5.161 18.155 12.778 1.00 3.44 C ATOM 1741 C SER A 112 4.759 18.439 14.237 1.00 64.41 C ATOM 1742 O SER A 112 3.707 19.025 14.494 1.00 44.44 O ATOM 1743 CB SER A 112 4.790 19.342 11.857 1.00 2.13 C ATOM 1744 OG SER A 112 5.094 19.056 10.497 1.00 60.41 O ATOM 0 H SER A 112 3.840 17.123 11.518 1.00 73.40 H new ATOM 0 HA SER A 112 6.241 18.011 12.760 1.00 3.44 H new ATOM 0 HB2 SER A 112 3.727 19.563 11.956 1.00 2.13 H new ATOM 0 HB3 SER A 112 5.332 20.233 12.173 1.00 2.13 H new ATOM 0 HG SER A 112 4.848 19.823 9.939 1.00 60.41 H new ATOM 1750 N LEU A 113 5.581 17.960 15.189 1.00 5.13 N ATOM 1751 CA LEU A 113 5.321 18.138 16.628 1.00 11.52 C ATOM 1752 C LEU A 113 6.296 19.182 17.188 1.00 24.34 C ATOM 1753 O LEU A 113 7.505 18.942 17.278 1.00 52.12 O ATOM 1754 CB LEU A 113 5.427 16.774 17.384 1.00 72.51 C ATOM 1755 CG LEU A 113 4.712 16.657 18.786 1.00 72.53 C ATOM 1756 CD1 LEU A 113 5.412 17.464 19.908 1.00 12.21 C ATOM 1757 CD2 LEU A 113 3.216 17.038 18.662 1.00 71.25 C ATOM 0 H LEU A 113 6.436 17.443 14.984 1.00 5.13 H new ATOM 0 HA LEU A 113 4.304 18.500 16.776 1.00 11.52 H new ATOM 0 HB2 LEU A 113 5.022 15.998 16.735 1.00 72.51 H new ATOM 0 HB3 LEU A 113 6.484 16.550 17.527 1.00 72.51 H new ATOM 0 HG LEU A 113 4.788 15.613 19.089 1.00 72.53 H new ATOM 0 HD11 LEU A 113 4.866 17.337 20.843 1.00 12.21 H new ATOM 0 HD12 LEU A 113 6.433 17.104 20.033 1.00 12.21 H new ATOM 0 HD13 LEU A 113 5.430 18.520 19.639 1.00 12.21 H new ATOM 0 HD21 LEU A 113 2.737 16.952 19.637 1.00 71.25 H new ATOM 0 HD22 LEU A 113 3.130 18.064 18.304 1.00 71.25 H new ATOM 0 HD23 LEU A 113 2.727 16.366 17.957 1.00 71.25 H new ATOM 1769 N GLU A 114 5.743 20.346 17.516 1.00 45.34 N ATOM 1770 CA GLU A 114 6.435 21.426 18.223 1.00 10.51 C ATOM 1771 C GLU A 114 5.430 22.212 19.086 1.00 53.31 C ATOM 1772 O GLU A 114 4.206 22.044 18.955 1.00 23.12 O ATOM 1773 CB GLU A 114 7.153 22.369 17.217 1.00 51.11 C ATOM 1774 CG GLU A 114 6.220 23.077 16.214 1.00 3.20 C ATOM 1775 CD GLU A 114 6.965 24.069 15.309 1.00 50.32 C ATOM 1776 OE1 GLU A 114 7.311 25.168 15.785 1.00 72.51 O ATOM 1777 OE2 GLU A 114 7.220 23.762 14.128 1.00 64.13 O ATOM 0 H GLU A 114 4.774 20.573 17.292 1.00 45.34 H new ATOM 0 HA GLU A 114 7.193 20.992 18.874 1.00 10.51 H new ATOM 0 HB2 GLU A 114 7.701 23.126 17.778 1.00 51.11 H new ATOM 0 HB3 GLU A 114 7.889 21.790 16.660 1.00 51.11 H new ATOM 0 HG2 GLU A 114 5.724 22.329 15.595 1.00 3.20 H new ATOM 0 HG3 GLU A 114 5.440 23.606 16.761 1.00 3.20 H new ATOM 1784 N HIS A 115 5.965 23.060 19.972 1.00 34.32 N ATOM 1785 CA HIS A 115 5.181 23.927 20.863 1.00 60.12 C ATOM 1786 C HIS A 115 6.055 25.134 21.231 1.00 4.51 C ATOM 1787 O HIS A 115 6.983 25.012 22.037 1.00 52.13 O ATOM 1788 CB HIS A 115 4.723 23.125 22.125 1.00 41.44 C ATOM 1789 CG HIS A 115 3.998 23.926 23.191 1.00 64.44 C ATOM 1790 ND1 HIS A 115 2.657 24.232 23.125 1.00 25.34 N ATOM 1791 CD2 HIS A 115 4.436 24.464 24.361 1.00 70.05 C ATOM 1792 CE1 HIS A 115 2.307 24.920 24.195 1.00 71.11 C ATOM 1793 NE2 HIS A 115 3.365 25.074 24.962 1.00 61.25 N ATOM 0 H HIS A 115 6.972 23.166 20.093 1.00 34.32 H new ATOM 0 HA HIS A 115 4.275 24.281 20.370 1.00 60.12 H new ATOM 0 HB2 HIS A 115 4.070 22.315 21.800 1.00 41.44 H new ATOM 0 HB3 HIS A 115 5.601 22.665 22.578 1.00 41.44 H new ATOM 0 HD2 HIS A 115 5.444 24.419 24.746 1.00 70.05 H new ATOM 0 HE1 HIS A 115 1.316 25.295 24.406 1.00 71.11 H new ATOM 0 HE2 HIS A 115 3.385 25.566 25.855 1.00 61.25 H new ATOM 1802 N HIS A 116 5.786 26.293 20.595 1.00 40.11 N ATOM 1803 CA HIS A 116 6.552 27.541 20.817 1.00 45.34 C ATOM 1804 C HIS A 116 5.653 28.608 21.473 1.00 61.15 C ATOM 1805 O HIS A 116 4.584 28.943 20.948 1.00 73.22 O ATOM 1806 CB HIS A 116 7.180 28.059 19.482 1.00 71.32 C ATOM 1807 CG HIS A 116 6.226 28.240 18.308 1.00 25.20 C ATOM 1808 ND1 HIS A 116 6.100 27.312 17.303 1.00 24.13 N ATOM 1809 CD2 HIS A 116 5.392 29.258 17.965 1.00 72.01 C ATOM 1810 CE1 HIS A 116 5.243 27.747 16.398 1.00 14.21 C ATOM 1811 NE2 HIS A 116 4.797 28.924 16.778 1.00 15.13 N ATOM 0 H HIS A 116 5.033 26.392 19.914 1.00 40.11 H new ATOM 0 HA HIS A 116 7.376 27.328 21.499 1.00 45.34 H new ATOM 0 HB2 HIS A 116 7.662 29.016 19.681 1.00 71.32 H new ATOM 0 HB3 HIS A 116 7.964 27.364 19.181 1.00 71.32 H new ATOM 0 HD1 HIS A 116 6.594 26.421 17.262 1.00 24.13 H new ATOM 0 HD2 HIS A 116 5.229 30.166 18.527 1.00 72.01 H new ATOM 0 HE1 HIS A 116 4.957 27.224 15.497 1.00 14.21 H new ATOM 1820 N HIS A 117 6.075 29.107 22.643 1.00 54.31 N ATOM 1821 CA HIS A 117 5.368 30.170 23.366 1.00 31.31 C ATOM 1822 C HIS A 117 5.843 31.540 22.861 1.00 42.32 C ATOM 1823 O HIS A 117 7.041 31.739 22.629 1.00 51.44 O ATOM 1824 CB HIS A 117 5.600 30.034 24.896 1.00 4.14 C ATOM 1825 CG HIS A 117 4.991 31.150 25.706 1.00 42.05 C ATOM 1826 ND1 HIS A 117 3.631 31.365 25.767 1.00 13.33 N ATOM 1827 CD2 HIS A 117 5.554 32.138 26.444 1.00 14.11 C ATOM 1828 CE1 HIS A 117 3.390 32.431 26.497 1.00 65.30 C ATOM 1829 NE2 HIS A 117 4.537 32.919 26.919 1.00 61.03 N ATOM 0 H HIS A 117 6.919 28.783 23.115 1.00 54.31 H new ATOM 0 HA HIS A 117 4.298 30.079 23.180 1.00 31.31 H new ATOM 0 HB2 HIS A 117 5.185 29.084 25.234 1.00 4.14 H new ATOM 0 HB3 HIS A 117 6.672 30.000 25.090 1.00 4.14 H new ATOM 0 HD2 HIS A 117 6.609 32.282 26.623 1.00 14.11 H new ATOM 0 HE1 HIS A 117 2.414 32.838 26.714 1.00 65.30 H new ATOM 0 HE2 HIS A 117 4.649 33.746 27.505 1.00 61.03 H new ATOM 1838 N HIS A 118 4.896 32.476 22.679 1.00 11.43 N ATOM 1839 CA HIS A 118 5.205 33.854 22.277 1.00 54.43 C ATOM 1840 C HIS A 118 5.771 34.638 23.471 1.00 55.34 C ATOM 1841 O HIS A 118 5.035 34.984 24.408 1.00 21.01 O ATOM 1842 CB HIS A 118 3.950 34.553 21.702 1.00 75.41 C ATOM 1843 CG HIS A 118 4.198 35.963 21.222 1.00 41.23 C ATOM 1844 ND1 HIS A 118 3.708 37.070 21.873 1.00 25.44 N ATOM 1845 CD2 HIS A 118 4.885 36.436 20.154 1.00 20.50 C ATOM 1846 CE1 HIS A 118 4.083 38.155 21.237 1.00 43.41 C ATOM 1847 NE2 HIS A 118 4.801 37.800 20.191 1.00 21.33 N ATOM 0 H HIS A 118 3.900 32.297 22.806 1.00 11.43 H new ATOM 0 HA HIS A 118 5.960 33.827 21.492 1.00 54.43 H new ATOM 0 HB2 HIS A 118 3.565 33.960 20.872 1.00 75.41 H new ATOM 0 HB3 HIS A 118 3.174 34.572 22.468 1.00 75.41 H new ATOM 0 HD2 HIS A 118 5.402 35.846 19.412 1.00 20.50 H new ATOM 0 HE1 HIS A 118 3.843 39.168 21.523 1.00 43.41 H new ATOM 0 HE2 HIS A 118 5.225 38.439 19.518 1.00 21.33 H new ATOM 1856 N HIS A 119 7.094 34.854 23.444 1.00 65.24 N ATOM 1857 CA HIS A 119 7.793 35.712 24.405 1.00 51.55 C ATOM 1858 C HIS A 119 7.383 37.180 24.158 1.00 34.51 C ATOM 1859 O HIS A 119 7.113 37.580 23.016 1.00 3.30 O ATOM 1860 CB HIS A 119 9.333 35.528 24.274 1.00 2.44 C ATOM 1861 CG HIS A 119 10.160 36.259 25.316 1.00 42.41 C ATOM 1862 ND1 HIS A 119 10.660 35.645 26.446 1.00 25.32 N ATOM 1863 CD2 HIS A 119 10.563 37.554 25.400 1.00 63.12 C ATOM 1864 CE1 HIS A 119 11.332 36.522 27.162 1.00 14.45 C ATOM 1865 NE2 HIS A 119 11.285 37.683 26.549 1.00 32.11 N ATOM 0 H HIS A 119 7.711 34.434 22.749 1.00 65.24 H new ATOM 0 HA HIS A 119 7.514 35.433 25.421 1.00 51.55 H new ATOM 0 HB2 HIS A 119 9.562 34.464 24.332 1.00 2.44 H new ATOM 0 HB3 HIS A 119 9.641 35.867 23.285 1.00 2.44 H new ATOM 0 HD2 HIS A 119 10.350 38.337 24.687 1.00 63.12 H new ATOM 0 HE1 HIS A 119 11.837 36.321 28.095 1.00 14.45 H new ATOM 0 HE2 HIS A 119 11.720 38.544 26.880 1.00 32.11 H new ATOM 1874 N HIS A 120 7.339 37.962 25.241 1.00 0.21 N ATOM 1875 CA HIS A 120 6.940 39.375 25.221 1.00 53.32 C ATOM 1876 C HIS A 120 7.847 40.151 26.209 1.00 73.42 C ATOM 1877 O HIS A 120 7.817 39.856 27.419 1.00 1.34 O ATOM 1878 CB HIS A 120 5.417 39.530 25.550 1.00 25.12 C ATOM 1879 CG HIS A 120 4.951 38.858 26.826 1.00 23.02 C ATOM 1880 ND1 HIS A 120 4.614 39.558 27.965 1.00 73.53 N ATOM 1881 CD2 HIS A 120 4.754 37.550 27.123 1.00 55.43 C ATOM 1882 CE1 HIS A 120 4.239 38.713 28.901 1.00 21.34 C ATOM 1883 NE2 HIS A 120 4.314 37.490 28.417 1.00 24.12 N ATOM 1884 OXT HIS A 120 8.616 41.027 25.768 1.00 37.88 O ATOM 0 H HIS A 120 7.584 37.626 26.173 1.00 0.21 H new ATOM 0 HA HIS A 120 7.074 39.795 24.224 1.00 53.32 H new ATOM 0 HB2 HIS A 120 5.184 40.593 25.614 1.00 25.12 H new ATOM 0 HB3 HIS A 120 4.841 39.127 24.717 1.00 25.12 H new ATOM 0 HD2 HIS A 120 4.914 36.712 26.461 1.00 55.43 H new ATOM 0 HE1 HIS A 120 3.923 38.978 29.899 1.00 21.34 H new ATOM 0 HE2 HIS A 120 4.082 36.636 28.925 1.00 24.12 H new TER 1893 HIS A 120