USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot -2:sc= 0.469 USER MOD Set 1.2: A 48 THR OG1 : rot -30:sc= 0.544 USER MOD Set 2.1: A 9 TYR OH : rot 5:sc= 1.1 USER MOD Set 2.2: A 35 TYR OH : rot 0:sc= 0.275 USER MOD Set 2.3: A 38 THR OG1 : rot 38:sc= 0.109 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.109 (180deg=-0.59) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0138) USER MOD Single : A 6 THR OG1 : rot -70:sc= 0.0365 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0238) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.365 F(o=-1.8!,f=-0.36) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 1.07 (180deg=0.152) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 34 THR OG1 : rot 35:sc= 0.474 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.121 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -28:sc= 0.149 USER MOD Single : A 71 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.25) USER MOD Single : A 75 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-3.2!) USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 0.764 (180deg=0.626) USER MOD Single : A 78 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.67) USER MOD Single : A 82 HIS : no HD1:sc=-0.00943 K(o=-0.0094,f=-1.3) USER MOD Single : A 83 HIS : no HD1:sc= 0.125 K(o=0.13,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 85 HIS : no HD1:sc= -0.276 X(o=-0.28,f=0.051) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.263 23.729 -1.041 1.00 21.10 N ATOM 2 CA MET A 1 -4.424 22.526 -0.798 1.00 24.11 C ATOM 3 C MET A 1 -5.206 21.242 -1.146 1.00 71.23 C ATOM 4 O MET A 1 -6.239 20.949 -0.537 1.00 62.55 O ATOM 5 CB MET A 1 -3.936 22.471 0.680 1.00 50.11 C ATOM 6 CG MET A 1 -3.060 23.658 1.120 1.00 55.03 C ATOM 7 SD MET A 1 -2.463 23.506 2.820 1.00 44.12 S ATOM 8 CE MET A 1 -1.498 21.991 2.746 1.00 14.12 C ATOM 0 H1 MET A 1 -4.700 24.586 -0.867 1.00 21.10 H new ATOM 0 H2 MET A 1 -5.595 23.727 -2.027 1.00 21.10 H new ATOM 0 H3 MET A 1 -6.082 23.717 -0.400 1.00 21.10 H new ATOM 0 HA MET A 1 -3.549 22.593 -1.445 1.00 24.11 H new ATOM 0 HB2 MET A 1 -4.807 22.420 1.333 1.00 50.11 H new ATOM 0 HB3 MET A 1 -3.373 21.549 0.827 1.00 50.11 H new ATOM 0 HG2 MET A 1 -2.206 23.741 0.447 1.00 55.03 H new ATOM 0 HG3 MET A 1 -3.633 24.580 1.023 1.00 55.03 H new ATOM 0 HE1 MET A 1 -0.814 21.953 3.594 1.00 14.12 H new ATOM 0 HE2 MET A 1 -2.167 21.131 2.781 1.00 14.12 H new ATOM 0 HE3 MET A 1 -0.927 21.968 1.818 1.00 14.12 H new ATOM 20 N ASP A 2 -4.718 20.494 -2.150 1.00 72.54 N ATOM 21 CA ASP A 2 -5.241 19.157 -2.488 1.00 24.04 C ATOM 22 C ASP A 2 -4.483 18.107 -1.650 1.00 13.41 C ATOM 23 O ASP A 2 -3.254 18.007 -1.746 1.00 71.44 O ATOM 24 CB ASP A 2 -5.081 18.902 -4.004 1.00 12.30 C ATOM 25 CG ASP A 2 -5.838 19.947 -4.838 1.00 54.35 C ATOM 26 OD1 ASP A 2 -7.053 19.764 -5.077 1.00 74.51 O ATOM 27 OD2 ASP A 2 -5.233 20.967 -5.232 1.00 64.42 O ATOM 0 H ASP A 2 -3.951 20.798 -2.750 1.00 72.54 H new ATOM 0 HA ASP A 2 -6.304 19.089 -2.255 1.00 24.04 H new ATOM 0 HB2 ASP A 2 -4.023 18.923 -4.267 1.00 12.30 H new ATOM 0 HB3 ASP A 2 -5.450 17.906 -4.247 1.00 12.30 H new ATOM 32 N GLU A 3 -5.215 17.323 -0.845 1.00 13.30 N ATOM 33 CA GLU A 3 -4.611 16.518 0.240 1.00 5.12 C ATOM 34 C GLU A 3 -4.077 15.172 -0.289 1.00 33.21 C ATOM 35 O GLU A 3 -4.735 14.509 -1.087 1.00 64.02 O ATOM 36 CB GLU A 3 -5.647 16.274 1.363 1.00 63.21 C ATOM 37 CG GLU A 3 -5.040 15.715 2.664 1.00 72.11 C ATOM 38 CD GLU A 3 -4.054 16.695 3.315 1.00 41.44 C ATOM 39 OE1 GLU A 3 -4.515 17.708 3.895 1.00 33.04 O ATOM 40 OE2 GLU A 3 -2.829 16.477 3.228 1.00 30.13 O ATOM 0 H GLU A 3 -6.228 17.226 -0.921 1.00 13.30 H new ATOM 0 HA GLU A 3 -3.768 17.079 0.644 1.00 5.12 H new ATOM 0 HB2 GLU A 3 -6.155 17.213 1.585 1.00 63.21 H new ATOM 0 HB3 GLU A 3 -6.405 15.580 1.000 1.00 63.21 H new ATOM 0 HG2 GLU A 3 -5.841 15.488 3.368 1.00 72.11 H new ATOM 0 HG3 GLU A 3 -4.528 14.777 2.450 1.00 72.11 H new ATOM 47 N ASP A 4 -2.907 14.747 0.206 1.00 71.41 N ATOM 48 CA ASP A 4 -2.188 13.567 -0.320 1.00 64.10 C ATOM 49 C ASP A 4 -2.067 12.429 0.723 1.00 1.43 C ATOM 50 O ASP A 4 -2.368 12.609 1.910 1.00 52.02 O ATOM 51 CB ASP A 4 -0.800 14.010 -0.841 1.00 5.21 C ATOM 52 CG ASP A 4 0.053 14.699 0.236 1.00 23.35 C ATOM 53 OD1 ASP A 4 -0.143 15.909 0.475 1.00 31.23 O ATOM 54 OD2 ASP A 4 0.920 14.037 0.847 1.00 64.52 O ATOM 0 H ASP A 4 -2.429 15.207 0.981 1.00 71.41 H new ATOM 0 HA ASP A 4 -2.769 13.152 -1.143 1.00 64.10 H new ATOM 0 HB2 ASP A 4 -0.265 13.139 -1.219 1.00 5.21 H new ATOM 0 HB3 ASP A 4 -0.934 14.691 -1.682 1.00 5.21 H new ATOM 59 N ALA A 5 -1.648 11.246 0.233 1.00 13.12 N ATOM 60 CA ALA A 5 -1.451 10.034 1.054 1.00 3.35 C ATOM 61 C ALA A 5 -0.304 9.168 0.490 1.00 23.14 C ATOM 62 O ALA A 5 -0.270 8.890 -0.712 1.00 52.42 O ATOM 63 CB ALA A 5 -2.760 9.234 1.121 1.00 62.34 C ATOM 0 H ALA A 5 -1.434 11.103 -0.754 1.00 13.12 H new ATOM 0 HA ALA A 5 -1.171 10.335 2.064 1.00 3.35 H new ATOM 0 HB1 ALA A 5 -2.610 8.341 1.728 1.00 62.34 H new ATOM 0 HB2 ALA A 5 -3.540 9.850 1.569 1.00 62.34 H new ATOM 0 HB3 ALA A 5 -3.060 8.943 0.114 1.00 62.34 H new ATOM 69 N THR A 6 0.616 8.727 1.369 1.00 54.31 N ATOM 70 CA THR A 6 1.829 7.962 0.980 1.00 5.55 C ATOM 71 C THR A 6 1.602 6.444 1.170 1.00 73.34 C ATOM 72 O THR A 6 1.051 6.018 2.178 1.00 73.22 O ATOM 73 CB THR A 6 3.073 8.411 1.826 1.00 41.12 C ATOM 74 OG1 THR A 6 2.819 8.230 3.230 1.00 13.20 O ATOM 75 CG2 THR A 6 3.450 9.880 1.567 1.00 2.42 C ATOM 0 H THR A 6 0.544 8.889 2.373 1.00 54.31 H new ATOM 0 HA THR A 6 2.024 8.168 -0.073 1.00 5.55 H new ATOM 0 HB THR A 6 3.909 7.784 1.515 1.00 41.12 H new ATOM 0 HG1 THR A 6 2.153 8.884 3.529 1.00 13.20 H new ATOM 0 HG21 THR A 6 4.316 10.146 2.174 1.00 2.42 H new ATOM 0 HG22 THR A 6 3.691 10.013 0.512 1.00 2.42 H new ATOM 0 HG23 THR A 6 2.610 10.523 1.831 1.00 2.42 H new ATOM 83 N ILE A 7 2.019 5.624 0.187 1.00 42.13 N ATOM 84 CA ILE A 7 1.833 4.146 0.226 1.00 32.51 C ATOM 85 C ILE A 7 3.209 3.438 0.080 1.00 70.41 C ATOM 86 O ILE A 7 3.878 3.591 -0.945 1.00 34.42 O ATOM 87 CB ILE A 7 0.866 3.680 -0.931 1.00 64.42 C ATOM 88 CG1 ILE A 7 -0.416 4.582 -1.009 1.00 32.45 C ATOM 89 CG2 ILE A 7 0.481 2.186 -0.769 1.00 22.13 C ATOM 90 CD1 ILE A 7 -1.152 4.523 -2.340 1.00 3.13 C ATOM 0 H ILE A 7 2.492 5.956 -0.654 1.00 42.13 H new ATOM 0 HA ILE A 7 1.387 3.876 1.183 1.00 32.51 H new ATOM 0 HB ILE A 7 1.406 3.791 -1.871 1.00 64.42 H new ATOM 0 HG12 ILE A 7 -1.102 4.285 -0.216 1.00 32.45 H new ATOM 0 HG13 ILE A 7 -0.130 5.615 -0.812 1.00 32.45 H new ATOM 0 HG21 ILE A 7 -0.186 1.892 -1.580 1.00 22.13 H new ATOM 0 HG22 ILE A 7 1.382 1.573 -0.799 1.00 22.13 H new ATOM 0 HG23 ILE A 7 -0.024 2.042 0.186 1.00 22.13 H new ATOM 0 HD11 ILE A 7 -2.024 5.177 -2.303 1.00 3.13 H new ATOM 0 HD12 ILE A 7 -0.486 4.851 -3.139 1.00 3.13 H new ATOM 0 HD13 ILE A 7 -1.474 3.500 -2.533 1.00 3.13 H new ATOM 102 N THR A 8 3.616 2.654 1.098 1.00 13.23 N ATOM 103 CA THR A 8 4.971 2.039 1.166 1.00 15.03 C ATOM 104 C THR A 8 4.896 0.492 1.152 1.00 54.33 C ATOM 105 O THR A 8 4.285 -0.110 2.040 1.00 64.41 O ATOM 106 CB THR A 8 5.727 2.495 2.467 1.00 22.33 C ATOM 107 OG1 THR A 8 5.727 3.930 2.558 1.00 71.42 O ATOM 108 CG2 THR A 8 7.190 1.990 2.506 1.00 43.13 C ATOM 0 H THR A 8 3.023 2.426 1.896 1.00 13.23 H new ATOM 0 HA THR A 8 5.516 2.377 0.284 1.00 15.03 H new ATOM 0 HB THR A 8 5.196 2.058 3.313 1.00 22.33 H new ATOM 0 HG1 THR A 8 6.198 4.206 3.372 1.00 71.42 H new ATOM 0 HG21 THR A 8 7.668 2.332 3.424 1.00 43.13 H new ATOM 0 HG22 THR A 8 7.200 0.900 2.475 1.00 43.13 H new ATOM 0 HG23 THR A 8 7.733 2.382 1.646 1.00 43.13 H new ATOM 116 N TYR A 9 5.521 -0.140 0.140 1.00 42.35 N ATOM 117 CA TYR A 9 5.702 -1.615 0.085 1.00 2.11 C ATOM 118 C TYR A 9 6.966 -2.025 0.884 1.00 30.00 C ATOM 119 O TYR A 9 8.015 -1.392 0.747 1.00 41.02 O ATOM 120 CB TYR A 9 5.835 -2.094 -1.389 1.00 5.54 C ATOM 121 CG TYR A 9 4.548 -1.975 -2.229 1.00 2.22 C ATOM 122 CD1 TYR A 9 4.050 -0.728 -2.628 1.00 53.21 C ATOM 123 CD2 TYR A 9 3.826 -3.113 -2.609 1.00 12.03 C ATOM 124 CE1 TYR A 9 2.898 -0.626 -3.380 1.00 53.44 C ATOM 125 CE2 TYR A 9 2.672 -3.011 -3.362 1.00 31.23 C ATOM 126 CZ TYR A 9 2.210 -1.766 -3.737 1.00 1.33 C ATOM 127 OH TYR A 9 1.061 -1.658 -4.481 1.00 42.42 O ATOM 0 H TYR A 9 5.916 0.350 -0.663 1.00 42.35 H new ATOM 0 HA TYR A 9 4.826 -2.087 0.530 1.00 2.11 H new ATOM 0 HB2 TYR A 9 6.622 -1.517 -1.874 1.00 5.54 H new ATOM 0 HB3 TYR A 9 6.157 -3.135 -1.390 1.00 5.54 H new ATOM 0 HD1 TYR A 9 4.578 0.170 -2.342 1.00 53.21 H new ATOM 0 HD2 TYR A 9 4.178 -4.089 -2.308 1.00 12.03 H new ATOM 0 HE1 TYR A 9 2.536 0.344 -3.688 1.00 53.44 H new ATOM 0 HE2 TYR A 9 2.135 -3.901 -3.655 1.00 31.23 H new ATOM 0 HH TYR A 9 0.922 -0.721 -4.734 1.00 42.42 H new ATOM 137 N VAL A 10 6.850 -3.080 1.724 1.00 3.25 N ATOM 138 CA VAL A 10 7.978 -3.625 2.536 1.00 75.34 C ATOM 139 C VAL A 10 7.893 -5.172 2.636 1.00 45.24 C ATOM 140 O VAL A 10 6.813 -5.723 2.860 1.00 20.50 O ATOM 141 CB VAL A 10 8.030 -3.018 4.009 1.00 53.40 C ATOM 142 CG1 VAL A 10 8.414 -1.518 4.010 1.00 75.32 C ATOM 143 CG2 VAL A 10 6.694 -3.243 4.767 1.00 52.00 C ATOM 0 H VAL A 10 5.973 -3.582 1.862 1.00 3.25 H new ATOM 0 HA VAL A 10 8.889 -3.331 2.015 1.00 75.34 H new ATOM 0 HB VAL A 10 8.815 -3.557 4.539 1.00 53.40 H new ATOM 0 HG11 VAL A 10 8.436 -1.149 5.035 1.00 75.32 H new ATOM 0 HG12 VAL A 10 9.398 -1.394 3.558 1.00 75.32 H new ATOM 0 HG13 VAL A 10 7.678 -0.954 3.437 1.00 75.32 H new ATOM 0 HG21 VAL A 10 6.767 -2.816 5.767 1.00 52.00 H new ATOM 0 HG22 VAL A 10 5.882 -2.759 4.224 1.00 52.00 H new ATOM 0 HG23 VAL A 10 6.494 -4.312 4.842 1.00 52.00 H new ATOM 153 N ASP A 11 9.034 -5.867 2.469 1.00 21.34 N ATOM 154 CA ASP A 11 9.152 -7.299 2.782 1.00 1.21 C ATOM 155 C ASP A 11 9.279 -7.500 4.295 1.00 3.54 C ATOM 156 O ASP A 11 10.371 -7.335 4.842 1.00 40.21 O ATOM 157 CB ASP A 11 10.386 -7.943 2.095 1.00 72.34 C ATOM 158 CG ASP A 11 10.248 -8.057 0.587 1.00 11.43 C ATOM 159 OD1 ASP A 11 9.356 -8.803 0.130 1.00 22.13 O ATOM 160 OD2 ASP A 11 11.067 -7.455 -0.140 1.00 34.24 O ATOM 0 H ASP A 11 9.895 -5.451 2.115 1.00 21.34 H new ATOM 0 HA ASP A 11 8.250 -7.782 2.406 1.00 1.21 H new ATOM 0 HB2 ASP A 11 11.271 -7.351 2.327 1.00 72.34 H new ATOM 0 HB3 ASP A 11 10.548 -8.936 2.513 1.00 72.34 H new ATOM 165 N ASP A 12 8.176 -7.872 4.962 1.00 30.44 N ATOM 166 CA ASP A 12 8.210 -8.274 6.390 1.00 33.53 C ATOM 167 C ASP A 12 9.008 -9.600 6.561 1.00 41.14 C ATOM 168 O ASP A 12 9.518 -9.903 7.644 1.00 31.13 O ATOM 169 CB ASP A 12 6.771 -8.371 6.969 1.00 15.03 C ATOM 170 CG ASP A 12 5.852 -9.344 6.214 1.00 55.22 C ATOM 171 OD1 ASP A 12 5.462 -9.028 5.077 1.00 0.44 O ATOM 172 OD2 ASP A 12 5.504 -10.410 6.765 1.00 12.41 O ATOM 0 H ASP A 12 7.247 -7.905 4.542 1.00 30.44 H new ATOM 0 HA ASP A 12 8.731 -7.507 6.963 1.00 33.53 H new ATOM 0 HB2 ASP A 12 6.831 -8.681 8.012 1.00 15.03 H new ATOM 0 HB3 ASP A 12 6.319 -7.379 6.957 1.00 15.03 H new ATOM 177 N ASP A 13 9.140 -10.346 5.440 1.00 14.25 N ATOM 178 CA ASP A 13 9.976 -11.557 5.327 1.00 1.51 C ATOM 179 C ASP A 13 11.489 -11.226 5.492 1.00 1.31 C ATOM 180 O ASP A 13 12.280 -12.070 5.927 1.00 52.14 O ATOM 181 CB ASP A 13 9.707 -12.196 3.938 1.00 3.51 C ATOM 182 CG ASP A 13 10.466 -13.506 3.705 1.00 23.31 C ATOM 183 OD1 ASP A 13 10.142 -14.515 4.371 1.00 73.11 O ATOM 184 OD2 ASP A 13 11.388 -13.535 2.864 1.00 70.32 O ATOM 0 H ASP A 13 8.657 -10.115 4.572 1.00 14.25 H new ATOM 0 HA ASP A 13 9.717 -12.253 6.125 1.00 1.51 H new ATOM 0 HB2 ASP A 13 8.638 -12.383 3.835 1.00 3.51 H new ATOM 0 HB3 ASP A 13 9.983 -11.483 3.161 1.00 3.51 H new ATOM 189 N LYS A 14 11.879 -9.988 5.126 1.00 34.23 N ATOM 190 CA LYS A 14 13.275 -9.499 5.252 1.00 43.11 C ATOM 191 C LYS A 14 13.336 -8.272 6.215 1.00 50.11 C ATOM 192 O LYS A 14 13.900 -7.219 5.886 1.00 30.35 O ATOM 193 CB LYS A 14 13.835 -9.161 3.830 1.00 15.12 C ATOM 194 CG LYS A 14 15.394 -9.031 3.707 1.00 34.42 C ATOM 195 CD LYS A 14 16.129 -10.366 3.358 1.00 14.13 C ATOM 196 CE LYS A 14 16.092 -11.436 4.473 1.00 12.02 C ATOM 197 NZ LYS A 14 16.759 -10.976 5.716 1.00 44.21 N ATOM 0 H LYS A 14 11.239 -9.297 4.735 1.00 34.23 H new ATOM 0 HA LYS A 14 13.903 -10.276 5.687 1.00 43.11 H new ATOM 0 HB2 LYS A 14 13.501 -9.935 3.139 1.00 15.12 H new ATOM 0 HB3 LYS A 14 13.387 -8.224 3.500 1.00 15.12 H new ATOM 0 HG2 LYS A 14 15.625 -8.292 2.940 1.00 34.42 H new ATOM 0 HG3 LYS A 14 15.790 -8.648 4.648 1.00 34.42 H new ATOM 0 HD2 LYS A 14 15.683 -10.785 2.456 1.00 14.13 H new ATOM 0 HD3 LYS A 14 17.170 -10.141 3.124 1.00 14.13 H new ATOM 0 HE2 LYS A 14 15.056 -11.693 4.693 1.00 12.02 H new ATOM 0 HE3 LYS A 14 16.577 -12.345 4.118 1.00 12.02 H new ATOM 0 HZ1 LYS A 14 16.799 -11.760 6.399 1.00 44.21 H new ATOM 0 HZ2 LYS A 14 17.725 -10.659 5.495 1.00 44.21 H new ATOM 0 HZ3 LYS A 14 16.221 -10.186 6.127 1.00 44.21 H new ATOM 211 N GLY A 15 12.726 -8.439 7.411 1.00 14.10 N ATOM 212 CA GLY A 15 12.731 -7.416 8.490 1.00 23.24 C ATOM 213 C GLY A 15 12.202 -6.019 8.106 1.00 20.22 C ATOM 214 O GLY A 15 12.600 -5.014 8.705 1.00 40.04 O ATOM 0 H GLY A 15 12.215 -9.287 7.658 1.00 14.10 H new ATOM 0 HA2 GLY A 15 12.134 -7.792 9.321 1.00 23.24 H new ATOM 0 HA3 GLY A 15 13.753 -7.307 8.854 1.00 23.24 H new ATOM 218 N GLY A 16 11.315 -5.970 7.102 1.00 3.44 N ATOM 219 CA GLY A 16 10.707 -4.712 6.624 1.00 61.42 C ATOM 220 C GLY A 16 11.545 -4.001 5.552 1.00 32.51 C ATOM 221 O GLY A 16 11.646 -2.767 5.547 1.00 64.01 O ATOM 0 H GLY A 16 10.997 -6.797 6.597 1.00 3.44 H new ATOM 0 HA2 GLY A 16 9.718 -4.926 6.219 1.00 61.42 H new ATOM 0 HA3 GLY A 16 10.567 -4.040 7.471 1.00 61.42 H new ATOM 225 N ALA A 17 12.145 -4.787 4.632 1.00 14.54 N ATOM 226 CA ALA A 17 12.961 -4.260 3.511 1.00 41.05 C ATOM 227 C ALA A 17 12.076 -3.578 2.436 1.00 14.20 C ATOM 228 O ALA A 17 11.296 -4.248 1.765 1.00 4.22 O ATOM 229 CB ALA A 17 13.787 -5.403 2.890 1.00 2.51 C ATOM 0 H ALA A 17 12.079 -5.805 4.644 1.00 14.54 H new ATOM 0 HA ALA A 17 13.637 -3.501 3.905 1.00 41.05 H new ATOM 0 HB1 ALA A 17 14.386 -5.014 2.067 1.00 2.51 H new ATOM 0 HB2 ALA A 17 14.445 -5.829 3.647 1.00 2.51 H new ATOM 0 HB3 ALA A 17 13.115 -6.176 2.516 1.00 2.51 H new ATOM 235 N GLN A 18 12.226 -2.246 2.268 1.00 34.31 N ATOM 236 CA GLN A 18 11.389 -1.446 1.336 1.00 4.25 C ATOM 237 C GLN A 18 11.529 -1.939 -0.133 1.00 20.10 C ATOM 238 O GLN A 18 12.634 -1.980 -0.691 1.00 54.11 O ATOM 239 CB GLN A 18 11.758 0.061 1.444 1.00 14.03 C ATOM 240 CG GLN A 18 10.944 0.995 0.511 1.00 15.41 C ATOM 241 CD GLN A 18 11.353 2.469 0.615 1.00 30.13 C ATOM 242 OE1 GLN A 18 11.254 3.201 -0.476 1.00 1.32 O flip ATOM 243 NE2 GLN A 18 11.765 2.943 1.669 1.00 12.14 N flip ATOM 0 H GLN A 18 12.924 -1.695 2.768 1.00 34.31 H new ATOM 0 HA GLN A 18 10.347 -1.579 1.626 1.00 4.25 H new ATOM 0 HB2 GLN A 18 11.613 0.384 2.475 1.00 14.03 H new ATOM 0 HB3 GLN A 18 12.818 0.179 1.219 1.00 14.03 H new ATOM 0 HG2 GLN A 18 11.068 0.663 -0.520 1.00 15.41 H new ATOM 0 HG3 GLN A 18 9.885 0.902 0.751 1.00 15.41 H new ATOM 0 HE21 GLN A 18 11.833 2.356 2.500 1.00 12.14 H new ATOM 0 HE22 GLN A 18 12.040 3.924 1.714 1.00 12.14 H new ATOM 252 N VAL A 19 10.387 -2.302 -0.746 1.00 33.23 N ATOM 253 CA VAL A 19 10.339 -2.866 -2.110 1.00 54.33 C ATOM 254 C VAL A 19 10.133 -1.725 -3.134 1.00 72.44 C ATOM 255 O VAL A 19 9.025 -1.182 -3.259 1.00 51.30 O ATOM 256 CB VAL A 19 9.186 -3.939 -2.255 1.00 75.22 C ATOM 257 CG1 VAL A 19 9.301 -4.722 -3.590 1.00 70.41 C ATOM 258 CG2 VAL A 19 9.156 -4.899 -1.042 1.00 74.33 C ATOM 0 H VAL A 19 9.469 -2.213 -0.310 1.00 33.23 H new ATOM 0 HA VAL A 19 11.286 -3.370 -2.304 1.00 54.33 H new ATOM 0 HB VAL A 19 8.239 -3.399 -2.274 1.00 75.22 H new ATOM 0 HG11 VAL A 19 8.493 -5.450 -3.655 1.00 70.41 H new ATOM 0 HG12 VAL A 19 9.232 -4.027 -4.427 1.00 70.41 H new ATOM 0 HG13 VAL A 19 10.260 -5.240 -3.627 1.00 70.41 H new ATOM 0 HG21 VAL A 19 8.353 -5.624 -1.172 1.00 74.33 H new ATOM 0 HG22 VAL A 19 10.109 -5.422 -0.969 1.00 74.33 H new ATOM 0 HG23 VAL A 19 8.985 -4.327 -0.130 1.00 74.33 H new ATOM 268 N GLY A 20 11.213 -1.363 -3.848 1.00 4.52 N ATOM 269 CA GLY A 20 11.179 -0.272 -4.828 1.00 72.11 C ATOM 270 C GLY A 20 11.132 1.124 -4.184 1.00 55.15 C ATOM 271 O GLY A 20 12.172 1.672 -3.804 1.00 75.33 O ATOM 0 H GLY A 20 12.123 -1.815 -3.761 1.00 4.52 H new ATOM 0 HA2 GLY A 20 12.059 -0.340 -5.467 1.00 72.11 H new ATOM 0 HA3 GLY A 20 10.308 -0.397 -5.471 1.00 72.11 H new ATOM 275 N ASP A 21 9.912 1.677 -4.020 1.00 41.41 N ATOM 276 CA ASP A 21 9.703 3.089 -3.600 1.00 53.24 C ATOM 277 C ASP A 21 8.329 3.316 -2.919 1.00 22.11 C ATOM 278 O ASP A 21 7.540 2.381 -2.725 1.00 13.20 O ATOM 279 CB ASP A 21 9.859 4.018 -4.836 1.00 73.54 C ATOM 280 CG ASP A 21 8.977 3.581 -6.020 1.00 40.24 C ATOM 281 OD1 ASP A 21 9.430 2.742 -6.832 1.00 21.21 O ATOM 282 OD2 ASP A 21 7.822 4.051 -6.131 1.00 41.14 O ATOM 0 H ASP A 21 9.044 1.164 -4.173 1.00 41.41 H new ATOM 0 HA ASP A 21 10.459 3.329 -2.852 1.00 53.24 H new ATOM 0 HB2 ASP A 21 9.602 5.039 -4.553 1.00 73.54 H new ATOM 0 HB3 ASP A 21 10.903 4.027 -5.149 1.00 73.54 H new ATOM 287 N ILE A 22 8.078 4.588 -2.547 1.00 10.52 N ATOM 288 CA ILE A 22 6.802 5.046 -1.955 1.00 55.02 C ATOM 289 C ILE A 22 5.986 5.844 -3.008 1.00 51.41 C ATOM 290 O ILE A 22 6.527 6.728 -3.684 1.00 31.14 O ATOM 291 CB ILE A 22 7.062 5.964 -0.694 1.00 72.02 C ATOM 292 CG1 ILE A 22 7.998 5.246 0.336 1.00 74.12 C ATOM 293 CG2 ILE A 22 5.731 6.400 -0.027 1.00 24.15 C ATOM 294 CD1 ILE A 22 8.360 6.073 1.566 1.00 42.54 C ATOM 0 H ILE A 22 8.764 5.336 -2.650 1.00 10.52 H new ATOM 0 HA ILE A 22 6.240 4.167 -1.640 1.00 55.02 H new ATOM 0 HB ILE A 22 7.567 6.866 -1.039 1.00 72.02 H new ATOM 0 HG12 ILE A 22 7.513 4.327 0.665 1.00 74.12 H new ATOM 0 HG13 ILE A 22 8.918 4.957 -0.172 1.00 74.12 H new ATOM 0 HG21 ILE A 22 5.946 7.030 0.836 1.00 24.15 H new ATOM 0 HG22 ILE A 22 5.131 6.960 -0.744 1.00 24.15 H new ATOM 0 HG23 ILE A 22 5.180 5.517 0.296 1.00 24.15 H new ATOM 0 HD11 ILE A 22 9.010 5.490 2.218 1.00 42.54 H new ATOM 0 HD12 ILE A 22 8.878 6.980 1.255 1.00 42.54 H new ATOM 0 HD13 ILE A 22 7.451 6.340 2.105 1.00 42.54 H new ATOM 306 N VAL A 23 4.678 5.551 -3.119 1.00 75.44 N ATOM 307 CA VAL A 23 3.770 6.216 -4.088 1.00 32.13 C ATOM 308 C VAL A 23 2.760 7.144 -3.356 1.00 1.40 C ATOM 309 O VAL A 23 1.948 6.690 -2.545 1.00 65.12 O ATOM 310 CB VAL A 23 3.025 5.165 -5.005 1.00 21.53 C ATOM 311 CG1 VAL A 23 3.985 4.561 -6.058 1.00 73.40 C ATOM 312 CG2 VAL A 23 2.374 4.036 -4.177 1.00 61.24 C ATOM 0 H VAL A 23 4.215 4.848 -2.543 1.00 75.44 H new ATOM 0 HA VAL A 23 4.383 6.836 -4.742 1.00 32.13 H new ATOM 0 HB VAL A 23 2.232 5.706 -5.521 1.00 21.53 H new ATOM 0 HG11 VAL A 23 3.444 3.842 -6.673 1.00 73.40 H new ATOM 0 HG12 VAL A 23 4.378 5.357 -6.691 1.00 73.40 H new ATOM 0 HG13 VAL A 23 4.810 4.058 -5.553 1.00 73.40 H new ATOM 0 HG21 VAL A 23 1.873 3.336 -4.846 1.00 61.24 H new ATOM 0 HG22 VAL A 23 3.143 3.510 -3.611 1.00 61.24 H new ATOM 0 HG23 VAL A 23 1.646 4.464 -3.488 1.00 61.24 H new ATOM 322 N THR A 24 2.840 8.461 -3.631 1.00 70.11 N ATOM 323 CA THR A 24 1.997 9.482 -2.963 1.00 23.34 C ATOM 324 C THR A 24 0.868 9.954 -3.900 1.00 11.05 C ATOM 325 O THR A 24 1.123 10.666 -4.880 1.00 4.24 O ATOM 326 CB THR A 24 2.844 10.721 -2.530 1.00 23.32 C ATOM 327 OG1 THR A 24 4.039 10.281 -1.855 1.00 45.12 O ATOM 328 CG2 THR A 24 2.057 11.674 -1.603 1.00 11.13 C ATOM 0 H THR A 24 3.486 8.849 -4.318 1.00 70.11 H new ATOM 0 HA THR A 24 1.568 9.016 -2.076 1.00 23.34 H new ATOM 0 HB THR A 24 3.099 11.272 -3.435 1.00 23.32 H new ATOM 0 HG1 THR A 24 4.569 11.060 -1.586 1.00 45.12 H new ATOM 0 HG21 THR A 24 2.688 12.519 -1.330 1.00 11.13 H new ATOM 0 HG22 THR A 24 1.170 12.037 -2.122 1.00 11.13 H new ATOM 0 HG23 THR A 24 1.757 11.139 -0.702 1.00 11.13 H new ATOM 336 N VAL A 25 -0.372 9.564 -3.596 1.00 25.53 N ATOM 337 CA VAL A 25 -1.555 9.918 -4.417 1.00 45.41 C ATOM 338 C VAL A 25 -2.297 11.152 -3.822 1.00 20.21 C ATOM 339 O VAL A 25 -2.370 11.296 -2.602 1.00 62.32 O ATOM 340 CB VAL A 25 -2.524 8.676 -4.559 1.00 74.40 C ATOM 341 CG1 VAL A 25 -1.844 7.538 -5.362 1.00 13.01 C ATOM 342 CG2 VAL A 25 -2.994 8.150 -3.174 1.00 74.51 C ATOM 0 H VAL A 25 -0.595 8.996 -2.779 1.00 25.53 H new ATOM 0 HA VAL A 25 -1.212 10.192 -5.415 1.00 45.41 H new ATOM 0 HB VAL A 25 -3.405 9.014 -5.104 1.00 74.40 H new ATOM 0 HG11 VAL A 25 -2.528 6.694 -5.447 1.00 13.01 H new ATOM 0 HG12 VAL A 25 -1.587 7.899 -6.358 1.00 13.01 H new ATOM 0 HG13 VAL A 25 -0.938 7.220 -4.846 1.00 13.01 H new ATOM 0 HG21 VAL A 25 -3.658 7.297 -3.315 1.00 74.51 H new ATOM 0 HG22 VAL A 25 -2.128 7.843 -2.588 1.00 74.51 H new ATOM 0 HG23 VAL A 25 -3.527 8.941 -2.646 1.00 74.51 H new ATOM 352 N THR A 26 -2.836 12.042 -4.693 1.00 60.00 N ATOM 353 CA THR A 26 -3.448 13.345 -4.265 1.00 43.11 C ATOM 354 C THR A 26 -4.986 13.400 -4.510 1.00 52.21 C ATOM 355 O THR A 26 -5.517 12.770 -5.430 1.00 13.12 O ATOM 356 CB THR A 26 -2.774 14.566 -4.985 1.00 62.12 C ATOM 357 OG1 THR A 26 -2.972 14.474 -6.406 1.00 64.11 O ATOM 358 CG2 THR A 26 -1.262 14.648 -4.695 1.00 4.11 C ATOM 0 H THR A 26 -2.864 11.889 -5.701 1.00 60.00 H new ATOM 0 HA THR A 26 -3.269 13.410 -3.192 1.00 43.11 H new ATOM 0 HB THR A 26 -3.247 15.467 -4.595 1.00 62.12 H new ATOM 0 HG1 THR A 26 -2.549 15.241 -6.846 1.00 64.11 H new ATOM 0 HG21 THR A 26 -0.838 15.508 -5.214 1.00 4.11 H new ATOM 0 HG22 THR A 26 -1.103 14.757 -3.622 1.00 4.11 H new ATOM 0 HG23 THR A 26 -0.775 13.737 -5.044 1.00 4.11 H new ATOM 366 N GLY A 27 -5.678 14.184 -3.663 1.00 53.24 N ATOM 367 CA GLY A 27 -7.144 14.334 -3.702 1.00 23.43 C ATOM 368 C GLY A 27 -7.639 15.326 -2.638 1.00 34.25 C ATOM 369 O GLY A 27 -7.375 16.529 -2.752 1.00 4.10 O ATOM 0 H GLY A 27 -5.233 14.734 -2.928 1.00 53.24 H new ATOM 0 HA2 GLY A 27 -7.449 14.677 -4.690 1.00 23.43 H new ATOM 0 HA3 GLY A 27 -7.614 13.364 -3.542 1.00 23.43 H new ATOM 373 N LYS A 28 -8.342 14.828 -1.592 1.00 73.11 N ATOM 374 CA LYS A 28 -8.791 15.673 -0.447 1.00 24.45 C ATOM 375 C LYS A 28 -9.149 14.806 0.794 1.00 61.20 C ATOM 376 O LYS A 28 -9.477 13.632 0.650 1.00 75.32 O ATOM 377 CB LYS A 28 -10.006 16.558 -0.857 1.00 61.31 C ATOM 378 CG LYS A 28 -10.345 17.716 0.116 1.00 64.34 C ATOM 379 CD LYS A 28 -9.171 18.724 0.270 1.00 33.14 C ATOM 380 CE LYS A 28 -9.529 19.926 1.157 1.00 23.11 C ATOM 381 NZ LYS A 28 -8.401 20.892 1.269 1.00 12.11 N ATOM 0 H LYS A 28 -8.612 13.848 -1.513 1.00 73.11 H new ATOM 0 HA LYS A 28 -7.960 16.324 -0.174 1.00 24.45 H new ATOM 0 HB2 LYS A 28 -9.810 16.980 -1.843 1.00 61.31 H new ATOM 0 HB3 LYS A 28 -10.883 15.918 -0.953 1.00 61.31 H new ATOM 0 HG2 LYS A 28 -11.228 18.243 -0.245 1.00 64.34 H new ATOM 0 HG3 LYS A 28 -10.597 17.304 1.093 1.00 64.34 H new ATOM 0 HD2 LYS A 28 -8.310 18.209 0.695 1.00 33.14 H new ATOM 0 HD3 LYS A 28 -8.874 19.082 -0.716 1.00 33.14 H new ATOM 0 HE2 LYS A 28 -10.401 20.433 0.745 1.00 23.11 H new ATOM 0 HE3 LYS A 28 -9.805 19.574 2.151 1.00 23.11 H new ATOM 0 HZ1 LYS A 28 -8.767 21.863 1.200 1.00 12.11 H new ATOM 0 HZ2 LYS A 28 -7.925 20.765 2.185 1.00 12.11 H new ATOM 0 HZ3 LYS A 28 -7.722 20.723 0.500 1.00 12.11 H new ATOM 395 N THR A 29 -9.057 15.401 2.009 1.00 34.50 N ATOM 396 CA THR A 29 -9.443 14.737 3.294 1.00 2.24 C ATOM 397 C THR A 29 -10.876 14.139 3.275 1.00 43.30 C ATOM 398 O THR A 29 -11.123 13.065 3.834 1.00 22.54 O ATOM 399 CB THR A 29 -9.358 15.734 4.498 1.00 12.41 C ATOM 400 OG1 THR A 29 -10.226 16.860 4.273 1.00 52.24 O ATOM 401 CG2 THR A 29 -7.927 16.235 4.743 1.00 24.02 C ATOM 0 H THR A 29 -8.714 16.354 2.133 1.00 34.50 H new ATOM 0 HA THR A 29 -8.728 13.923 3.413 1.00 2.24 H new ATOM 0 HB THR A 29 -9.676 15.187 5.386 1.00 12.41 H new ATOM 0 HG1 THR A 29 -10.166 17.476 5.033 1.00 52.24 H new ATOM 0 HG21 THR A 29 -7.922 16.923 5.588 1.00 24.02 H new ATOM 0 HG22 THR A 29 -7.277 15.388 4.961 1.00 24.02 H new ATOM 0 HG23 THR A 29 -7.565 16.750 3.853 1.00 24.02 H new ATOM 409 N ASP A 30 -11.806 14.866 2.630 1.00 24.35 N ATOM 410 CA ASP A 30 -13.235 14.477 2.521 1.00 31.34 C ATOM 411 C ASP A 30 -13.486 13.540 1.291 1.00 14.20 C ATOM 412 O ASP A 30 -14.631 13.323 0.878 1.00 53.02 O ATOM 413 CB ASP A 30 -14.084 15.785 2.442 1.00 60.11 C ATOM 414 CG ASP A 30 -15.584 15.576 2.717 1.00 54.10 C ATOM 415 OD1 ASP A 30 -15.927 15.065 3.804 1.00 35.03 O ATOM 416 OD2 ASP A 30 -16.430 15.958 1.877 1.00 1.22 O ATOM 0 H ASP A 30 -11.591 15.748 2.164 1.00 24.35 H new ATOM 0 HA ASP A 30 -13.532 13.901 3.397 1.00 31.34 H new ATOM 0 HB2 ASP A 30 -13.691 16.505 3.160 1.00 60.11 H new ATOM 0 HB3 ASP A 30 -13.965 16.224 1.452 1.00 60.11 H new ATOM 421 N ASP A 31 -12.400 12.961 0.741 1.00 54.00 N ATOM 422 CA ASP A 31 -12.434 12.098 -0.460 1.00 73.24 C ATOM 423 C ASP A 31 -11.567 10.828 -0.237 1.00 14.43 C ATOM 424 O ASP A 31 -10.573 10.858 0.498 1.00 5.24 O ATOM 425 CB ASP A 31 -11.934 12.922 -1.682 1.00 13.44 C ATOM 426 CG ASP A 31 -11.924 12.127 -3.000 1.00 54.54 C ATOM 427 OD1 ASP A 31 -13.015 11.785 -3.511 1.00 25.33 O ATOM 428 OD2 ASP A 31 -10.831 11.830 -3.525 1.00 22.22 O ATOM 0 H ASP A 31 -11.462 13.080 1.122 1.00 54.00 H new ATOM 0 HA ASP A 31 -13.454 11.764 -0.652 1.00 73.24 H new ATOM 0 HB2 ASP A 31 -12.569 13.800 -1.802 1.00 13.44 H new ATOM 0 HB3 ASP A 31 -10.926 13.283 -1.478 1.00 13.44 H new ATOM 433 N SER A 32 -11.966 9.709 -0.872 1.00 45.23 N ATOM 434 CA SER A 32 -11.237 8.418 -0.795 1.00 21.54 C ATOM 435 C SER A 32 -11.068 7.792 -2.195 1.00 14.13 C ATOM 436 O SER A 32 -11.983 7.848 -3.025 1.00 30.13 O ATOM 437 CB SER A 32 -11.991 7.432 0.136 1.00 3.24 C ATOM 438 OG SER A 32 -13.288 7.113 -0.355 1.00 44.21 O ATOM 0 H SER A 32 -12.803 9.670 -1.454 1.00 45.23 H new ATOM 0 HA SER A 32 -10.246 8.614 -0.385 1.00 21.54 H new ATOM 0 HB2 SER A 32 -11.409 6.516 0.240 1.00 3.24 H new ATOM 0 HB3 SER A 32 -12.078 7.869 1.131 1.00 3.24 H new ATOM 0 HG SER A 32 -13.726 6.489 0.260 1.00 44.21 H new ATOM 444 N THR A 33 -9.899 7.187 -2.435 1.00 34.43 N ATOM 445 CA THR A 33 -9.576 6.480 -3.713 1.00 22.32 C ATOM 446 C THR A 33 -9.394 4.963 -3.483 1.00 32.41 C ATOM 447 O THR A 33 -9.187 4.525 -2.354 1.00 3.44 O ATOM 448 CB THR A 33 -8.279 7.055 -4.383 1.00 12.32 C ATOM 449 OG1 THR A 33 -8.051 6.420 -5.658 1.00 11.13 O ATOM 450 CG2 THR A 33 -7.026 6.878 -3.496 1.00 65.02 C ATOM 0 H THR A 33 -9.138 7.165 -1.756 1.00 34.43 H new ATOM 0 HA THR A 33 -10.421 6.646 -4.381 1.00 22.32 H new ATOM 0 HB THR A 33 -8.444 8.124 -4.519 1.00 12.32 H new ATOM 0 HG1 THR A 33 -7.240 6.789 -6.067 1.00 11.13 H new ATOM 0 HG21 THR A 33 -6.157 7.293 -4.007 1.00 65.02 H new ATOM 0 HG22 THR A 33 -7.174 7.399 -2.550 1.00 65.02 H new ATOM 0 HG23 THR A 33 -6.862 5.817 -3.305 1.00 65.02 H new ATOM 458 N THR A 34 -9.490 4.166 -4.563 1.00 61.42 N ATOM 459 CA THR A 34 -9.207 2.707 -4.535 1.00 32.11 C ATOM 460 C THR A 34 -7.906 2.412 -5.324 1.00 14.24 C ATOM 461 O THR A 34 -7.879 2.467 -6.560 1.00 12.34 O ATOM 462 CB THR A 34 -10.402 1.869 -5.121 1.00 33.23 C ATOM 463 OG1 THR A 34 -10.695 2.282 -6.470 1.00 72.14 O ATOM 464 CG2 THR A 34 -11.678 2.010 -4.264 1.00 13.11 C ATOM 0 H THR A 34 -9.766 4.509 -5.483 1.00 61.42 H new ATOM 0 HA THR A 34 -9.079 2.408 -3.495 1.00 32.11 H new ATOM 0 HB THR A 34 -10.092 0.824 -5.111 1.00 33.23 H new ATOM 0 HG1 THR A 34 -9.862 2.526 -6.926 1.00 72.14 H new ATOM 0 HG21 THR A 34 -12.479 1.416 -4.704 1.00 13.11 H new ATOM 0 HG22 THR A 34 -11.478 1.657 -3.252 1.00 13.11 H new ATOM 0 HG23 THR A 34 -11.980 3.057 -4.230 1.00 13.11 H new ATOM 472 N TYR A 35 -6.824 2.120 -4.591 1.00 43.44 N ATOM 473 CA TYR A 35 -5.480 1.848 -5.159 1.00 22.23 C ATOM 474 C TYR A 35 -5.255 0.326 -5.279 1.00 10.35 C ATOM 475 O TYR A 35 -5.449 -0.394 -4.312 1.00 63.24 O ATOM 476 CB TYR A 35 -4.404 2.495 -4.240 1.00 63.53 C ATOM 477 CG TYR A 35 -2.940 2.136 -4.572 1.00 61.43 C ATOM 478 CD1 TYR A 35 -2.264 2.752 -5.627 1.00 53.13 C ATOM 479 CD2 TYR A 35 -2.239 1.176 -3.826 1.00 20.43 C ATOM 480 CE1 TYR A 35 -0.956 2.423 -5.928 1.00 12.43 C ATOM 481 CE2 TYR A 35 -0.934 0.848 -4.125 1.00 14.24 C ATOM 482 CZ TYR A 35 -0.295 1.474 -5.173 1.00 55.11 C ATOM 483 OH TYR A 35 1.012 1.148 -5.473 1.00 1.34 O ATOM 0 H TYR A 35 -6.849 2.063 -3.573 1.00 43.44 H new ATOM 0 HA TYR A 35 -5.404 2.279 -6.157 1.00 22.23 H new ATOM 0 HB2 TYR A 35 -4.514 3.578 -4.289 1.00 63.53 H new ATOM 0 HB3 TYR A 35 -4.607 2.201 -3.210 1.00 63.53 H new ATOM 0 HD1 TYR A 35 -2.772 3.499 -6.218 1.00 53.13 H new ATOM 0 HD2 TYR A 35 -2.732 0.684 -3.001 1.00 20.43 H new ATOM 0 HE1 TYR A 35 -0.452 2.907 -6.752 1.00 12.43 H new ATOM 0 HE2 TYR A 35 -0.414 0.103 -3.540 1.00 14.24 H new ATOM 0 HH TYR A 35 1.313 1.678 -6.240 1.00 1.34 H new ATOM 493 N THR A 36 -4.827 -0.163 -6.455 1.00 1.11 N ATOM 494 CA THR A 36 -4.544 -1.609 -6.657 1.00 42.44 C ATOM 495 C THR A 36 -3.103 -1.966 -6.192 1.00 21.11 C ATOM 496 O THR A 36 -2.153 -1.226 -6.474 1.00 13.42 O ATOM 497 CB THR A 36 -4.749 -2.026 -8.157 1.00 53.32 C ATOM 498 OG1 THR A 36 -6.095 -1.718 -8.565 1.00 71.01 O ATOM 499 CG2 THR A 36 -4.490 -3.526 -8.396 1.00 73.32 C ATOM 0 H THR A 36 -4.667 0.413 -7.282 1.00 1.11 H new ATOM 0 HA THR A 36 -5.253 -2.168 -6.047 1.00 42.44 H new ATOM 0 HB THR A 36 -4.024 -1.463 -8.746 1.00 53.32 H new ATOM 0 HG1 THR A 36 -6.220 -1.977 -9.502 1.00 71.01 H new ATOM 0 HG21 THR A 36 -4.646 -3.759 -9.449 1.00 73.32 H new ATOM 0 HG22 THR A 36 -3.463 -3.767 -8.119 1.00 73.32 H new ATOM 0 HG23 THR A 36 -5.177 -4.115 -7.788 1.00 73.32 H new ATOM 507 N VAL A 37 -2.966 -3.104 -5.481 1.00 43.41 N ATOM 508 CA VAL A 37 -1.664 -3.624 -5.009 1.00 0.51 C ATOM 509 C VAL A 37 -0.882 -4.265 -6.187 1.00 40.14 C ATOM 510 O VAL A 37 -1.431 -5.076 -6.946 1.00 74.10 O ATOM 511 CB VAL A 37 -1.850 -4.690 -3.854 1.00 62.34 C ATOM 512 CG1 VAL A 37 -0.486 -5.216 -3.331 1.00 3.04 C ATOM 513 CG2 VAL A 37 -2.707 -4.116 -2.694 1.00 2.20 C ATOM 0 H VAL A 37 -3.757 -3.691 -5.217 1.00 43.41 H new ATOM 0 HA VAL A 37 -1.098 -2.782 -4.610 1.00 0.51 H new ATOM 0 HB VAL A 37 -2.385 -5.539 -4.281 1.00 62.34 H new ATOM 0 HG11 VAL A 37 -0.657 -5.945 -2.539 1.00 3.04 H new ATOM 0 HG12 VAL A 37 0.059 -5.688 -4.148 1.00 3.04 H new ATOM 0 HG13 VAL A 37 0.098 -4.384 -2.938 1.00 3.04 H new ATOM 0 HG21 VAL A 37 -2.818 -4.871 -1.915 1.00 2.20 H new ATOM 0 HG22 VAL A 37 -2.215 -3.236 -2.279 1.00 2.20 H new ATOM 0 HG23 VAL A 37 -3.691 -3.837 -3.072 1.00 2.20 H new ATOM 523 N THR A 38 0.396 -3.881 -6.326 1.00 13.14 N ATOM 524 CA THR A 38 1.287 -4.347 -7.410 1.00 24.23 C ATOM 525 C THR A 38 2.280 -5.412 -6.894 1.00 32.44 C ATOM 526 O THR A 38 3.065 -5.150 -5.974 1.00 34.43 O ATOM 527 CB THR A 38 2.076 -3.150 -8.049 1.00 4.52 C ATOM 528 OG1 THR A 38 2.760 -2.391 -7.032 1.00 12.11 O ATOM 529 CG2 THR A 38 1.142 -2.223 -8.845 1.00 65.34 C ATOM 0 H THR A 38 0.849 -3.231 -5.684 1.00 13.14 H new ATOM 0 HA THR A 38 0.657 -4.798 -8.176 1.00 24.23 H new ATOM 0 HB THR A 38 2.809 -3.573 -8.736 1.00 4.52 H new ATOM 0 HG1 THR A 38 3.109 -3.000 -6.348 1.00 12.11 H new ATOM 0 HG21 THR A 38 1.721 -1.405 -9.274 1.00 65.34 H new ATOM 0 HG22 THR A 38 0.664 -2.788 -9.645 1.00 65.34 H new ATOM 0 HG23 THR A 38 0.379 -1.818 -8.181 1.00 65.34 H new ATOM 537 N ILE A 39 2.228 -6.611 -7.499 1.00 55.45 N ATOM 538 CA ILE A 39 3.090 -7.757 -7.139 1.00 63.01 C ATOM 539 C ILE A 39 4.347 -7.825 -8.061 1.00 34.14 C ATOM 540 O ILE A 39 4.215 -8.084 -9.264 1.00 50.11 O ATOM 541 CB ILE A 39 2.276 -9.108 -7.223 1.00 23.12 C ATOM 542 CG1 ILE A 39 1.045 -9.068 -6.255 1.00 53.10 C ATOM 543 CG2 ILE A 39 3.165 -10.348 -6.938 1.00 15.20 C ATOM 544 CD1 ILE A 39 1.393 -8.863 -4.784 1.00 64.05 C ATOM 0 H ILE A 39 1.581 -6.817 -8.260 1.00 55.45 H new ATOM 0 HA ILE A 39 3.429 -7.614 -6.113 1.00 63.01 H new ATOM 0 HB ILE A 39 1.914 -9.206 -8.246 1.00 23.12 H new ATOM 0 HG12 ILE A 39 0.378 -8.266 -6.571 1.00 53.10 H new ATOM 0 HG13 ILE A 39 0.491 -10.001 -6.356 1.00 53.10 H new ATOM 0 HG21 ILE A 39 2.561 -11.253 -7.007 1.00 15.20 H new ATOM 0 HG22 ILE A 39 3.972 -10.393 -7.670 1.00 15.20 H new ATOM 0 HG23 ILE A 39 3.588 -10.270 -5.936 1.00 15.20 H new ATOM 0 HD11 ILE A 39 0.478 -8.849 -4.192 1.00 64.05 H new ATOM 0 HD12 ILE A 39 2.032 -9.678 -4.444 1.00 64.05 H new ATOM 0 HD13 ILE A 39 1.918 -7.915 -4.663 1.00 64.05 H new ATOM 556 N PRO A 40 5.586 -7.562 -7.519 1.00 50.12 N ATOM 557 CA PRO A 40 6.860 -7.685 -8.286 1.00 1.45 C ATOM 558 C PRO A 40 7.363 -9.162 -8.420 1.00 22.22 C ATOM 559 O PRO A 40 6.824 -10.078 -7.784 1.00 3.53 O ATOM 560 CB PRO A 40 7.858 -6.796 -7.466 1.00 3.40 C ATOM 561 CG PRO A 40 7.033 -6.163 -6.364 1.00 31.32 C ATOM 562 CD PRO A 40 5.861 -7.092 -6.145 1.00 64.31 C ATOM 0 HA PRO A 40 6.747 -7.365 -9.322 1.00 1.45 H new ATOM 0 HB2 PRO A 40 8.668 -7.396 -7.053 1.00 3.40 H new ATOM 0 HB3 PRO A 40 8.315 -6.035 -8.099 1.00 3.40 H new ATOM 0 HG2 PRO A 40 7.619 -6.050 -5.452 1.00 31.32 H new ATOM 0 HG3 PRO A 40 6.695 -5.167 -6.651 1.00 31.32 H new ATOM 0 HD2 PRO A 40 6.111 -7.914 -5.474 1.00 64.31 H new ATOM 0 HD3 PRO A 40 5.005 -6.575 -5.711 1.00 64.31 H new ATOM 570 N ASP A 41 8.419 -9.363 -9.243 1.00 55.31 N ATOM 571 CA ASP A 41 8.961 -10.707 -9.583 1.00 0.15 C ATOM 572 C ASP A 41 9.664 -11.399 -8.373 1.00 51.31 C ATOM 573 O ASP A 41 10.782 -11.025 -7.987 1.00 21.53 O ATOM 574 CB ASP A 41 9.952 -10.579 -10.771 1.00 35.04 C ATOM 575 CG ASP A 41 9.314 -9.923 -12.009 1.00 52.33 C ATOM 576 OD1 ASP A 41 9.358 -8.676 -12.121 1.00 10.44 O ATOM 577 OD2 ASP A 41 8.754 -10.641 -12.860 1.00 73.12 O ATOM 0 H ASP A 41 8.923 -8.598 -9.693 1.00 55.31 H new ATOM 0 HA ASP A 41 8.117 -11.338 -9.860 1.00 0.15 H new ATOM 0 HB2 ASP A 41 10.815 -9.991 -10.457 1.00 35.04 H new ATOM 0 HB3 ASP A 41 10.321 -11.569 -11.039 1.00 35.04 H new ATOM 582 N GLY A 42 8.988 -12.416 -7.791 1.00 45.34 N ATOM 583 CA GLY A 42 9.517 -13.188 -6.641 1.00 45.05 C ATOM 584 C GLY A 42 9.004 -12.706 -5.273 1.00 31.44 C ATOM 585 O GLY A 42 9.535 -13.110 -4.228 1.00 41.24 O ATOM 0 H GLY A 42 8.067 -12.724 -8.102 1.00 45.34 H new ATOM 0 HA2 GLY A 42 9.251 -14.237 -6.768 1.00 45.05 H new ATOM 0 HA3 GLY A 42 10.606 -13.132 -6.649 1.00 45.05 H new ATOM 589 N TYR A 43 7.971 -11.834 -5.283 1.00 5.40 N ATOM 590 CA TYR A 43 7.338 -11.268 -4.056 1.00 33.43 C ATOM 591 C TYR A 43 5.828 -11.637 -4.021 1.00 60.00 C ATOM 592 O TYR A 43 5.221 -11.843 -5.071 1.00 62.33 O ATOM 593 CB TYR A 43 7.514 -9.719 -4.037 1.00 34.02 C ATOM 594 CG TYR A 43 8.979 -9.228 -4.171 1.00 2.10 C ATOM 595 CD1 TYR A 43 9.612 -9.160 -5.415 1.00 60.43 C ATOM 596 CD2 TYR A 43 9.717 -8.827 -3.064 1.00 25.13 C ATOM 597 CE1 TYR A 43 10.917 -8.727 -5.543 1.00 24.54 C ATOM 598 CE2 TYR A 43 11.026 -8.392 -3.185 1.00 14.33 C ATOM 599 CZ TYR A 43 11.619 -8.338 -4.426 1.00 20.11 C ATOM 600 OH TYR A 43 12.927 -7.907 -4.552 1.00 0.02 O ATOM 0 H TYR A 43 7.545 -11.497 -6.146 1.00 5.40 H new ATOM 0 HA TYR A 43 7.823 -11.689 -3.176 1.00 33.43 H new ATOM 0 HB2 TYR A 43 6.927 -9.291 -4.849 1.00 34.02 H new ATOM 0 HB3 TYR A 43 7.100 -9.332 -3.106 1.00 34.02 H new ATOM 0 HD1 TYR A 43 9.066 -9.454 -6.299 1.00 60.43 H new ATOM 0 HD2 TYR A 43 9.259 -8.855 -2.086 1.00 25.13 H new ATOM 0 HE1 TYR A 43 11.384 -8.694 -6.516 1.00 24.54 H new ATOM 0 HE2 TYR A 43 11.581 -8.096 -2.307 1.00 14.33 H new ATOM 0 HH TYR A 43 13.279 -7.668 -3.669 1.00 0.02 H new ATOM 610 N GLU A 44 5.232 -11.738 -2.811 1.00 53.41 N ATOM 611 CA GLU A 44 3.794 -12.124 -2.628 1.00 30.24 C ATOM 612 C GLU A 44 3.105 -11.245 -1.555 1.00 22.41 C ATOM 613 O GLU A 44 3.695 -10.976 -0.514 1.00 43.12 O ATOM 614 CB GLU A 44 3.681 -13.614 -2.197 1.00 61.02 C ATOM 615 CG GLU A 44 4.237 -14.642 -3.206 1.00 23.31 C ATOM 616 CD GLU A 44 4.173 -16.086 -2.680 1.00 5.13 C ATOM 617 OE1 GLU A 44 5.072 -16.486 -1.918 1.00 24.24 O ATOM 618 OE2 GLU A 44 3.207 -16.812 -2.992 1.00 34.22 O ATOM 0 H GLU A 44 5.721 -11.558 -1.934 1.00 53.41 H new ATOM 0 HA GLU A 44 3.296 -11.974 -3.586 1.00 30.24 H new ATOM 0 HB2 GLU A 44 4.205 -13.741 -1.250 1.00 61.02 H new ATOM 0 HB3 GLU A 44 2.631 -13.842 -2.013 1.00 61.02 H new ATOM 0 HG2 GLU A 44 3.673 -14.573 -4.136 1.00 23.31 H new ATOM 0 HG3 GLU A 44 5.271 -14.391 -3.441 1.00 23.31 H new ATOM 625 N TYR A 45 1.836 -10.850 -1.800 1.00 21.45 N ATOM 626 CA TYR A 45 1.057 -9.982 -0.871 1.00 33.55 C ATOM 627 C TYR A 45 0.741 -10.696 0.473 1.00 62.14 C ATOM 628 O TYR A 45 0.135 -11.769 0.486 1.00 70.41 O ATOM 629 CB TYR A 45 -0.257 -9.510 -1.557 1.00 33.51 C ATOM 630 CG TYR A 45 -1.180 -8.657 -0.665 1.00 70.31 C ATOM 631 CD1 TYR A 45 -0.827 -7.357 -0.286 1.00 62.34 C ATOM 632 CD2 TYR A 45 -2.400 -9.160 -0.187 1.00 2.13 C ATOM 633 CE1 TYR A 45 -1.650 -6.600 0.525 1.00 75.22 C ATOM 634 CE2 TYR A 45 -3.217 -8.404 0.625 1.00 25.33 C ATOM 635 CZ TYR A 45 -2.839 -7.125 0.977 1.00 74.34 C ATOM 636 OH TYR A 45 -3.655 -6.377 1.793 1.00 64.33 O ATOM 0 H TYR A 45 1.321 -11.118 -2.639 1.00 21.45 H new ATOM 0 HA TYR A 45 1.674 -9.115 -0.637 1.00 33.55 H new ATOM 0 HB2 TYR A 45 0.000 -8.934 -2.446 1.00 33.51 H new ATOM 0 HB3 TYR A 45 -0.810 -10.387 -1.894 1.00 33.51 H new ATOM 0 HD1 TYR A 45 0.106 -6.938 -0.634 1.00 62.34 H new ATOM 0 HD2 TYR A 45 -2.704 -10.159 -0.461 1.00 2.13 H new ATOM 0 HE1 TYR A 45 -1.361 -5.598 0.804 1.00 75.22 H new ATOM 0 HE2 TYR A 45 -4.150 -8.811 0.985 1.00 25.33 H new ATOM 0 HH TYR A 45 -3.229 -5.515 1.980 1.00 64.33 H new ATOM 646 N VAL A 46 1.157 -10.077 1.595 1.00 3.13 N ATOM 647 CA VAL A 46 0.878 -10.582 2.960 1.00 71.34 C ATOM 648 C VAL A 46 -0.328 -9.841 3.598 1.00 75.11 C ATOM 649 O VAL A 46 -1.328 -10.467 3.971 1.00 33.11 O ATOM 650 CB VAL A 46 2.142 -10.439 3.893 1.00 1.34 C ATOM 651 CG1 VAL A 46 1.880 -10.983 5.320 1.00 71.32 C ATOM 652 CG2 VAL A 46 3.372 -11.125 3.260 1.00 41.14 C ATOM 0 H VAL A 46 1.697 -9.212 1.584 1.00 3.13 H new ATOM 0 HA VAL A 46 0.630 -11.639 2.865 1.00 71.34 H new ATOM 0 HB VAL A 46 2.351 -9.374 3.990 1.00 1.34 H new ATOM 0 HG11 VAL A 46 2.778 -10.863 5.926 1.00 71.32 H new ATOM 0 HG12 VAL A 46 1.059 -10.429 5.775 1.00 71.32 H new ATOM 0 HG13 VAL A 46 1.618 -12.040 5.264 1.00 71.32 H new ATOM 0 HG21 VAL A 46 4.231 -11.013 3.921 1.00 41.14 H new ATOM 0 HG22 VAL A 46 3.162 -12.185 3.113 1.00 41.14 H new ATOM 0 HG23 VAL A 46 3.592 -10.662 2.298 1.00 41.14 H new ATOM 662 N GLY A 47 -0.226 -8.499 3.709 1.00 72.31 N ATOM 663 CA GLY A 47 -1.241 -7.693 4.416 1.00 63.45 C ATOM 664 C GLY A 47 -1.063 -6.183 4.223 1.00 64.41 C ATOM 665 O GLY A 47 -0.181 -5.748 3.484 1.00 14.30 O ATOM 0 H GLY A 47 0.544 -7.955 3.320 1.00 72.31 H new ATOM 0 HA2 GLY A 47 -2.232 -7.982 4.066 1.00 63.45 H new ATOM 0 HA3 GLY A 47 -1.200 -7.923 5.481 1.00 63.45 H new ATOM 669 N THR A 48 -1.910 -5.384 4.898 1.00 55.22 N ATOM 670 CA THR A 48 -1.922 -3.904 4.782 1.00 24.13 C ATOM 671 C THR A 48 -2.313 -3.243 6.130 1.00 70.44 C ATOM 672 O THR A 48 -3.241 -3.691 6.811 1.00 15.00 O ATOM 673 CB THR A 48 -2.903 -3.434 3.640 1.00 31.30 C ATOM 674 OG1 THR A 48 -2.362 -3.786 2.353 1.00 5.25 O ATOM 675 CG2 THR A 48 -3.194 -1.920 3.658 1.00 4.43 C ATOM 0 H THR A 48 -2.612 -5.744 5.545 1.00 55.22 H new ATOM 0 HA THR A 48 -0.912 -3.586 4.522 1.00 24.13 H new ATOM 0 HB THR A 48 -3.847 -3.947 3.825 1.00 31.30 H new ATOM 0 HG1 THR A 48 -1.383 -3.782 2.397 1.00 5.25 H new ATOM 0 HG21 THR A 48 -3.875 -1.671 2.845 1.00 4.43 H new ATOM 0 HG22 THR A 48 -3.650 -1.649 4.610 1.00 4.43 H new ATOM 0 HG23 THR A 48 -2.262 -1.369 3.532 1.00 4.43 H new ATOM 683 N ASP A 49 -1.590 -2.162 6.491 1.00 42.23 N ATOM 684 CA ASP A 49 -1.820 -1.359 7.719 1.00 20.34 C ATOM 685 C ASP A 49 -2.095 0.119 7.346 1.00 20.21 C ATOM 686 O ASP A 49 -1.641 0.586 6.299 1.00 62.41 O ATOM 687 CB ASP A 49 -0.588 -1.443 8.656 1.00 23.14 C ATOM 688 CG ASP A 49 -0.267 -2.885 9.082 1.00 1.32 C ATOM 689 OD1 ASP A 49 -0.813 -3.357 10.101 1.00 41.23 O ATOM 690 OD2 ASP A 49 0.519 -3.560 8.391 1.00 72.04 O ATOM 0 H ASP A 49 -0.814 -1.813 5.929 1.00 42.23 H new ATOM 0 HA ASP A 49 -2.688 -1.763 8.240 1.00 20.34 H new ATOM 0 HB2 ASP A 49 0.278 -1.016 8.151 1.00 23.14 H new ATOM 0 HB3 ASP A 49 -0.769 -0.837 9.544 1.00 23.14 H new ATOM 695 N GLY A 50 -2.848 0.837 8.195 1.00 40.52 N ATOM 696 CA GLY A 50 -3.139 2.268 7.982 1.00 43.52 C ATOM 697 C GLY A 50 -4.474 2.516 7.272 1.00 33.11 C ATOM 698 O GLY A 50 -5.428 2.999 7.887 1.00 12.54 O ATOM 0 H GLY A 50 -3.269 0.450 9.039 1.00 40.52 H new ATOM 0 HA2 GLY A 50 -3.148 2.777 8.946 1.00 43.52 H new ATOM 0 HA3 GLY A 50 -2.335 2.712 7.395 1.00 43.52 H new ATOM 702 N GLY A 51 -4.533 2.178 5.971 1.00 11.13 N ATOM 703 CA GLY A 51 -5.762 2.330 5.164 1.00 71.44 C ATOM 704 C GLY A 51 -6.743 1.156 5.297 1.00 5.22 C ATOM 705 O GLY A 51 -6.558 0.276 6.138 1.00 55.24 O ATOM 0 H GLY A 51 -3.742 1.796 5.453 1.00 11.13 H new ATOM 0 HA2 GLY A 51 -6.268 3.249 5.460 1.00 71.44 H new ATOM 0 HA3 GLY A 51 -5.485 2.442 4.116 1.00 71.44 H new ATOM 709 N VAL A 52 -7.788 1.148 4.449 1.00 31.01 N ATOM 710 CA VAL A 52 -8.830 0.086 4.445 1.00 42.40 C ATOM 711 C VAL A 52 -8.572 -0.908 3.285 1.00 13.42 C ATOM 712 O VAL A 52 -8.609 -0.515 2.124 1.00 14.33 O ATOM 713 CB VAL A 52 -10.279 0.704 4.301 1.00 62.42 C ATOM 714 CG1 VAL A 52 -11.378 -0.391 4.248 1.00 54.01 C ATOM 715 CG2 VAL A 52 -10.568 1.720 5.431 1.00 33.13 C ATOM 0 H VAL A 52 -7.940 1.872 3.747 1.00 31.01 H new ATOM 0 HA VAL A 52 -8.774 -0.441 5.398 1.00 42.40 H new ATOM 0 HB VAL A 52 -10.305 1.235 3.349 1.00 62.42 H new ATOM 0 HG11 VAL A 52 -12.356 0.080 4.149 1.00 54.01 H new ATOM 0 HG12 VAL A 52 -11.201 -1.043 3.393 1.00 54.01 H new ATOM 0 HG13 VAL A 52 -11.350 -0.979 5.165 1.00 54.01 H new ATOM 0 HG21 VAL A 52 -11.571 2.128 5.306 1.00 33.13 H new ATOM 0 HG22 VAL A 52 -10.498 1.220 6.397 1.00 33.13 H new ATOM 0 HG23 VAL A 52 -9.839 2.529 5.388 1.00 33.13 H new ATOM 725 N VAL A 53 -8.302 -2.188 3.603 1.00 0.25 N ATOM 726 CA VAL A 53 -8.101 -3.241 2.575 1.00 10.51 C ATOM 727 C VAL A 53 -9.455 -3.887 2.157 1.00 12.32 C ATOM 728 O VAL A 53 -10.346 -4.097 2.994 1.00 42.11 O ATOM 729 CB VAL A 53 -7.074 -4.340 3.061 1.00 72.34 C ATOM 730 CG1 VAL A 53 -7.553 -5.071 4.337 1.00 51.33 C ATOM 731 CG2 VAL A 53 -6.734 -5.344 1.928 1.00 62.25 C ATOM 0 H VAL A 53 -8.217 -2.524 4.562 1.00 0.25 H new ATOM 0 HA VAL A 53 -7.674 -2.759 1.696 1.00 10.51 H new ATOM 0 HB VAL A 53 -6.156 -3.814 3.325 1.00 72.34 H new ATOM 0 HG11 VAL A 53 -6.813 -5.815 4.629 1.00 51.33 H new ATOM 0 HG12 VAL A 53 -7.680 -4.349 5.144 1.00 51.33 H new ATOM 0 HG13 VAL A 53 -8.504 -5.564 4.138 1.00 51.33 H new ATOM 0 HG21 VAL A 53 -6.025 -6.085 2.299 1.00 62.25 H new ATOM 0 HG22 VAL A 53 -7.645 -5.845 1.601 1.00 62.25 H new ATOM 0 HG23 VAL A 53 -6.292 -4.808 1.088 1.00 62.25 H new ATOM 741 N SER A 54 -9.603 -4.158 0.842 1.00 12.42 N ATOM 742 CA SER A 54 -10.802 -4.829 0.270 1.00 11.11 C ATOM 743 C SER A 54 -10.843 -6.342 0.618 1.00 65.44 C ATOM 744 O SER A 54 -9.847 -6.919 1.072 1.00 72.12 O ATOM 745 CB SER A 54 -10.844 -4.631 -1.269 1.00 61.21 C ATOM 746 OG SER A 54 -11.979 -5.249 -1.858 1.00 1.41 O ATOM 0 H SER A 54 -8.898 -3.920 0.144 1.00 12.42 H new ATOM 0 HA SER A 54 -11.681 -4.366 0.718 1.00 11.11 H new ATOM 0 HB2 SER A 54 -10.854 -3.565 -1.496 1.00 61.21 H new ATOM 0 HB3 SER A 54 -9.937 -5.043 -1.712 1.00 61.21 H new ATOM 0 HG SER A 54 -11.968 -5.099 -2.826 1.00 1.41 H new ATOM 752 N SER A 55 -12.008 -6.968 0.363 1.00 44.11 N ATOM 753 CA SER A 55 -12.301 -8.382 0.727 1.00 53.02 C ATOM 754 C SER A 55 -11.368 -9.401 0.017 1.00 40.50 C ATOM 755 O SER A 55 -11.093 -10.477 0.556 1.00 13.30 O ATOM 756 CB SER A 55 -13.775 -8.702 0.391 1.00 72.34 C ATOM 757 OG SER A 55 -14.040 -8.515 -0.995 1.00 2.31 O ATOM 0 H SER A 55 -12.787 -6.507 -0.107 1.00 44.11 H new ATOM 0 HA SER A 55 -12.119 -8.483 1.797 1.00 53.02 H new ATOM 0 HB2 SER A 55 -13.999 -9.731 0.671 1.00 72.34 H new ATOM 0 HB3 SER A 55 -14.432 -8.061 0.979 1.00 72.34 H new ATOM 0 HG SER A 55 -14.979 -8.726 -1.180 1.00 2.31 H new ATOM 763 N ASP A 56 -10.895 -9.056 -1.194 1.00 33.25 N ATOM 764 CA ASP A 56 -9.982 -9.920 -1.985 1.00 44.44 C ATOM 765 C ASP A 56 -8.485 -9.666 -1.654 1.00 40.15 C ATOM 766 O ASP A 56 -7.628 -10.499 -1.973 1.00 12.30 O ATOM 767 CB ASP A 56 -10.219 -9.675 -3.492 1.00 50.11 C ATOM 768 CG ASP A 56 -11.659 -9.961 -3.923 1.00 42.02 C ATOM 769 OD1 ASP A 56 -12.023 -11.147 -4.056 1.00 70.45 O ATOM 770 OD2 ASP A 56 -12.431 -9.005 -4.120 1.00 11.45 O ATOM 0 H ASP A 56 -11.129 -8.177 -1.655 1.00 33.25 H new ATOM 0 HA ASP A 56 -10.205 -10.954 -1.722 1.00 44.44 H new ATOM 0 HB2 ASP A 56 -9.973 -8.640 -3.730 1.00 50.11 H new ATOM 0 HB3 ASP A 56 -9.541 -10.304 -4.068 1.00 50.11 H new ATOM 775 N GLY A 57 -8.182 -8.503 -1.034 1.00 44.22 N ATOM 776 CA GLY A 57 -6.789 -8.064 -0.800 1.00 43.22 C ATOM 777 C GLY A 57 -6.077 -7.510 -2.054 1.00 70.55 C ATOM 778 O GLY A 57 -4.923 -7.077 -1.974 1.00 14.14 O ATOM 0 H GLY A 57 -8.885 -7.851 -0.687 1.00 44.22 H new ATOM 0 HA2 GLY A 57 -6.788 -7.296 -0.027 1.00 43.22 H new ATOM 0 HA3 GLY A 57 -6.215 -8.906 -0.413 1.00 43.22 H new ATOM 782 N LYS A 58 -6.778 -7.533 -3.207 1.00 2.13 N ATOM 783 CA LYS A 58 -6.254 -7.052 -4.511 1.00 52.11 C ATOM 784 C LYS A 58 -6.144 -5.511 -4.555 1.00 13.22 C ATOM 785 O LYS A 58 -5.245 -4.958 -5.189 1.00 41.02 O ATOM 786 CB LYS A 58 -7.192 -7.533 -5.643 1.00 61.25 C ATOM 787 CG LYS A 58 -7.261 -9.066 -5.833 1.00 74.12 C ATOM 788 CD LYS A 58 -8.376 -9.493 -6.823 1.00 74.10 C ATOM 789 CE LYS A 58 -8.230 -8.859 -8.219 1.00 50.41 C ATOM 790 NZ LYS A 58 -9.385 -9.181 -9.101 1.00 62.21 N ATOM 0 H LYS A 58 -7.732 -7.888 -3.264 1.00 2.13 H new ATOM 0 HA LYS A 58 -5.252 -7.461 -4.644 1.00 52.11 H new ATOM 0 HB2 LYS A 58 -8.197 -7.162 -5.443 1.00 61.25 H new ATOM 0 HB3 LYS A 58 -6.866 -7.081 -6.580 1.00 61.25 H new ATOM 0 HG2 LYS A 58 -6.299 -9.427 -6.197 1.00 74.12 H new ATOM 0 HG3 LYS A 58 -7.436 -9.541 -4.868 1.00 74.12 H new ATOM 0 HD2 LYS A 58 -8.367 -10.578 -6.922 1.00 74.10 H new ATOM 0 HD3 LYS A 58 -9.345 -9.219 -6.407 1.00 74.10 H new ATOM 0 HE2 LYS A 58 -8.141 -7.777 -8.118 1.00 50.41 H new ATOM 0 HE3 LYS A 58 -7.309 -9.213 -8.683 1.00 50.41 H new ATOM 0 HZ1 LYS A 58 -9.247 -8.735 -10.030 1.00 62.21 H new ATOM 0 HZ2 LYS A 58 -9.455 -10.212 -9.218 1.00 62.21 H new ATOM 0 HZ3 LYS A 58 -10.261 -8.821 -8.671 1.00 62.21 H new ATOM 804 N THR A 59 -7.107 -4.840 -3.902 1.00 44.43 N ATOM 805 CA THR A 59 -7.177 -3.366 -3.810 1.00 0.30 C ATOM 806 C THR A 59 -7.213 -2.914 -2.336 1.00 33.24 C ATOM 807 O THR A 59 -7.726 -3.619 -1.456 1.00 34.21 O ATOM 808 CB THR A 59 -8.434 -2.785 -4.559 1.00 51.22 C ATOM 809 OG1 THR A 59 -9.629 -3.446 -4.101 1.00 22.34 O ATOM 810 CG2 THR A 59 -8.326 -2.931 -6.087 1.00 10.21 C ATOM 0 H THR A 59 -7.871 -5.309 -3.415 1.00 44.43 H new ATOM 0 HA THR A 59 -6.280 -2.978 -4.294 1.00 0.30 H new ATOM 0 HB THR A 59 -8.479 -1.720 -4.329 1.00 51.22 H new ATOM 0 HG1 THR A 59 -10.407 -3.078 -4.570 1.00 22.34 H new ATOM 0 HG21 THR A 59 -9.218 -2.515 -6.556 1.00 10.21 H new ATOM 0 HG22 THR A 59 -7.446 -2.395 -6.442 1.00 10.21 H new ATOM 0 HG23 THR A 59 -8.238 -3.986 -6.346 1.00 10.21 H new ATOM 818 N VAL A 60 -6.627 -1.740 -2.087 1.00 5.33 N ATOM 819 CA VAL A 60 -6.634 -1.048 -0.788 1.00 71.32 C ATOM 820 C VAL A 60 -7.188 0.399 -0.970 1.00 62.40 C ATOM 821 O VAL A 60 -6.637 1.202 -1.732 1.00 45.01 O ATOM 822 CB VAL A 60 -5.190 -1.043 -0.126 1.00 20.23 C ATOM 823 CG1 VAL A 60 -4.754 -2.477 0.258 1.00 3.23 C ATOM 824 CG2 VAL A 60 -4.122 -0.394 -1.040 1.00 11.44 C ATOM 0 H VAL A 60 -6.117 -1.225 -2.805 1.00 5.33 H new ATOM 0 HA VAL A 60 -7.289 -1.588 -0.105 1.00 71.32 H new ATOM 0 HB VAL A 60 -5.264 -0.436 0.776 1.00 20.23 H new ATOM 0 HG11 VAL A 60 -3.762 -2.447 0.709 1.00 3.23 H new ATOM 0 HG12 VAL A 60 -5.465 -2.895 0.971 1.00 3.23 H new ATOM 0 HG13 VAL A 60 -4.727 -3.101 -0.635 1.00 3.23 H new ATOM 0 HG21 VAL A 60 -3.153 -0.416 -0.540 1.00 11.44 H new ATOM 0 HG22 VAL A 60 -4.060 -0.948 -1.977 1.00 11.44 H new ATOM 0 HG23 VAL A 60 -4.400 0.639 -1.247 1.00 11.44 H new ATOM 834 N THR A 61 -8.324 0.696 -0.313 1.00 62.14 N ATOM 835 CA THR A 61 -8.933 2.044 -0.306 1.00 11.11 C ATOM 836 C THR A 61 -8.078 3.017 0.535 1.00 53.13 C ATOM 837 O THR A 61 -7.945 2.855 1.755 1.00 20.32 O ATOM 838 CB THR A 61 -10.404 2.013 0.250 1.00 15.02 C ATOM 839 OG1 THR A 61 -11.205 1.124 -0.551 1.00 32.15 O ATOM 840 CG2 THR A 61 -11.062 3.415 0.277 1.00 30.20 C ATOM 0 H THR A 61 -8.848 0.009 0.229 1.00 62.14 H new ATOM 0 HA THR A 61 -8.968 2.392 -1.338 1.00 11.11 H new ATOM 0 HB THR A 61 -10.351 1.658 1.279 1.00 15.02 H new ATOM 0 HG1 THR A 61 -12.121 1.105 -0.202 1.00 32.15 H new ATOM 0 HG21 THR A 61 -12.076 3.334 0.669 1.00 30.20 H new ATOM 0 HG22 THR A 61 -10.478 4.079 0.915 1.00 30.20 H new ATOM 0 HG23 THR A 61 -11.096 3.821 -0.734 1.00 30.20 H new ATOM 848 N ILE A 62 -7.476 4.004 -0.141 1.00 13.12 N ATOM 849 CA ILE A 62 -6.635 5.036 0.494 1.00 5.51 C ATOM 850 C ILE A 62 -7.459 6.326 0.703 1.00 50.44 C ATOM 851 O ILE A 62 -7.904 6.938 -0.271 1.00 14.03 O ATOM 852 CB ILE A 62 -5.378 5.375 -0.404 1.00 33.51 C ATOM 853 CG1 ILE A 62 -4.678 4.082 -0.931 1.00 40.30 C ATOM 854 CG2 ILE A 62 -4.371 6.270 0.367 1.00 2.11 C ATOM 855 CD1 ILE A 62 -4.063 3.198 0.135 1.00 42.20 C ATOM 0 H ILE A 62 -7.557 4.113 -1.152 1.00 13.12 H new ATOM 0 HA ILE A 62 -6.292 4.647 1.453 1.00 5.51 H new ATOM 0 HB ILE A 62 -5.738 5.930 -1.270 1.00 33.51 H new ATOM 0 HG12 ILE A 62 -5.408 3.496 -1.489 1.00 40.30 H new ATOM 0 HG13 ILE A 62 -3.897 4.372 -1.634 1.00 40.30 H new ATOM 0 HG21 ILE A 62 -3.516 6.489 -0.272 1.00 2.11 H new ATOM 0 HG22 ILE A 62 -4.858 7.202 0.654 1.00 2.11 H new ATOM 0 HG23 ILE A 62 -4.031 5.748 1.262 1.00 2.11 H new ATOM 0 HD11 ILE A 62 -3.603 2.328 -0.334 1.00 42.20 H new ATOM 0 HD12 ILE A 62 -3.304 3.760 0.680 1.00 42.20 H new ATOM 0 HD13 ILE A 62 -4.838 2.869 0.827 1.00 42.20 H new ATOM 867 N THR A 63 -7.665 6.744 1.960 1.00 11.24 N ATOM 868 CA THR A 63 -8.330 8.033 2.265 1.00 44.32 C ATOM 869 C THR A 63 -7.255 9.059 2.681 1.00 52.44 C ATOM 870 O THR A 63 -6.440 8.785 3.571 1.00 14.55 O ATOM 871 CB THR A 63 -9.419 7.909 3.389 1.00 44.53 C ATOM 872 OG1 THR A 63 -10.289 6.787 3.113 1.00 34.00 O ATOM 873 CG2 THR A 63 -10.273 9.197 3.489 1.00 14.42 C ATOM 0 H THR A 63 -7.384 6.214 2.785 1.00 11.24 H new ATOM 0 HA THR A 63 -8.851 8.360 1.365 1.00 44.32 H new ATOM 0 HB THR A 63 -8.902 7.757 4.337 1.00 44.53 H new ATOM 0 HG1 THR A 63 -10.964 6.715 3.819 1.00 34.00 H new ATOM 0 HG21 THR A 63 -11.018 9.080 4.276 1.00 14.42 H new ATOM 0 HG22 THR A 63 -9.628 10.044 3.723 1.00 14.42 H new ATOM 0 HG23 THR A 63 -10.775 9.375 2.538 1.00 14.42 H new ATOM 881 N PHE A 64 -7.266 10.228 2.026 1.00 5.42 N ATOM 882 CA PHE A 64 -6.212 11.262 2.172 1.00 33.13 C ATOM 883 C PHE A 64 -6.319 11.972 3.547 1.00 64.01 C ATOM 884 O PHE A 64 -7.425 12.281 4.004 1.00 25.31 O ATOM 885 CB PHE A 64 -6.336 12.286 1.012 1.00 11.42 C ATOM 886 CG PHE A 64 -6.501 11.642 -0.368 1.00 72.31 C ATOM 887 CD1 PHE A 64 -5.402 11.175 -1.082 1.00 12.52 C ATOM 888 CD2 PHE A 64 -7.766 11.485 -0.943 1.00 62.02 C ATOM 889 CE1 PHE A 64 -5.565 10.588 -2.321 1.00 64.43 C ATOM 890 CE2 PHE A 64 -7.925 10.899 -2.178 1.00 34.12 C ATOM 891 CZ PHE A 64 -6.825 10.448 -2.866 1.00 33.40 C ATOM 0 H PHE A 64 -8.006 10.492 1.375 1.00 5.42 H new ATOM 0 HA PHE A 64 -5.234 10.783 2.126 1.00 33.13 H new ATOM 0 HB2 PHE A 64 -7.190 12.936 1.204 1.00 11.42 H new ATOM 0 HB3 PHE A 64 -5.449 12.920 1.003 1.00 11.42 H new ATOM 0 HD1 PHE A 64 -4.411 11.273 -0.663 1.00 12.52 H new ATOM 0 HD2 PHE A 64 -8.637 11.831 -0.406 1.00 62.02 H new ATOM 0 HE1 PHE A 64 -4.702 10.237 -2.867 1.00 64.43 H new ATOM 0 HE2 PHE A 64 -8.911 10.794 -2.605 1.00 34.12 H new ATOM 0 HZ PHE A 64 -6.946 9.984 -3.834 1.00 33.40 H new ATOM 901 N ALA A 65 -5.173 12.218 4.207 1.00 70.53 N ATOM 902 CA ALA A 65 -5.145 12.838 5.554 1.00 24.24 C ATOM 903 C ALA A 65 -3.971 13.827 5.709 1.00 24.53 C ATOM 904 O ALA A 65 -2.852 13.550 5.265 1.00 40.13 O ATOM 905 CB ALA A 65 -5.064 11.743 6.637 1.00 72.12 C ATOM 0 H ALA A 65 -4.250 11.998 3.833 1.00 70.53 H new ATOM 0 HA ALA A 65 -6.068 13.404 5.677 1.00 24.24 H new ATOM 0 HB1 ALA A 65 -5.044 12.207 7.623 1.00 72.12 H new ATOM 0 HB2 ALA A 65 -5.934 11.091 6.561 1.00 72.12 H new ATOM 0 HB3 ALA A 65 -4.157 11.156 6.494 1.00 72.12 H new ATOM 911 N ALA A 66 -4.253 14.991 6.342 1.00 64.12 N ATOM 912 CA ALA A 66 -3.211 15.954 6.775 1.00 42.12 C ATOM 913 C ALA A 66 -2.407 15.397 7.972 1.00 52.52 C ATOM 914 O ALA A 66 -1.267 15.808 8.226 1.00 52.54 O ATOM 915 CB ALA A 66 -3.856 17.306 7.139 1.00 53.54 C ATOM 0 H ALA A 66 -5.203 15.288 6.566 1.00 64.12 H new ATOM 0 HA ALA A 66 -2.519 16.107 5.947 1.00 42.12 H new ATOM 0 HB1 ALA A 66 -3.082 18.005 7.455 1.00 53.54 H new ATOM 0 HB2 ALA A 66 -4.374 17.708 6.268 1.00 53.54 H new ATOM 0 HB3 ALA A 66 -4.569 17.162 7.951 1.00 53.54 H new ATOM 921 N ASP A 67 -3.036 14.453 8.703 1.00 13.22 N ATOM 922 CA ASP A 67 -2.421 13.737 9.833 1.00 14.01 C ATOM 923 C ASP A 67 -1.600 12.527 9.330 1.00 15.20 C ATOM 924 O ASP A 67 -1.676 12.159 8.153 1.00 50.22 O ATOM 925 CB ASP A 67 -3.527 13.251 10.809 1.00 74.10 C ATOM 926 CG ASP A 67 -4.496 14.372 11.215 1.00 62.34 C ATOM 927 OD1 ASP A 67 -4.168 15.160 12.126 1.00 35.25 O ATOM 928 OD2 ASP A 67 -5.588 14.475 10.613 1.00 20.12 O ATOM 0 H ASP A 67 -3.997 14.165 8.520 1.00 13.22 H new ATOM 0 HA ASP A 67 -1.750 14.420 10.354 1.00 14.01 H new ATOM 0 HB2 ASP A 67 -4.089 12.443 10.341 1.00 74.10 H new ATOM 0 HB3 ASP A 67 -3.060 12.838 11.704 1.00 74.10 H new ATOM 933 N ASP A 68 -0.880 11.873 10.254 1.00 42.15 N ATOM 934 CA ASP A 68 -0.024 10.694 9.952 1.00 14.12 C ATOM 935 C ASP A 68 -0.839 9.362 9.812 1.00 62.35 C ATOM 936 O ASP A 68 -0.311 8.271 10.057 1.00 21.30 O ATOM 937 CB ASP A 68 1.059 10.572 11.055 1.00 11.21 C ATOM 938 CG ASP A 68 2.003 11.788 11.107 1.00 32.33 C ATOM 939 OD1 ASP A 68 1.576 12.868 11.569 1.00 44.10 O ATOM 940 OD2 ASP A 68 3.179 11.670 10.696 1.00 42.35 O ATOM 0 H ASP A 68 -0.869 12.141 11.238 1.00 42.15 H new ATOM 0 HA ASP A 68 0.443 10.854 8.980 1.00 14.12 H new ATOM 0 HB2 ASP A 68 0.572 10.455 12.023 1.00 11.21 H new ATOM 0 HB3 ASP A 68 1.646 9.670 10.882 1.00 11.21 H new ATOM 945 N SER A 69 -2.111 9.466 9.375 1.00 35.03 N ATOM 946 CA SER A 69 -2.983 8.297 9.070 1.00 2.30 C ATOM 947 C SER A 69 -2.946 7.945 7.560 1.00 3.52 C ATOM 948 O SER A 69 -3.471 6.906 7.144 1.00 2.23 O ATOM 949 CB SER A 69 -4.439 8.610 9.498 1.00 20.04 C ATOM 950 OG SER A 69 -5.316 7.500 9.312 1.00 33.34 O ATOM 0 H SER A 69 -2.570 10.364 9.221 1.00 35.03 H new ATOM 0 HA SER A 69 -2.609 7.438 9.627 1.00 2.30 H new ATOM 0 HB2 SER A 69 -4.450 8.905 10.547 1.00 20.04 H new ATOM 0 HB3 SER A 69 -4.808 9.460 8.924 1.00 20.04 H new ATOM 0 HG SER A 69 -4.985 6.941 8.578 1.00 33.34 H new ATOM 956 N ASP A 70 -2.296 8.813 6.764 1.00 1.21 N ATOM 957 CA ASP A 70 -2.246 8.708 5.288 1.00 33.31 C ATOM 958 C ASP A 70 -1.269 7.598 4.817 1.00 11.33 C ATOM 959 O ASP A 70 -1.448 7.007 3.744 1.00 53.54 O ATOM 960 CB ASP A 70 -1.806 10.076 4.709 1.00 54.42 C ATOM 961 CG ASP A 70 -0.334 10.414 5.029 1.00 41.14 C ATOM 962 OD1 ASP A 70 -0.011 10.663 6.218 1.00 14.24 O ATOM 963 OD2 ASP A 70 0.520 10.361 4.109 1.00 11.02 O ATOM 0 H ASP A 70 -1.784 9.617 7.128 1.00 1.21 H new ATOM 0 HA ASP A 70 -3.239 8.439 4.927 1.00 33.31 H new ATOM 0 HB2 ASP A 70 -1.946 10.070 3.628 1.00 54.42 H new ATOM 0 HB3 ASP A 70 -2.450 10.859 5.110 1.00 54.42 H new ATOM 968 N ASN A 71 -0.213 7.370 5.624 1.00 1.52 N ATOM 969 CA ASN A 71 0.862 6.410 5.308 1.00 43.22 C ATOM 970 C ASN A 71 0.387 4.945 5.477 1.00 62.53 C ATOM 971 O ASN A 71 0.356 4.394 6.583 1.00 64.33 O ATOM 972 CB ASN A 71 2.150 6.723 6.127 1.00 62.24 C ATOM 973 CG ASN A 71 1.886 7.061 7.591 1.00 11.15 C ATOM 974 OD1 ASN A 71 1.875 6.193 8.458 1.00 12.01 O ATOM 975 ND2 ASN A 71 1.660 8.331 7.876 1.00 45.52 N ATOM 0 H ASN A 71 -0.082 7.848 6.515 1.00 1.52 H new ATOM 0 HA ASN A 71 1.121 6.527 4.256 1.00 43.22 H new ATOM 0 HB2 ASN A 71 2.818 5.863 6.078 1.00 62.24 H new ATOM 0 HB3 ASN A 71 2.671 7.558 5.660 1.00 62.24 H new ATOM 0 HD21 ASN A 71 1.470 8.612 8.838 1.00 45.52 H new ATOM 0 HD22 ASN A 71 1.676 9.031 7.134 1.00 45.52 H new ATOM 982 N VAL A 72 -0.015 4.349 4.346 1.00 23.12 N ATOM 983 CA VAL A 72 -0.524 2.971 4.267 1.00 14.54 C ATOM 984 C VAL A 72 0.635 2.005 3.938 1.00 22.01 C ATOM 985 O VAL A 72 1.265 2.118 2.883 1.00 30.34 O ATOM 986 CB VAL A 72 -1.647 2.884 3.168 1.00 22.01 C ATOM 987 CG1 VAL A 72 -2.188 1.445 2.998 1.00 14.33 C ATOM 988 CG2 VAL A 72 -2.790 3.885 3.484 1.00 51.34 C ATOM 0 H VAL A 72 0.005 4.820 3.442 1.00 23.12 H new ATOM 0 HA VAL A 72 -0.953 2.685 5.227 1.00 14.54 H new ATOM 0 HB VAL A 72 -1.198 3.161 2.214 1.00 22.01 H new ATOM 0 HG11 VAL A 72 -2.961 1.435 2.229 1.00 14.33 H new ATOM 0 HG12 VAL A 72 -1.374 0.783 2.703 1.00 14.33 H new ATOM 0 HG13 VAL A 72 -2.611 1.102 3.942 1.00 14.33 H new ATOM 0 HG21 VAL A 72 -3.559 3.813 2.715 1.00 51.34 H new ATOM 0 HG22 VAL A 72 -3.224 3.647 4.455 1.00 51.34 H new ATOM 0 HG23 VAL A 72 -2.390 4.899 3.504 1.00 51.34 H new ATOM 998 N VAL A 73 0.904 1.051 4.846 1.00 1.41 N ATOM 999 CA VAL A 73 2.040 0.115 4.721 1.00 72.15 C ATOM 1000 C VAL A 73 1.564 -1.244 4.159 1.00 43.34 C ATOM 1001 O VAL A 73 0.895 -2.011 4.858 1.00 12.44 O ATOM 1002 CB VAL A 73 2.757 -0.096 6.111 1.00 41.22 C ATOM 1003 CG1 VAL A 73 4.010 -0.996 5.973 1.00 31.14 C ATOM 1004 CG2 VAL A 73 3.119 1.262 6.764 1.00 30.11 C ATOM 0 H VAL A 73 0.343 0.905 5.686 1.00 1.41 H new ATOM 0 HA VAL A 73 2.758 0.552 4.027 1.00 72.15 H new ATOM 0 HB VAL A 73 2.054 -0.609 6.767 1.00 41.22 H new ATOM 0 HG11 VAL A 73 4.478 -1.120 6.949 1.00 31.14 H new ATOM 0 HG12 VAL A 73 3.716 -1.971 5.585 1.00 31.14 H new ATOM 0 HG13 VAL A 73 4.718 -0.531 5.287 1.00 31.14 H new ATOM 0 HG21 VAL A 73 3.612 1.086 7.720 1.00 30.11 H new ATOM 0 HG22 VAL A 73 3.790 1.815 6.106 1.00 30.11 H new ATOM 0 HG23 VAL A 73 2.210 1.842 6.925 1.00 30.11 H new ATOM 1014 N ILE A 74 1.902 -1.525 2.889 1.00 33.34 N ATOM 1015 CA ILE A 74 1.608 -2.818 2.237 1.00 43.11 C ATOM 1016 C ILE A 74 2.807 -3.782 2.446 1.00 51.03 C ATOM 1017 O ILE A 74 3.967 -3.387 2.313 1.00 12.04 O ATOM 1018 CB ILE A 74 1.291 -2.633 0.702 1.00 42.31 C ATOM 1019 CG1 ILE A 74 0.055 -1.687 0.510 1.00 1.54 C ATOM 1020 CG2 ILE A 74 1.056 -4.000 0.002 1.00 54.50 C ATOM 1021 CD1 ILE A 74 -0.361 -1.453 -0.934 1.00 52.01 C ATOM 0 H ILE A 74 2.387 -0.863 2.283 1.00 33.34 H new ATOM 0 HA ILE A 74 0.717 -3.247 2.696 1.00 43.11 H new ATOM 0 HB ILE A 74 2.159 -2.170 0.232 1.00 42.31 H new ATOM 0 HG12 ILE A 74 -0.792 -2.107 1.052 1.00 1.54 H new ATOM 0 HG13 ILE A 74 0.280 -0.724 0.968 1.00 1.54 H new ATOM 0 HG21 ILE A 74 0.840 -3.836 -1.054 1.00 54.50 H new ATOM 0 HG22 ILE A 74 1.950 -4.616 0.098 1.00 54.50 H new ATOM 0 HG23 ILE A 74 0.213 -4.508 0.470 1.00 54.50 H new ATOM 0 HD11 ILE A 74 -1.223 -0.787 -0.961 1.00 52.01 H new ATOM 0 HD12 ILE A 74 0.465 -1.000 -1.482 1.00 52.01 H new ATOM 0 HD13 ILE A 74 -0.624 -2.405 -1.396 1.00 52.01 H new ATOM 1033 N HIS A 75 2.505 -5.042 2.784 1.00 11.15 N ATOM 1034 CA HIS A 75 3.508 -6.062 3.169 1.00 54.42 C ATOM 1035 C HIS A 75 3.657 -7.140 2.080 1.00 41.32 C ATOM 1036 O HIS A 75 2.669 -7.540 1.458 1.00 74.35 O ATOM 1037 CB HIS A 75 3.096 -6.704 4.515 1.00 50.20 C ATOM 1038 CG HIS A 75 3.218 -5.769 5.689 1.00 24.33 C ATOM 1039 ND1 HIS A 75 4.185 -5.905 6.660 1.00 25.40 N ATOM 1040 CD2 HIS A 75 2.505 -4.672 6.038 1.00 65.12 C ATOM 1041 CE1 HIS A 75 4.064 -4.938 7.543 1.00 42.21 C ATOM 1042 NE2 HIS A 75 3.054 -4.177 7.194 1.00 33.33 N ATOM 0 H HIS A 75 1.548 -5.393 2.800 1.00 11.15 H new ATOM 0 HA HIS A 75 4.476 -5.574 3.280 1.00 54.42 H new ATOM 0 HB2 HIS A 75 2.065 -7.051 4.443 1.00 50.20 H new ATOM 0 HB3 HIS A 75 3.716 -7.582 4.694 1.00 50.20 H new ATOM 0 HD2 HIS A 75 1.660 -4.262 5.505 1.00 65.12 H new ATOM 0 HE1 HIS A 75 4.691 -4.794 8.410 1.00 42.21 H new ATOM 0 HE2 HIS A 75 2.730 -3.352 7.699 1.00 33.33 H new ATOM 1051 N LEU A 76 4.906 -7.609 1.877 1.00 61.43 N ATOM 1052 CA LEU A 76 5.270 -8.622 0.857 1.00 21.12 C ATOM 1053 C LEU A 76 6.207 -9.698 1.460 1.00 32.11 C ATOM 1054 O LEU A 76 6.838 -9.483 2.502 1.00 74.55 O ATOM 1055 CB LEU A 76 5.949 -7.954 -0.379 1.00 53.10 C ATOM 1056 CG LEU A 76 5.078 -6.929 -1.184 1.00 2.10 C ATOM 1057 CD1 LEU A 76 5.871 -6.312 -2.355 1.00 63.01 C ATOM 1058 CD2 LEU A 76 3.761 -7.570 -1.690 1.00 71.14 C ATOM 0 H LEU A 76 5.705 -7.291 2.425 1.00 61.43 H new ATOM 0 HA LEU A 76 4.350 -9.104 0.527 1.00 21.12 H new ATOM 0 HB2 LEU A 76 6.850 -7.444 -0.039 1.00 53.10 H new ATOM 0 HB3 LEU A 76 6.267 -8.742 -1.061 1.00 53.10 H new ATOM 0 HG LEU A 76 4.814 -6.126 -0.496 1.00 2.10 H new ATOM 0 HD11 LEU A 76 5.237 -5.606 -2.892 1.00 63.01 H new ATOM 0 HD12 LEU A 76 6.747 -5.791 -1.967 1.00 63.01 H new ATOM 0 HD13 LEU A 76 6.190 -7.102 -3.035 1.00 63.01 H new ATOM 0 HD21 LEU A 76 3.185 -6.829 -2.243 1.00 71.14 H new ATOM 0 HD22 LEU A 76 3.993 -8.411 -2.344 1.00 71.14 H new ATOM 0 HD23 LEU A 76 3.178 -7.922 -0.839 1.00 71.14 H new ATOM 1070 N LYS A 77 6.285 -10.869 0.802 1.00 45.33 N ATOM 1071 CA LYS A 77 7.190 -11.966 1.221 1.00 32.34 C ATOM 1072 C LYS A 77 7.871 -12.614 0.007 1.00 74.21 C ATOM 1073 O LYS A 77 7.295 -12.672 -1.082 1.00 42.40 O ATOM 1074 CB LYS A 77 6.426 -13.037 2.055 1.00 55.11 C ATOM 1075 CG LYS A 77 5.310 -13.809 1.303 1.00 43.11 C ATOM 1076 CD LYS A 77 4.473 -14.708 2.251 1.00 13.24 C ATOM 1077 CE LYS A 77 3.372 -15.504 1.523 1.00 23.43 C ATOM 1078 NZ LYS A 77 3.925 -16.585 0.668 1.00 2.01 N ATOM 0 H LYS A 77 5.731 -11.085 -0.027 1.00 45.33 H new ATOM 0 HA LYS A 77 7.964 -11.531 1.854 1.00 32.34 H new ATOM 0 HB2 LYS A 77 7.149 -13.759 2.434 1.00 55.11 H new ATOM 0 HB3 LYS A 77 5.982 -12.547 2.921 1.00 55.11 H new ATOM 0 HG2 LYS A 77 4.651 -13.097 0.806 1.00 43.11 H new ATOM 0 HG3 LYS A 77 5.759 -14.425 0.524 1.00 43.11 H new ATOM 0 HD2 LYS A 77 5.138 -15.405 2.761 1.00 13.24 H new ATOM 0 HD3 LYS A 77 4.014 -14.086 3.019 1.00 13.24 H new ATOM 0 HE2 LYS A 77 2.694 -15.937 2.259 1.00 23.43 H new ATOM 0 HE3 LYS A 77 2.782 -14.824 0.908 1.00 23.43 H new ATOM 0 HZ1 LYS A 77 3.149 -17.185 0.322 1.00 2.01 H new ATOM 0 HZ2 LYS A 77 4.426 -16.166 -0.141 1.00 2.01 H new ATOM 0 HZ3 LYS A 77 4.588 -17.163 1.224 1.00 2.01 H new ATOM 1092 N HIS A 78 9.103 -13.097 0.204 1.00 33.03 N ATOM 1093 CA HIS A 78 9.867 -13.771 -0.860 1.00 43.35 C ATOM 1094 C HIS A 78 9.357 -15.217 -1.033 1.00 24.14 C ATOM 1095 O HIS A 78 9.385 -16.007 -0.081 1.00 62.21 O ATOM 1096 CB HIS A 78 11.375 -13.738 -0.523 1.00 4.12 C ATOM 1097 CG HIS A 78 11.912 -12.337 -0.345 1.00 25.32 C ATOM 1098 ND1 HIS A 78 12.843 -11.988 0.607 1.00 40.13 N ATOM 1099 CD2 HIS A 78 11.632 -11.192 -1.013 1.00 13.24 C ATOM 1100 CE1 HIS A 78 13.108 -10.701 0.512 1.00 12.31 C ATOM 1101 NE2 HIS A 78 12.390 -10.197 -0.462 1.00 53.34 N ATOM 0 H HIS A 78 9.597 -13.035 1.094 1.00 33.03 H new ATOM 0 HA HIS A 78 9.723 -13.248 -1.805 1.00 43.35 H new ATOM 0 HB2 HIS A 78 11.550 -14.306 0.391 1.00 4.12 H new ATOM 0 HB3 HIS A 78 11.930 -14.235 -1.319 1.00 4.12 H new ATOM 0 HD2 HIS A 78 10.936 -11.085 -1.832 1.00 13.24 H new ATOM 0 HE1 HIS A 78 13.801 -10.153 1.133 1.00 12.31 H new ATOM 0 HE2 HIS A 78 12.396 -9.222 -0.760 1.00 53.34 H new ATOM 1110 N GLY A 79 8.876 -15.549 -2.247 1.00 11.42 N ATOM 1111 CA GLY A 79 8.266 -16.858 -2.514 1.00 43.12 C ATOM 1112 C GLY A 79 9.294 -17.939 -2.818 1.00 15.32 C ATOM 1113 O GLY A 79 10.036 -18.372 -1.930 1.00 10.10 O ATOM 0 H GLY A 79 8.900 -14.927 -3.055 1.00 11.42 H new ATOM 0 HA2 GLY A 79 7.673 -17.160 -1.651 1.00 43.12 H new ATOM 0 HA3 GLY A 79 7.580 -16.769 -3.356 1.00 43.12 H new ATOM 1117 N LEU A 80 9.314 -18.401 -4.073 1.00 14.02 N ATOM 1118 CA LEU A 80 10.378 -19.277 -4.581 1.00 60.24 C ATOM 1119 C LEU A 80 11.601 -18.393 -4.930 1.00 0.14 C ATOM 1120 O LEU A 80 11.526 -17.582 -5.860 1.00 35.21 O ATOM 1121 CB LEU A 80 9.897 -20.082 -5.831 1.00 3.51 C ATOM 1122 CG LEU A 80 8.748 -21.138 -5.602 1.00 74.41 C ATOM 1123 CD1 LEU A 80 7.370 -20.478 -5.354 1.00 61.01 C ATOM 1124 CD2 LEU A 80 8.669 -22.143 -6.771 1.00 32.10 C ATOM 0 H LEU A 80 8.597 -18.180 -4.764 1.00 14.02 H new ATOM 0 HA LEU A 80 10.650 -20.008 -3.819 1.00 60.24 H new ATOM 0 HB2 LEU A 80 9.558 -19.370 -6.583 1.00 3.51 H new ATOM 0 HB3 LEU A 80 10.758 -20.603 -6.251 1.00 3.51 H new ATOM 0 HG LEU A 80 9.008 -21.682 -4.694 1.00 74.41 H new ATOM 0 HD11 LEU A 80 6.618 -21.252 -5.203 1.00 61.01 H new ATOM 0 HD12 LEU A 80 7.424 -19.846 -4.467 1.00 61.01 H new ATOM 0 HD13 LEU A 80 7.097 -19.870 -6.217 1.00 61.01 H new ATOM 0 HD21 LEU A 80 7.868 -22.857 -6.583 1.00 32.10 H new ATOM 0 HD22 LEU A 80 8.467 -21.607 -7.699 1.00 32.10 H new ATOM 0 HD23 LEU A 80 9.616 -22.675 -6.858 1.00 32.10 H new ATOM 1136 N GLU A 81 12.720 -18.538 -4.180 1.00 21.24 N ATOM 1137 CA GLU A 81 13.889 -17.629 -4.322 1.00 14.22 C ATOM 1138 C GLU A 81 14.661 -17.866 -5.639 1.00 62.53 C ATOM 1139 O GLU A 81 14.539 -18.913 -6.286 1.00 1.02 O ATOM 1140 CB GLU A 81 14.837 -17.682 -3.071 1.00 1.22 C ATOM 1141 CG GLU A 81 14.638 -16.513 -2.065 1.00 61.45 C ATOM 1142 CD GLU A 81 14.839 -15.116 -2.704 1.00 10.14 C ATOM 1143 OE1 GLU A 81 15.985 -14.778 -3.085 1.00 35.43 O ATOM 1144 OE2 GLU A 81 13.851 -14.363 -2.863 1.00 20.20 O ATOM 0 H GLU A 81 12.840 -19.267 -3.477 1.00 21.24 H new ATOM 0 HA GLU A 81 13.487 -16.617 -4.372 1.00 14.22 H new ATOM 0 HB2 GLU A 81 14.678 -18.626 -2.549 1.00 1.22 H new ATOM 0 HB3 GLU A 81 15.872 -17.678 -3.414 1.00 1.22 H new ATOM 0 HG2 GLU A 81 13.634 -16.572 -1.644 1.00 61.45 H new ATOM 0 HG3 GLU A 81 15.338 -16.631 -1.238 1.00 61.45 H new ATOM 1151 N HIS A 82 15.497 -16.881 -5.978 1.00 33.40 N ATOM 1152 CA HIS A 82 16.012 -16.673 -7.351 1.00 14.02 C ATOM 1153 C HIS A 82 17.232 -17.564 -7.705 1.00 22.14 C ATOM 1154 O HIS A 82 17.587 -17.649 -8.879 1.00 1.54 O ATOM 1155 CB HIS A 82 16.325 -15.168 -7.517 1.00 54.12 C ATOM 1156 CG HIS A 82 15.119 -14.289 -7.248 1.00 4.13 C ATOM 1157 ND1 HIS A 82 14.707 -13.945 -5.968 1.00 75.22 N ATOM 1158 CD2 HIS A 82 14.194 -13.751 -8.083 1.00 4.42 C ATOM 1159 CE1 HIS A 82 13.589 -13.250 -6.036 1.00 61.44 C ATOM 1160 NE2 HIS A 82 13.257 -13.115 -7.302 1.00 24.35 N ATOM 0 H HIS A 82 15.844 -16.195 -5.308 1.00 33.40 H new ATOM 0 HA HIS A 82 15.244 -16.983 -8.060 1.00 14.02 H new ATOM 0 HB2 HIS A 82 17.131 -14.891 -6.837 1.00 54.12 H new ATOM 0 HB3 HIS A 82 16.685 -14.985 -8.529 1.00 54.12 H new ATOM 0 HD2 HIS A 82 14.194 -13.811 -9.161 1.00 4.42 H new ATOM 0 HE1 HIS A 82 13.038 -12.857 -5.194 1.00 61.44 H new ATOM 0 HE2 HIS A 82 12.436 -12.618 -7.649 1.00 24.35 H new ATOM 1169 N HIS A 83 17.820 -18.234 -6.680 1.00 64.31 N ATOM 1170 CA HIS A 83 18.922 -19.250 -6.785 1.00 24.22 C ATOM 1171 C HIS A 83 20.093 -18.901 -7.770 1.00 71.15 C ATOM 1172 O HIS A 83 21.184 -18.524 -7.323 1.00 21.23 O ATOM 1173 CB HIS A 83 18.363 -20.704 -7.003 1.00 54.11 C ATOM 1174 CG HIS A 83 17.452 -20.915 -8.196 1.00 23.12 C ATOM 1175 ND1 HIS A 83 17.915 -21.249 -9.451 1.00 74.30 N ATOM 1176 CD2 HIS A 83 16.099 -20.851 -8.316 1.00 72.33 C ATOM 1177 CE1 HIS A 83 16.896 -21.373 -10.278 1.00 51.10 C ATOM 1178 NE2 HIS A 83 15.787 -21.142 -9.615 1.00 14.13 N ATOM 0 H HIS A 83 17.533 -18.081 -5.713 1.00 64.31 H new ATOM 0 HA HIS A 83 19.403 -19.214 -5.808 1.00 24.22 H new ATOM 0 HB2 HIS A 83 19.210 -21.383 -7.099 1.00 54.11 H new ATOM 0 HB3 HIS A 83 17.820 -20.997 -6.105 1.00 54.11 H new ATOM 0 HD2 HIS A 83 15.399 -20.614 -7.529 1.00 72.33 H new ATOM 0 HE1 HIS A 83 16.963 -21.623 -11.327 1.00 51.10 H new ATOM 0 HE2 HIS A 83 14.845 -21.174 -10.005 1.00 14.13 H new ATOM 1187 N HIS A 84 19.869 -19.039 -9.099 1.00 63.20 N ATOM 1188 CA HIS A 84 20.893 -18.746 -10.137 1.00 20.22 C ATOM 1189 C HIS A 84 21.177 -17.226 -10.210 1.00 72.43 C ATOM 1190 O HIS A 84 22.309 -16.801 -10.487 1.00 43.25 O ATOM 1191 CB HIS A 84 20.414 -19.306 -11.500 1.00 44.04 C ATOM 1192 CG HIS A 84 21.397 -19.162 -12.638 1.00 71.22 C ATOM 1193 ND1 HIS A 84 21.065 -18.609 -13.855 1.00 53.31 N ATOM 1194 CD2 HIS A 84 22.701 -19.522 -12.744 1.00 3.30 C ATOM 1195 CE1 HIS A 84 22.110 -18.634 -14.653 1.00 13.31 C ATOM 1196 NE2 HIS A 84 23.114 -19.182 -14.006 1.00 12.13 N ATOM 0 H HIS A 84 18.978 -19.355 -9.483 1.00 63.20 H new ATOM 0 HA HIS A 84 21.831 -19.234 -9.873 1.00 20.22 H new ATOM 0 HB2 HIS A 84 20.178 -20.363 -11.377 1.00 44.04 H new ATOM 0 HB3 HIS A 84 19.488 -18.802 -11.776 1.00 44.04 H new ATOM 0 HD2 HIS A 84 23.301 -19.989 -11.977 1.00 3.30 H new ATOM 0 HE1 HIS A 84 22.138 -18.266 -15.668 1.00 13.31 H new ATOM 0 HE2 HIS A 84 24.050 -19.330 -14.382 1.00 12.13 H new ATOM 1205 N HIS A 85 20.124 -16.419 -9.981 1.00 51.31 N ATOM 1206 CA HIS A 85 20.272 -14.990 -9.663 1.00 23.14 C ATOM 1207 C HIS A 85 20.616 -14.875 -8.154 1.00 2.33 C ATOM 1208 O HIS A 85 19.839 -15.318 -7.298 1.00 4.25 O ATOM 1209 CB HIS A 85 18.970 -14.215 -10.013 1.00 51.53 C ATOM 1210 CG HIS A 85 19.100 -12.711 -9.919 1.00 24.45 C ATOM 1211 ND1 HIS A 85 19.356 -11.911 -11.010 1.00 50.43 N ATOM 1212 CD2 HIS A 85 19.013 -11.867 -8.861 1.00 13.43 C ATOM 1213 CE1 HIS A 85 19.429 -10.655 -10.627 1.00 12.31 C ATOM 1214 NE2 HIS A 85 19.222 -10.598 -9.331 1.00 4.12 N ATOM 0 H HIS A 85 19.155 -16.738 -10.011 1.00 51.31 H new ATOM 0 HA HIS A 85 21.071 -14.545 -10.256 1.00 23.14 H new ATOM 0 HB2 HIS A 85 18.664 -14.480 -11.025 1.00 51.53 H new ATOM 0 HB3 HIS A 85 18.174 -14.542 -9.344 1.00 51.53 H new ATOM 0 HD2 HIS A 85 18.815 -12.145 -7.836 1.00 13.43 H new ATOM 0 HE1 HIS A 85 19.626 -9.811 -11.271 1.00 12.31 H new ATOM 0 HE2 HIS A 85 19.218 -9.748 -8.767 1.00 4.12 H new ATOM 1223 N HIS A 86 21.754 -14.240 -7.836 1.00 20.13 N ATOM 1224 CA HIS A 86 22.389 -14.311 -6.492 1.00 73.51 C ATOM 1225 C HIS A 86 21.754 -13.359 -5.436 1.00 11.34 C ATOM 1226 O HIS A 86 22.381 -13.073 -4.402 1.00 62.12 O ATOM 1227 CB HIS A 86 23.901 -14.015 -6.649 1.00 22.05 C ATOM 1228 CG HIS A 86 24.638 -15.016 -7.509 1.00 54.51 C ATOM 1229 ND1 HIS A 86 25.332 -16.087 -6.989 1.00 72.32 N ATOM 1230 CD2 HIS A 86 24.787 -15.104 -8.858 1.00 45.21 C ATOM 1231 CE1 HIS A 86 25.866 -16.784 -7.969 1.00 15.55 C ATOM 1232 NE2 HIS A 86 25.553 -16.210 -9.111 1.00 74.35 N ATOM 0 H HIS A 86 22.268 -13.659 -8.498 1.00 20.13 H new ATOM 0 HA HIS A 86 22.221 -15.316 -6.106 1.00 73.51 H new ATOM 0 HB2 HIS A 86 24.023 -13.021 -7.080 1.00 22.05 H new ATOM 0 HB3 HIS A 86 24.361 -13.992 -5.661 1.00 22.05 H new ATOM 0 HD2 HIS A 86 24.377 -14.427 -9.593 1.00 45.21 H new ATOM 0 HE1 HIS A 86 26.462 -17.678 -7.855 1.00 15.55 H new ATOM 0 HE2 HIS A 86 25.835 -16.536 -10.035 1.00 74.35 H new ATOM 1241 N HIS A 87 20.505 -12.904 -5.671 1.00 10.34 N ATOM 1242 CA HIS A 87 19.769 -12.034 -4.721 1.00 75.31 C ATOM 1243 C HIS A 87 18.248 -12.071 -4.983 1.00 11.23 C ATOM 1244 O HIS A 87 17.767 -12.665 -5.950 1.00 12.35 O ATOM 1245 CB HIS A 87 20.296 -10.576 -4.795 1.00 1.41 C ATOM 1246 CG HIS A 87 19.809 -9.684 -3.676 1.00 22.10 C ATOM 1247 ND1 HIS A 87 19.005 -8.581 -3.877 1.00 42.22 N ATOM 1248 CD2 HIS A 87 20.033 -9.733 -2.336 1.00 71.13 C ATOM 1249 CE1 HIS A 87 18.758 -7.999 -2.720 1.00 30.23 C ATOM 1250 NE2 HIS A 87 19.368 -8.678 -1.774 1.00 65.35 N ATOM 0 H HIS A 87 19.979 -13.125 -6.517 1.00 10.34 H new ATOM 0 HA HIS A 87 19.944 -12.419 -3.717 1.00 75.31 H new ATOM 0 HB2 HIS A 87 21.386 -10.594 -4.782 1.00 1.41 H new ATOM 0 HB3 HIS A 87 19.996 -10.141 -5.748 1.00 1.41 H new ATOM 0 HD2 HIS A 87 20.626 -10.468 -1.812 1.00 71.13 H new ATOM 0 HE1 HIS A 87 18.156 -7.114 -2.574 1.00 30.23 H new ATOM 0 HE2 HIS A 87 19.349 -8.454 -0.779 1.00 65.35 H new TER 1259 HIS A 87