USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 41 SER OG : rot -72:sc= 1.46 USER MOD Set 1.2: A 47 THR OG1 : rot 122:sc= 2.12 USER MOD Set 1.3: A 49 TYR OH : rot 20:sc= 2.33 USER MOD Set 2.1: A 3 HIS : no HD1:sc= 0 X(o=0.017,f=0.12) USER MOD Set 2.2: A 5 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 2 THR OG1 : rot 26:sc= 0.304 USER MOD Single : A 4 HIS : no HD1:sc= 1.2 K(o=1.2,f=-3.8!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -123:sc= 1.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 28:sc= 0.724 USER MOD Single : A 24 ASN : amide:sc= 0.764 K(o=0.76,f=-7.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -125:sc= 0.0548 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -100:sc= 0.511 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 12.358 7.331 11.211 1.00 0.00 N ATOM 21 CA THR A 2 10.927 7.142 11.429 1.00 0.00 C ATOM 22 C THR A 2 10.379 6.140 10.404 1.00 0.00 C ATOM 23 O THR A 2 9.249 6.244 9.924 1.00 0.00 O ATOM 24 CB THR A 2 10.182 8.490 11.331 1.00 0.00 C ATOM 25 OG1 THR A 2 10.896 9.482 12.082 1.00 0.00 O ATOM 26 CG2 THR A 2 8.763 8.390 11.878 1.00 0.00 C ATOM 0 HA THR A 2 10.767 6.744 12.431 1.00 0.00 H new ATOM 0 HB THR A 2 10.127 8.766 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.842 9.231 12.139 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.271 9.359 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.205 7.647 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.797 8.092 12.926 1.00 0.00 H new ATOM 34 N HIS A 3 11.197 5.145 10.099 1.00 0.00 N ATOM 35 CA HIS A 3 10.894 4.208 9.032 1.00 0.00 C ATOM 36 C HIS A 3 10.317 2.917 9.591 1.00 0.00 C ATOM 37 O HIS A 3 10.706 2.465 10.667 1.00 0.00 O ATOM 38 CB HIS A 3 12.144 3.918 8.175 1.00 0.00 C ATOM 39 CG HIS A 3 13.106 2.915 8.756 1.00 0.00 C ATOM 40 ND1 HIS A 3 13.504 1.779 8.079 1.00 0.00 N ATOM 41 CD2 HIS A 3 13.760 2.885 9.941 1.00 0.00 C ATOM 42 CE1 HIS A 3 14.353 1.100 8.826 1.00 0.00 C ATOM 43 NE2 HIS A 3 14.524 1.749 9.958 1.00 0.00 N ATOM 0 H HIS A 3 12.079 4.966 10.578 1.00 0.00 H new ATOM 0 HA HIS A 3 10.143 4.668 8.389 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.819 3.561 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.677 4.855 8.011 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.692 3.622 10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.828 0.169 8.554 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.128 1.453 10.725 1.00 0.00 H new ATOM 52 N HIS A 4 9.373 2.344 8.865 1.00 0.00 N ATOM 53 CA HIS A 4 8.814 1.056 9.229 1.00 0.00 C ATOM 54 C HIS A 4 9.188 0.024 8.176 1.00 0.00 C ATOM 55 O HIS A 4 8.825 0.162 7.007 1.00 0.00 O ATOM 56 CB HIS A 4 7.289 1.139 9.365 1.00 0.00 C ATOM 57 CG HIS A 4 6.657 -0.129 9.838 1.00 0.00 C ATOM 58 ND1 HIS A 4 6.985 -0.752 11.021 1.00 0.00 N ATOM 59 CD2 HIS A 4 5.701 -0.885 9.272 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.258 -1.844 11.156 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.468 -1.950 10.107 1.00 0.00 N ATOM 0 H HIS A 4 8.977 2.752 8.018 1.00 0.00 H new ATOM 0 HA HIS A 4 9.224 0.758 10.194 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.038 1.940 10.060 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.861 1.409 8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.206 -0.690 8.332 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.303 -2.534 11.986 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.795 -2.699 9.942 1.00 0.00 H new ATOM 70 N THR A 5 9.923 -0.989 8.596 1.00 0.00 N ATOM 71 CA THR A 5 10.304 -2.081 7.726 1.00 0.00 C ATOM 72 C THR A 5 9.551 -3.344 8.122 1.00 0.00 C ATOM 73 O THR A 5 9.533 -3.725 9.295 1.00 0.00 O ATOM 74 CB THR A 5 11.817 -2.321 7.797 1.00 0.00 C ATOM 75 OG1 THR A 5 12.375 -1.569 8.886 1.00 0.00 O ATOM 76 CG2 THR A 5 12.489 -1.915 6.497 1.00 0.00 C ATOM 0 H THR A 5 10.272 -1.076 9.551 1.00 0.00 H new ATOM 0 HA THR A 5 10.045 -1.819 6.700 1.00 0.00 H new ATOM 0 HB THR A 5 11.992 -3.385 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.341 -1.725 8.930 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.562 -2.094 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.078 -2.503 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.310 -0.856 6.310 1.00 0.00 H new ATOM 84 N GLU A 6 8.913 -3.978 7.158 1.00 0.00 N ATOM 85 CA GLU A 6 8.036 -5.101 7.449 1.00 0.00 C ATOM 86 C GLU A 6 7.899 -6.003 6.230 1.00 0.00 C ATOM 87 O GLU A 6 7.914 -5.524 5.100 1.00 0.00 O ATOM 88 CB GLU A 6 6.666 -4.561 7.870 1.00 0.00 C ATOM 89 CG GLU A 6 5.704 -5.608 8.400 1.00 0.00 C ATOM 90 CD GLU A 6 4.420 -4.990 8.908 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.423 -4.448 10.036 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.407 -5.030 8.189 1.00 0.00 O ATOM 0 H GLU A 6 8.983 -3.738 6.169 1.00 0.00 H new ATOM 0 HA GLU A 6 8.461 -5.695 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.811 -3.800 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.207 -4.067 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.475 -6.323 7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.182 -6.165 9.206 1.00 0.00 H new ATOM 99 N VAL A 7 7.785 -7.302 6.460 1.00 0.00 N ATOM 100 CA VAL A 7 7.564 -8.249 5.378 1.00 0.00 C ATOM 101 C VAL A 7 6.183 -8.878 5.509 1.00 0.00 C ATOM 102 O VAL A 7 5.835 -9.430 6.558 1.00 0.00 O ATOM 103 CB VAL A 7 8.641 -9.356 5.342 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.335 -10.385 4.263 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.014 -8.749 5.111 1.00 0.00 C ATOM 0 H VAL A 7 7.842 -7.725 7.387 1.00 0.00 H new ATOM 0 HA VAL A 7 7.631 -7.694 4.442 1.00 0.00 H new ATOM 0 HB VAL A 7 8.634 -9.863 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.110 -11.152 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.368 -10.847 4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.308 -9.895 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.763 -9.541 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.021 -8.216 4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.245 -8.054 5.919 1.00 0.00 H new ATOM 115 N PHE A 8 5.399 -8.777 4.447 1.00 0.00 N ATOM 116 CA PHE A 8 4.038 -9.284 4.443 1.00 0.00 C ATOM 117 C PHE A 8 3.836 -10.236 3.267 1.00 0.00 C ATOM 118 O PHE A 8 3.793 -9.798 2.122 1.00 0.00 O ATOM 119 CB PHE A 8 3.060 -8.110 4.341 1.00 0.00 C ATOM 120 CG PHE A 8 1.630 -8.458 4.639 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.193 -8.567 5.948 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.721 -8.650 3.613 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.127 -8.863 6.229 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.599 -8.951 3.888 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.023 -9.054 5.197 1.00 0.00 C ATOM 0 H PHE A 8 5.687 -8.344 3.569 1.00 0.00 H new ATOM 0 HA PHE A 8 3.854 -9.830 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.380 -7.327 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.117 -7.694 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.891 -8.419 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.047 -8.564 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.457 -8.945 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.298 -9.105 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.056 -9.284 5.414 1.00 0.00 H new ATOM 135 N GLU A 9 3.742 -11.536 3.557 1.00 0.00 N ATOM 136 CA GLU A 9 3.463 -12.559 2.539 1.00 0.00 C ATOM 137 C GLU A 9 4.494 -12.527 1.402 1.00 0.00 C ATOM 138 O GLU A 9 4.193 -12.901 0.263 1.00 0.00 O ATOM 139 CB GLU A 9 2.050 -12.377 1.970 1.00 0.00 C ATOM 140 CG GLU A 9 0.952 -12.446 3.023 1.00 0.00 C ATOM 141 CD GLU A 9 0.953 -13.754 3.787 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.339 -14.730 3.310 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.556 -13.808 4.880 1.00 0.00 O ATOM 0 H GLU A 9 3.856 -11.911 4.499 1.00 0.00 H new ATOM 0 HA GLU A 9 3.532 -13.531 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.994 -11.414 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.869 -13.145 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.075 -11.621 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.016 -12.313 2.541 1.00 0.00 H new ATOM 150 N GLY A 10 5.714 -12.109 1.719 1.00 0.00 N ATOM 151 CA GLY A 10 6.753 -12.024 0.709 1.00 0.00 C ATOM 152 C GLY A 10 6.972 -10.606 0.212 1.00 0.00 C ATOM 153 O GLY A 10 7.934 -10.336 -0.510 1.00 0.00 O ATOM 0 H GLY A 10 6.002 -11.828 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.686 -12.409 1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.488 -12.663 -0.133 1.00 0.00 H new ATOM 157 N GLY A 11 6.077 -9.705 0.594 1.00 0.00 N ATOM 158 CA GLY A 11 6.193 -8.317 0.191 1.00 0.00 C ATOM 159 C GLY A 11 6.984 -7.507 1.192 1.00 0.00 C ATOM 160 O GLY A 11 6.905 -7.753 2.393 1.00 0.00 O ATOM 0 H GLY A 11 5.268 -9.912 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.676 -8.261 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.198 -7.886 0.080 1.00 0.00 H new ATOM 164 N THR A 12 7.742 -6.540 0.705 1.00 0.00 N ATOM 165 CA THR A 12 8.592 -5.735 1.567 1.00 0.00 C ATOM 166 C THR A 12 8.011 -4.337 1.740 1.00 0.00 C ATOM 167 O THR A 12 7.770 -3.632 0.764 1.00 0.00 O ATOM 168 CB THR A 12 10.018 -5.640 0.992 1.00 0.00 C ATOM 169 OG1 THR A 12 10.513 -6.961 0.731 1.00 0.00 O ATOM 170 CG2 THR A 12 10.956 -4.932 1.958 1.00 0.00 C ATOM 0 H THR A 12 7.787 -6.293 -0.284 1.00 0.00 H new ATOM 0 HA THR A 12 8.638 -6.221 2.541 1.00 0.00 H new ATOM 0 HB THR A 12 9.978 -5.062 0.069 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.420 -6.904 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.954 -4.881 1.524 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.590 -3.923 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.997 -5.485 2.897 1.00 0.00 H new ATOM 178 N ILE A 13 7.777 -3.953 2.981 1.00 0.00 N ATOM 179 CA ILE A 13 7.217 -2.649 3.285 1.00 0.00 C ATOM 180 C ILE A 13 8.319 -1.669 3.665 1.00 0.00 C ATOM 181 O ILE A 13 9.056 -1.889 4.629 1.00 0.00 O ATOM 182 CB ILE A 13 6.196 -2.733 4.444 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.984 -3.577 4.035 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.751 -1.345 4.888 1.00 0.00 C ATOM 185 CD1 ILE A 13 4.186 -2.974 2.900 1.00 0.00 C ATOM 0 H ILE A 13 7.968 -4.530 3.800 1.00 0.00 H new ATOM 0 HA ILE A 13 6.706 -2.298 2.388 1.00 0.00 H new ATOM 0 HB ILE A 13 6.688 -3.216 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.325 -4.570 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.332 -3.706 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.034 -1.436 5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.617 -0.777 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.284 -0.827 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.343 -3.623 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.816 -1.993 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.823 -2.871 2.022 1.00 0.00 H new ATOM 197 N ASP A 14 8.422 -0.596 2.897 1.00 0.00 N ATOM 198 CA ASP A 14 9.376 0.461 3.180 1.00 0.00 C ATOM 199 C ASP A 14 8.630 1.770 3.397 1.00 0.00 C ATOM 200 O ASP A 14 8.188 2.408 2.439 1.00 0.00 O ATOM 201 CB ASP A 14 10.372 0.635 2.027 1.00 0.00 C ATOM 202 CG ASP A 14 11.123 -0.633 1.674 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.210 -0.872 2.250 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.646 -1.385 0.795 1.00 0.00 O ATOM 0 H ASP A 14 7.851 -0.435 2.067 1.00 0.00 H new ATOM 0 HA ASP A 14 9.931 0.187 4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.836 0.987 1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.091 1.410 2.293 1.00 0.00 H new ATOM 209 N ILE A 15 8.475 2.160 4.647 1.00 0.00 N ATOM 210 CA ILE A 15 7.807 3.410 4.978 1.00 0.00 C ATOM 211 C ILE A 15 8.802 4.371 5.597 1.00 0.00 C ATOM 212 O ILE A 15 9.400 4.065 6.620 1.00 0.00 O ATOM 213 CB ILE A 15 6.638 3.195 5.966 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.639 2.178 5.406 1.00 0.00 C ATOM 215 CG2 ILE A 15 5.943 4.518 6.257 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.510 1.847 6.362 1.00 0.00 C ATOM 0 H ILE A 15 8.803 1.630 5.454 1.00 0.00 H new ATOM 0 HA ILE A 15 7.402 3.820 4.053 1.00 0.00 H new ATOM 0 HB ILE A 15 7.042 2.801 6.898 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.217 2.568 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.170 1.261 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.122 4.352 6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.657 5.215 6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.552 4.936 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.842 1.121 5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.922 1.427 7.280 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.954 2.755 6.596 1.00 0.00 H new ATOM 228 N GLU A 16 8.988 5.525 4.980 1.00 0.00 N ATOM 229 CA GLU A 16 9.939 6.502 5.482 1.00 0.00 C ATOM 230 C GLU A 16 9.243 7.806 5.810 1.00 0.00 C ATOM 231 O GLU A 16 8.429 8.298 5.024 1.00 0.00 O ATOM 232 CB GLU A 16 11.012 6.793 4.447 1.00 0.00 C ATOM 233 CG GLU A 16 12.379 7.096 5.040 1.00 0.00 C ATOM 234 CD GLU A 16 13.414 7.386 3.975 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.415 8.506 3.429 1.00 0.00 O ATOM 236 OE2 GLU A 16 14.228 6.489 3.669 1.00 0.00 O ATOM 0 H GLU A 16 8.495 5.808 4.133 1.00 0.00 H new ATOM 0 HA GLU A 16 10.391 6.080 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.099 5.936 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.695 7.641 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.300 7.952 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.708 6.249 5.642 1.00 0.00 H new ATOM 243 N ASP A 17 9.562 8.349 6.975 1.00 0.00 N ATOM 244 CA ASP A 17 9.134 9.690 7.365 1.00 0.00 C ATOM 245 C ASP A 17 7.603 9.827 7.396 1.00 0.00 C ATOM 246 O ASP A 17 7.063 10.931 7.480 1.00 0.00 O ATOM 247 CB ASP A 17 9.764 10.723 6.414 1.00 0.00 C ATOM 248 CG ASP A 17 9.477 12.161 6.801 1.00 0.00 C ATOM 249 OD1 ASP A 17 9.971 12.612 7.854 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.774 12.858 6.038 1.00 0.00 O ATOM 0 H ASP A 17 10.126 7.874 7.680 1.00 0.00 H new ATOM 0 HA ASP A 17 9.479 9.876 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.843 10.571 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.394 10.547 5.404 1.00 0.00 H new ATOM 255 N ASP A 18 6.910 8.688 7.365 1.00 0.00 N ATOM 256 CA ASP A 18 5.440 8.648 7.275 1.00 0.00 C ATOM 257 C ASP A 18 4.932 9.394 6.042 1.00 0.00 C ATOM 258 O ASP A 18 3.756 9.755 5.962 1.00 0.00 O ATOM 259 CB ASP A 18 4.783 9.232 8.529 1.00 0.00 C ATOM 260 CG ASP A 18 4.861 8.303 9.720 1.00 0.00 C ATOM 261 OD1 ASP A 18 4.146 7.280 9.730 1.00 0.00 O ATOM 262 OD2 ASP A 18 5.623 8.599 10.661 1.00 0.00 O ATOM 0 H ASP A 18 7.346 7.766 7.401 1.00 0.00 H new ATOM 0 HA ASP A 18 5.163 7.597 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.265 10.177 8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.737 9.454 8.316 1.00 0.00 H new ATOM 267 N THR A 19 5.819 9.613 5.081 1.00 0.00 N ATOM 268 CA THR A 19 5.472 10.320 3.860 1.00 0.00 C ATOM 269 C THR A 19 5.849 9.495 2.635 1.00 0.00 C ATOM 270 O THR A 19 5.095 9.408 1.668 1.00 0.00 O ATOM 271 CB THR A 19 6.172 11.692 3.792 1.00 0.00 C ATOM 272 OG1 THR A 19 7.575 11.543 4.072 1.00 0.00 O ATOM 273 CG2 THR A 19 5.551 12.671 4.778 1.00 0.00 C ATOM 0 H THR A 19 6.791 9.308 5.126 1.00 0.00 H new ATOM 0 HA THR A 19 4.394 10.478 3.869 1.00 0.00 H new ATOM 0 HB THR A 19 6.043 12.090 2.785 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.819 12.112 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.063 13.631 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.496 12.805 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.649 12.279 5.790 1.00 0.00 H new ATOM 281 N SER A 20 7.023 8.885 2.685 1.00 0.00 N ATOM 282 CA SER A 20 7.495 8.048 1.601 1.00 0.00 C ATOM 283 C SER A 20 6.962 6.630 1.755 1.00 0.00 C ATOM 284 O SER A 20 7.427 5.870 2.607 1.00 0.00 O ATOM 285 CB SER A 20 9.023 8.038 1.582 1.00 0.00 C ATOM 286 OG SER A 20 9.536 9.352 1.432 1.00 0.00 O ATOM 0 H SER A 20 7.668 8.957 3.472 1.00 0.00 H new ATOM 0 HA SER A 20 7.130 8.454 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.399 7.600 2.506 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.376 7.410 0.764 1.00 0.00 H new ATOM 0 HG SER A 20 10.516 9.322 1.424 1.00 0.00 H new ATOM 292 N LEU A 21 5.963 6.288 0.953 1.00 0.00 N ATOM 293 CA LEU A 21 5.399 4.948 0.974 1.00 0.00 C ATOM 294 C LEU A 21 5.949 4.148 -0.200 1.00 0.00 C ATOM 295 O LEU A 21 5.694 4.474 -1.363 1.00 0.00 O ATOM 296 CB LEU A 21 3.864 5.018 0.896 1.00 0.00 C ATOM 297 CG LEU A 21 3.093 3.822 1.482 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.448 2.519 0.779 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.348 3.711 2.978 1.00 0.00 C ATOM 0 H LEU A 21 5.528 6.920 0.281 1.00 0.00 H new ATOM 0 HA LEU A 21 5.676 4.455 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.537 5.921 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.580 5.128 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 21 2.031 4.001 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.882 1.700 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.202 2.598 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.515 2.325 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.796 2.861 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.414 3.568 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.017 4.624 3.472 1.00 0.00 H new ATOM 311 N THR A 22 6.696 3.107 0.107 1.00 0.00 N ATOM 312 CA THR A 22 7.253 2.239 -0.912 1.00 0.00 C ATOM 313 C THR A 22 7.085 0.774 -0.527 1.00 0.00 C ATOM 314 O THR A 22 7.353 0.385 0.605 1.00 0.00 O ATOM 315 CB THR A 22 8.744 2.552 -1.155 1.00 0.00 C ATOM 316 OG1 THR A 22 9.330 3.099 0.032 1.00 0.00 O ATOM 317 CG2 THR A 22 8.917 3.529 -2.308 1.00 0.00 C ATOM 0 H THR A 22 6.933 2.840 1.062 1.00 0.00 H new ATOM 0 HA THR A 22 6.706 2.424 -1.837 1.00 0.00 H new ATOM 0 HB THR A 22 9.247 1.620 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.846 2.769 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.978 3.732 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.499 3.097 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.399 4.460 -2.077 1.00 0.00 H new ATOM 325 N ILE A 23 6.602 -0.026 -1.457 1.00 0.00 N ATOM 326 CA ILE A 23 6.488 -1.457 -1.245 1.00 0.00 C ATOM 327 C ILE A 23 7.379 -2.179 -2.242 1.00 0.00 C ATOM 328 O ILE A 23 7.171 -2.081 -3.450 1.00 0.00 O ATOM 329 CB ILE A 23 5.032 -1.954 -1.392 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.117 -1.229 -0.396 1.00 0.00 C ATOM 331 CG2 ILE A 23 4.961 -3.460 -1.175 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.656 -1.617 -0.513 1.00 0.00 C ATOM 0 H ILE A 23 6.281 0.292 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 23 6.803 -1.673 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 23 4.691 -1.732 -2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.459 -1.440 0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.211 -0.154 -0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.929 -3.795 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.584 -3.964 -1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.319 -3.701 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.073 -1.064 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.296 -1.380 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.548 -2.686 -0.332 1.00 0.00 H new ATOM 344 N ASN A 24 8.402 -2.857 -1.728 1.00 0.00 N ATOM 345 CA ASN A 24 9.381 -3.548 -2.568 1.00 0.00 C ATOM 346 C ASN A 24 10.127 -2.555 -3.455 1.00 0.00 C ATOM 347 O ASN A 24 10.665 -2.912 -4.506 1.00 0.00 O ATOM 348 CB ASN A 24 8.702 -4.629 -3.420 1.00 0.00 C ATOM 349 CG ASN A 24 8.360 -5.871 -2.618 1.00 0.00 C ATOM 350 OD1 ASN A 24 7.295 -5.962 -2.012 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.263 -6.841 -2.610 1.00 0.00 N ATOM 0 H ASN A 24 8.577 -2.944 -0.727 1.00 0.00 H new ATOM 0 HA ASN A 24 10.105 -4.035 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.791 -4.222 -3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.359 -4.903 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.085 -7.699 -2.089 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.136 -6.729 -3.125 1.00 0.00 H new ATOM 358 N GLY A 25 10.172 -1.306 -3.008 1.00 0.00 N ATOM 359 CA GLY A 25 10.846 -0.266 -3.759 1.00 0.00 C ATOM 360 C GLY A 25 9.907 0.478 -4.686 1.00 0.00 C ATOM 361 O GLY A 25 10.292 1.470 -5.302 1.00 0.00 O ATOM 0 H GLY A 25 9.751 -0.994 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.303 0.440 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.653 -0.708 -4.343 1.00 0.00 H new ATOM 365 N LYS A 26 8.671 0.005 -4.781 1.00 0.00 N ATOM 366 CA LYS A 26 7.680 0.623 -5.647 1.00 0.00 C ATOM 367 C LYS A 26 6.849 1.624 -4.852 1.00 0.00 C ATOM 368 O LYS A 26 6.242 1.270 -3.841 1.00 0.00 O ATOM 369 CB LYS A 26 6.778 -0.455 -6.252 1.00 0.00 C ATOM 370 CG LYS A 26 6.058 -0.015 -7.511 1.00 0.00 C ATOM 371 CD LYS A 26 7.049 0.313 -8.614 1.00 0.00 C ATOM 372 CE LYS A 26 6.348 0.656 -9.914 1.00 0.00 C ATOM 373 NZ LYS A 26 7.315 0.965 -10.999 1.00 0.00 N ATOM 0 H LYS A 26 8.332 -0.808 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 26 8.187 1.152 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.381 -1.335 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.040 -0.757 -5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.384 -0.804 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.443 0.859 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.673 1.151 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.713 -0.537 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.716 -0.179 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.692 1.512 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.797 1.194 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.901 1.778 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.925 0.139 -11.166 1.00 0.00 H new ATOM 387 N GLU A 27 6.833 2.873 -5.301 1.00 0.00 N ATOM 388 CA GLU A 27 6.117 3.926 -4.590 1.00 0.00 C ATOM 389 C GLU A 27 4.607 3.736 -4.703 1.00 0.00 C ATOM 390 O GLU A 27 4.067 3.558 -5.799 1.00 0.00 O ATOM 391 CB GLU A 27 6.512 5.304 -5.121 1.00 0.00 C ATOM 392 CG GLU A 27 5.885 6.452 -4.339 1.00 0.00 C ATOM 393 CD GLU A 27 6.279 7.812 -4.869 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.338 8.333 -4.454 1.00 0.00 O ATOM 395 OE2 GLU A 27 5.532 8.371 -5.696 1.00 0.00 O ATOM 0 H GLU A 27 7.306 3.181 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 27 6.395 3.862 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.597 5.401 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.216 5.381 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.800 6.356 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.181 6.376 -3.293 1.00 0.00 H new ATOM 402 N ILE A 28 3.935 3.765 -3.564 1.00 0.00 N ATOM 403 CA ILE A 28 2.493 3.621 -3.527 1.00 0.00 C ATOM 404 C ILE A 28 1.844 4.956 -3.193 1.00 0.00 C ATOM 405 O ILE A 28 1.791 5.364 -2.031 1.00 0.00 O ATOM 406 CB ILE A 28 2.051 2.566 -2.495 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.729 1.221 -2.776 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.538 2.412 -2.515 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.398 0.634 -4.137 1.00 0.00 C ATOM 0 H ILE A 28 4.370 3.888 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 28 2.172 3.288 -4.514 1.00 0.00 H new ATOM 0 HB ILE A 28 2.355 2.903 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.809 1.347 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.436 0.510 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.239 1.664 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.072 3.367 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.218 2.095 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.916 -0.317 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.323 0.473 -4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.717 1.324 -4.918 1.00 0.00 H new ATOM 421 N SER A 29 1.382 5.644 -4.219 1.00 0.00 N ATOM 422 CA SER A 29 0.755 6.937 -4.042 1.00 0.00 C ATOM 423 C SER A 29 -0.716 6.777 -3.659 1.00 0.00 C ATOM 424 O SER A 29 -1.535 6.341 -4.467 1.00 0.00 O ATOM 425 CB SER A 29 0.884 7.752 -5.323 1.00 0.00 C ATOM 426 OG SER A 29 2.216 7.719 -5.820 1.00 0.00 O ATOM 0 H SER A 29 1.430 5.327 -5.187 1.00 0.00 H new ATOM 0 HA SER A 29 1.261 7.463 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.202 7.360 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.589 8.784 -5.132 1.00 0.00 H new ATOM 0 HG SER A 29 2.271 8.248 -6.643 1.00 0.00 H new ATOM 432 N TYR A 30 -1.034 7.086 -2.410 1.00 0.00 N ATOM 433 CA TYR A 30 -2.420 7.118 -1.964 1.00 0.00 C ATOM 434 C TYR A 30 -3.026 8.469 -2.326 1.00 0.00 C ATOM 435 O TYR A 30 -2.297 9.411 -2.638 1.00 0.00 O ATOM 436 CB TYR A 30 -2.520 6.909 -0.451 1.00 0.00 C ATOM 437 CG TYR A 30 -1.925 5.611 0.038 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.592 4.406 -0.143 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.700 5.591 0.689 1.00 0.00 C ATOM 440 CE1 TYR A 30 -2.053 3.218 0.309 1.00 0.00 C ATOM 441 CE2 TYR A 30 -0.156 4.408 1.145 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.834 3.226 0.953 1.00 0.00 C ATOM 443 OH TYR A 30 -0.294 2.047 1.406 1.00 0.00 O ATOM 0 H TYR A 30 -0.352 7.318 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.962 6.311 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.020 7.737 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.570 6.946 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.548 4.398 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.164 6.516 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.583 2.289 0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.798 4.410 1.651 1.00 0.00 H new ATOM 0 HH TYR A 30 0.568 2.226 1.836 1.00 0.00 H new ATOM 618 N SER A 41 -7.197 3.777 -2.676 1.00 0.00 N ATOM 619 CA SER A 41 -5.842 4.230 -2.907 1.00 0.00 C ATOM 620 C SER A 41 -5.684 4.689 -4.354 1.00 0.00 C ATOM 621 O SER A 41 -5.846 5.868 -4.659 1.00 0.00 O ATOM 622 CB SER A 41 -4.856 3.110 -2.582 1.00 0.00 C ATOM 623 OG SER A 41 -5.333 1.859 -3.054 1.00 0.00 O ATOM 0 HA SER A 41 -5.630 5.076 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.889 3.329 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.699 3.060 -1.505 1.00 0.00 H new ATOM 0 HG SER A 41 -6.085 1.565 -2.498 1.00 0.00 H new ATOM 629 N ARG A 42 -5.402 3.732 -5.230 1.00 0.00 N ATOM 630 CA ARG A 42 -5.267 3.967 -6.668 1.00 0.00 C ATOM 631 C ARG A 42 -5.314 2.636 -7.400 1.00 0.00 C ATOM 632 O ARG A 42 -6.166 2.406 -8.255 1.00 0.00 O ATOM 633 CB ARG A 42 -3.944 4.669 -7.020 1.00 0.00 C ATOM 634 CG ARG A 42 -3.961 6.181 -6.857 1.00 0.00 C ATOM 635 CD ARG A 42 -2.659 6.803 -7.330 1.00 0.00 C ATOM 636 NE ARG A 42 -2.624 8.247 -7.106 1.00 0.00 N ATOM 637 CZ ARG A 42 -1.673 9.051 -7.583 1.00 0.00 C ATOM 638 NH1 ARG A 42 -0.682 8.549 -8.312 1.00 0.00 N ATOM 639 NH2 ARG A 42 -1.712 10.351 -7.325 1.00 0.00 N ATOM 0 H ARG A 42 -5.258 2.758 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.089 4.615 -6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.153 4.259 -6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.687 4.432 -8.052 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.793 6.600 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.128 6.434 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.824 6.336 -6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.525 6.598 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.372 8.665 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.648 7.548 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.045 9.164 -8.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.470 10.737 -6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.984 10.965 -7.690 1.00 0.00 H new ATOM 653 N TYR A 43 -4.393 1.759 -7.021 1.00 0.00 N ATOM 654 CA TYR A 43 -4.221 0.472 -7.679 1.00 0.00 C ATOM 655 C TYR A 43 -5.318 -0.504 -7.262 1.00 0.00 C ATOM 656 O TYR A 43 -5.669 -1.414 -8.009 1.00 0.00 O ATOM 657 CB TYR A 43 -2.844 -0.105 -7.329 1.00 0.00 C ATOM 658 CG TYR A 43 -1.722 0.918 -7.375 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.138 1.297 -8.580 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.248 1.505 -6.206 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.120 2.234 -8.616 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.230 2.440 -6.236 1.00 0.00 C ATOM 663 CZ TYR A 43 0.331 2.802 -7.443 1.00 0.00 C ATOM 664 OH TYR A 43 1.344 3.738 -7.476 1.00 0.00 O ATOM 0 H TYR A 43 -3.745 1.920 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.290 0.621 -8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.886 -0.540 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.613 -0.915 -8.021 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.485 0.853 -9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.683 1.225 -5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.320 2.520 -9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.125 2.885 -5.318 1.00 0.00 H new ATOM 0 HH TYR A 43 2.075 3.450 -6.890 1.00 0.00 H new ATOM 674 N LEU A 44 -5.857 -0.306 -6.063 1.00 0.00 N ATOM 675 CA LEU A 44 -6.922 -1.161 -5.548 1.00 0.00 C ATOM 676 C LEU A 44 -8.217 -0.367 -5.376 1.00 0.00 C ATOM 677 O LEU A 44 -8.474 0.189 -4.309 1.00 0.00 O ATOM 678 CB LEU A 44 -6.529 -1.803 -4.207 1.00 0.00 C ATOM 679 CG LEU A 44 -5.470 -2.914 -4.268 1.00 0.00 C ATOM 680 CD1 LEU A 44 -4.084 -2.344 -4.531 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.475 -3.719 -2.978 1.00 0.00 C ATOM 0 H LEU A 44 -5.573 0.440 -5.428 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.081 -1.955 -6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.163 -1.017 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.428 -2.213 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.723 -3.574 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.358 -3.156 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.084 -1.813 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.816 -1.654 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.720 -4.503 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.252 -3.061 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.457 -4.171 -2.835 1.00 0.00 H new ATOM 693 N PRO A 45 -9.031 -0.266 -6.436 1.00 0.00 N ATOM 694 CA PRO A 45 -10.291 0.477 -6.403 1.00 0.00 C ATOM 695 C PRO A 45 -11.398 -0.276 -5.663 1.00 0.00 C ATOM 696 O PRO A 45 -11.564 -1.486 -5.835 1.00 0.00 O ATOM 697 CB PRO A 45 -10.662 0.643 -7.888 1.00 0.00 C ATOM 698 CG PRO A 45 -9.502 0.104 -8.665 1.00 0.00 C ATOM 699 CD PRO A 45 -8.798 -0.855 -7.754 1.00 0.00 C ATOM 0 HA PRO A 45 -10.181 1.422 -5.870 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.577 0.100 -8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.842 1.690 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.840 -0.397 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.834 0.908 -8.975 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.210 -1.862 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.735 -0.928 -7.984 1.00 0.00 H new ATOM 707 N TYR A 46 -12.138 0.459 -4.834 1.00 0.00 N ATOM 708 CA TYR A 46 -13.296 -0.072 -4.111 1.00 0.00 C ATOM 709 C TYR A 46 -12.894 -1.181 -3.146 1.00 0.00 C ATOM 710 O TYR A 46 -13.249 -2.351 -3.324 1.00 0.00 O ATOM 711 CB TYR A 46 -14.380 -0.564 -5.079 1.00 0.00 C ATOM 712 CG TYR A 46 -15.011 0.545 -5.889 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.486 0.920 -7.117 1.00 0.00 C ATOM 714 CD2 TYR A 46 -16.131 1.220 -5.419 1.00 0.00 C ATOM 715 CE1 TYR A 46 -15.055 1.937 -7.854 1.00 0.00 C ATOM 716 CE2 TYR A 46 -16.708 2.239 -6.153 1.00 0.00 C ATOM 717 CZ TYR A 46 -16.166 2.594 -7.369 1.00 0.00 C ATOM 718 OH TYR A 46 -16.736 3.608 -8.107 1.00 0.00 O ATOM 0 H TYR A 46 -11.952 1.444 -4.643 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.711 0.747 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.944 -1.297 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.157 -1.077 -4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -13.617 0.407 -7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -16.557 0.944 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.632 2.218 -8.807 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -17.579 2.754 -5.776 1.00 0.00 H new ATOM 0 HH TYR A 46 -17.511 3.967 -7.626 1.00 0.00 H new ATOM 728 N THR A 47 -12.138 -0.799 -2.130 1.00 0.00 N ATOM 729 CA THR A 47 -11.709 -1.717 -1.091 1.00 0.00 C ATOM 730 C THR A 47 -11.911 -1.079 0.282 1.00 0.00 C ATOM 731 O THR A 47 -11.928 0.148 0.401 1.00 0.00 O ATOM 732 CB THR A 47 -10.234 -2.105 -1.289 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.562 -1.073 -2.022 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.116 -3.425 -2.034 1.00 0.00 C ATOM 0 H THR A 47 -11.805 0.157 -2.003 1.00 0.00 H new ATOM 0 HA THR A 47 -12.312 -2.623 -1.153 1.00 0.00 H new ATOM 0 HB THR A 47 -9.771 -2.222 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.807 -0.737 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.063 -3.678 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.611 -4.210 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.589 -3.334 -3.012 1.00 0.00 H new ATOM 742 N GLN A 48 -12.079 -1.900 1.313 1.00 0.00 N ATOM 743 CA GLN A 48 -12.382 -1.389 2.646 1.00 0.00 C ATOM 744 C GLN A 48 -11.117 -1.265 3.485 1.00 0.00 C ATOM 745 O GLN A 48 -10.628 -2.249 4.040 1.00 0.00 O ATOM 746 CB GLN A 48 -13.382 -2.301 3.361 1.00 0.00 C ATOM 747 CG GLN A 48 -14.626 -2.609 2.545 1.00 0.00 C ATOM 748 CD GLN A 48 -15.653 -3.409 3.324 1.00 0.00 C ATOM 749 OE1 GLN A 48 -15.309 -4.148 4.248 1.00 0.00 O ATOM 750 NE2 GLN A 48 -16.915 -3.282 2.945 1.00 0.00 N ATOM 0 H GLN A 48 -12.011 -2.916 1.253 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.823 -0.399 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.886 -3.237 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.681 -1.832 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.077 -1.675 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.341 -3.164 1.651 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -17.156 -2.659 2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.647 -3.808 3.424 1.00 0.00 H new ATOM 759 N TYR A 49 -10.581 -0.056 3.548 1.00 0.00 N ATOM 760 CA TYR A 49 -9.431 0.237 4.391 1.00 0.00 C ATOM 761 C TYR A 49 -9.427 1.704 4.797 1.00 0.00 C ATOM 762 O TYR A 49 -10.241 2.490 4.301 1.00 0.00 O ATOM 763 CB TYR A 49 -8.112 -0.139 3.701 1.00 0.00 C ATOM 764 CG TYR A 49 -8.018 0.217 2.228 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.463 1.441 1.736 1.00 0.00 C ATOM 766 CD2 TYR A 49 -7.454 -0.680 1.328 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.352 1.756 0.395 1.00 0.00 C ATOM 768 CE2 TYR A 49 -7.341 -0.372 -0.013 1.00 0.00 C ATOM 769 CZ TYR A 49 -7.790 0.846 -0.473 1.00 0.00 C ATOM 770 OH TYR A 49 -7.685 1.151 -1.812 1.00 0.00 O ATOM 0 H TYR A 49 -10.928 0.745 3.020 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.516 -0.374 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.294 0.352 4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.960 -1.213 3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.903 2.157 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.098 -1.635 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.704 2.710 0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.903 -1.083 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.740 2.122 -1.932 1.00 0.00 H new ATOM 780 N ASP A 50 -8.522 2.069 5.698 1.00 0.00 N ATOM 781 CA ASP A 50 -8.452 3.443 6.190 1.00 0.00 C ATOM 782 C ASP A 50 -7.124 3.731 6.887 1.00 0.00 C ATOM 783 O ASP A 50 -6.585 4.835 6.787 1.00 0.00 O ATOM 784 CB ASP A 50 -9.603 3.702 7.161 1.00 0.00 C ATOM 785 CG ASP A 50 -9.703 5.153 7.587 1.00 0.00 C ATOM 786 OD1 ASP A 50 -10.129 5.989 6.764 1.00 0.00 O ATOM 787 OD2 ASP A 50 -9.382 5.462 8.756 1.00 0.00 O ATOM 0 H ASP A 50 -7.830 1.438 6.102 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.530 4.107 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.540 3.401 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.473 3.078 8.045 1.00 0.00 H new ATOM 792 N SER A 51 -6.592 2.736 7.582 1.00 0.00 N ATOM 793 CA SER A 51 -5.383 2.927 8.378 1.00 0.00 C ATOM 794 C SER A 51 -4.138 2.694 7.524 1.00 0.00 C ATOM 795 O SER A 51 -4.196 1.972 6.537 1.00 0.00 O ATOM 796 CB SER A 51 -5.403 1.989 9.582 1.00 0.00 C ATOM 797 OG SER A 51 -6.625 2.107 10.293 1.00 0.00 O ATOM 0 H SER A 51 -6.975 1.791 7.613 1.00 0.00 H new ATOM 0 HA SER A 51 -5.353 3.955 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.269 0.960 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.568 2.221 10.243 1.00 0.00 H new ATOM 0 HG SER A 51 -6.618 1.496 11.059 1.00 0.00 H new ATOM 803 N LEU A 52 -3.015 3.293 7.917 1.00 0.00 N ATOM 804 CA LEU A 52 -1.805 3.291 7.092 1.00 0.00 C ATOM 805 C LEU A 52 -1.247 1.874 6.923 1.00 0.00 C ATOM 806 O LEU A 52 -0.988 1.432 5.801 1.00 0.00 O ATOM 807 CB LEU A 52 -0.751 4.219 7.716 1.00 0.00 C ATOM 808 CG LEU A 52 0.280 4.824 6.747 1.00 0.00 C ATOM 809 CD1 LEU A 52 1.242 3.768 6.227 1.00 0.00 C ATOM 810 CD2 LEU A 52 -0.424 5.518 5.590 1.00 0.00 C ATOM 0 H LEU A 52 -2.917 3.787 8.804 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.064 3.660 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.268 5.036 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.214 3.661 8.483 1.00 0.00 H new ATOM 0 HG LEU A 52 0.863 5.561 7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.956 4.230 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.777 3.320 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.683 2.996 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.319 5.941 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.037 4.795 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.059 6.315 5.976 1.00 0.00 H new ATOM 822 N LEU A 53 -1.070 1.160 8.030 1.00 0.00 N ATOM 823 CA LEU A 53 -0.556 -0.195 7.992 1.00 0.00 C ATOM 824 C LEU A 53 -1.574 -1.111 7.325 1.00 0.00 C ATOM 825 O LEU A 53 -1.222 -2.009 6.556 1.00 0.00 O ATOM 826 CB LEU A 53 -0.253 -0.682 9.412 1.00 0.00 C ATOM 827 CG LEU A 53 0.999 -0.102 10.077 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.212 -0.268 9.176 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.798 1.361 10.448 1.00 0.00 C ATOM 0 H LEU A 53 -1.278 1.504 8.967 1.00 0.00 H new ATOM 0 HA LEU A 53 0.368 -0.212 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.112 -0.453 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.156 -1.767 9.388 1.00 0.00 H new ATOM 0 HG LEU A 53 1.177 -0.658 10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.090 0.151 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.377 -1.327 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.040 0.254 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.703 1.745 10.918 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.583 1.938 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.037 1.449 11.143 1.00 0.00 H new ATOM 841 N ASP A 54 -2.835 -0.848 7.627 1.00 0.00 N ATOM 842 CA ASP A 54 -3.964 -1.544 7.016 1.00 0.00 C ATOM 843 C ASP A 54 -3.949 -1.371 5.491 1.00 0.00 C ATOM 844 O ASP A 54 -4.170 -2.327 4.750 1.00 0.00 O ATOM 845 CB ASP A 54 -5.256 -0.996 7.640 1.00 0.00 C ATOM 846 CG ASP A 54 -6.534 -1.352 6.901 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.730 -2.529 6.542 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.375 -0.438 6.724 1.00 0.00 O ATOM 0 H ASP A 54 -3.110 -0.140 8.308 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.898 -2.615 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.332 -1.366 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.180 0.090 7.699 1.00 0.00 H new ATOM 853 N LEU A 55 -3.641 -0.158 5.036 1.00 0.00 N ATOM 854 CA LEU A 55 -3.530 0.142 3.613 1.00 0.00 C ATOM 855 C LEU A 55 -2.431 -0.690 2.956 1.00 0.00 C ATOM 856 O LEU A 55 -2.668 -1.378 1.963 1.00 0.00 O ATOM 857 CB LEU A 55 -3.205 1.627 3.428 1.00 0.00 C ATOM 858 CG LEU A 55 -4.352 2.606 3.675 1.00 0.00 C ATOM 859 CD1 LEU A 55 -3.827 4.032 3.735 1.00 0.00 C ATOM 860 CD2 LEU A 55 -5.394 2.476 2.581 1.00 0.00 C ATOM 0 H LEU A 55 -3.462 0.642 5.643 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.482 -0.102 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.385 1.884 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.843 1.774 2.411 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.816 2.366 4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.656 4.718 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.104 4.120 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.344 4.282 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.207 3.178 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.938 2.697 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.788 1.460 2.572 1.00 0.00 H new ATOM 872 N ALA A 56 -1.237 -0.638 3.536 1.00 0.00 N ATOM 873 CA ALA A 56 -0.069 -1.294 2.960 1.00 0.00 C ATOM 874 C ALA A 56 -0.248 -2.806 2.888 1.00 0.00 C ATOM 875 O ALA A 56 0.045 -3.431 1.862 1.00 0.00 O ATOM 876 CB ALA A 56 1.169 -0.942 3.768 1.00 0.00 C ATOM 0 H ALA A 56 -1.052 -0.145 4.410 1.00 0.00 H new ATOM 0 HA ALA A 56 0.052 -0.933 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.039 -1.434 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.318 0.138 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.039 -1.276 4.797 1.00 0.00 H new ATOM 882 N ARG A 57 -0.743 -3.388 3.971 1.00 0.00 N ATOM 883 CA ARG A 57 -0.904 -4.833 4.054 1.00 0.00 C ATOM 884 C ARG A 57 -2.011 -5.320 3.124 1.00 0.00 C ATOM 885 O ARG A 57 -1.887 -6.379 2.508 1.00 0.00 O ATOM 886 CB ARG A 57 -1.189 -5.248 5.499 1.00 0.00 C ATOM 887 CG ARG A 57 -0.004 -5.021 6.425 1.00 0.00 C ATOM 888 CD ARG A 57 -0.373 -5.241 7.880 1.00 0.00 C ATOM 889 NE ARG A 57 0.792 -5.133 8.760 1.00 0.00 N ATOM 890 CZ ARG A 57 0.728 -5.174 10.086 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.433 -5.390 10.691 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.832 -5.012 10.805 1.00 0.00 N ATOM 0 H ARG A 57 -1.040 -2.882 4.805 1.00 0.00 H new ATOM 0 HA ARG A 57 0.027 -5.300 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.046 -4.687 5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.464 -6.302 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.806 -5.696 6.150 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.369 -4.005 6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.123 -4.509 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.825 -6.226 7.995 1.00 0.00 H new ATOM 0 HE ARG A 57 1.709 -5.019 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.279 -5.525 10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.479 -5.421 11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.726 -4.857 10.339 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.786 -5.043 11.824 1.00 0.00 H new ATOM 906 N ALA A 58 -3.079 -4.537 3.007 1.00 0.00 N ATOM 907 CA ALA A 58 -4.187 -4.885 2.122 1.00 0.00 C ATOM 908 C ALA A 58 -3.724 -4.923 0.671 1.00 0.00 C ATOM 909 O ALA A 58 -4.157 -5.773 -0.107 1.00 0.00 O ATOM 910 CB ALA A 58 -5.340 -3.901 2.284 1.00 0.00 C ATOM 0 H ALA A 58 -3.201 -3.659 3.512 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.541 -5.878 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.154 -4.181 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.694 -3.922 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.998 -2.896 2.039 1.00 0.00 H new ATOM 916 N ILE A 59 -2.823 -4.010 0.322 1.00 0.00 N ATOM 917 CA ILE A 59 -2.284 -3.948 -1.031 1.00 0.00 C ATOM 918 C ILE A 59 -1.518 -5.222 -1.374 1.00 0.00 C ATOM 919 O ILE A 59 -1.772 -5.839 -2.406 1.00 0.00 O ATOM 920 CB ILE A 59 -1.368 -2.719 -1.224 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.175 -1.430 -1.051 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.703 -2.753 -2.594 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.332 -0.180 -1.101 1.00 0.00 C ATOM 0 H ILE A 59 -2.451 -3.304 0.957 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.133 -3.852 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.585 -2.747 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.934 -1.378 -1.832 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.701 -1.466 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.062 -1.879 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.102 -3.658 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.468 -2.747 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.970 0.694 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.590 -0.209 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.826 -0.121 -2.065 1.00 0.00 H new ATOM 935 N ILE A 60 -0.609 -5.639 -0.498 1.00 0.00 N ATOM 936 CA ILE A 60 0.180 -6.843 -0.743 1.00 0.00 C ATOM 937 C ILE A 60 -0.713 -8.080 -0.737 1.00 0.00 C ATOM 938 O ILE A 60 -0.554 -8.986 -1.557 1.00 0.00 O ATOM 939 CB ILE A 60 1.310 -7.020 0.297 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.258 -5.825 0.255 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.073 -8.309 0.031 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.375 -5.902 1.271 1.00 0.00 C ATOM 0 H ILE A 60 -0.401 -5.166 0.381 1.00 0.00 H new ATOM 0 HA ILE A 60 0.639 -6.726 -1.725 1.00 0.00 H new ATOM 0 HB ILE A 60 0.865 -7.077 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.690 -5.750 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.686 -4.912 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.866 -8.422 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.391 -9.156 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.510 -8.274 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.009 -5.019 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.952 -5.946 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.971 -6.796 1.089 1.00 0.00 H new ATOM 954 N ARG A 61 -1.665 -8.096 0.185 1.00 0.00 N ATOM 955 CA ARG A 61 -2.590 -9.213 0.334 1.00 0.00 C ATOM 956 C ARG A 61 -3.384 -9.459 -0.951 1.00 0.00 C ATOM 957 O ARG A 61 -3.669 -10.602 -1.306 1.00 0.00 O ATOM 958 CB ARG A 61 -3.556 -8.923 1.482 1.00 0.00 C ATOM 959 CG ARG A 61 -4.535 -10.046 1.771 1.00 0.00 C ATOM 960 CD ARG A 61 -5.685 -9.558 2.631 1.00 0.00 C ATOM 961 NE ARG A 61 -6.460 -8.522 1.948 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.386 -7.764 2.526 1.00 0.00 C ATOM 963 NH1 ARG A 61 -7.670 -7.901 3.818 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.034 -6.862 1.800 1.00 0.00 N ATOM 0 H ARG A 61 -1.819 -7.338 0.850 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.008 -10.109 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.979 -8.718 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.117 -8.018 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.922 -10.446 0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.019 -10.862 2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.336 -10.396 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.297 -9.164 3.571 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.276 -8.370 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.175 -8.595 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.383 -7.312 4.249 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.820 -6.756 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.747 -6.275 2.233 1.00 0.00 H new ATOM 978 N ASP A 62 -3.733 -8.384 -1.644 1.00 0.00 N ATOM 979 CA ASP A 62 -4.605 -8.481 -2.809 1.00 0.00 C ATOM 980 C ASP A 62 -3.845 -8.371 -4.128 1.00 0.00 C ATOM 981 O ASP A 62 -4.461 -8.275 -5.189 1.00 0.00 O ATOM 982 CB ASP A 62 -5.696 -7.408 -2.750 1.00 0.00 C ATOM 983 CG ASP A 62 -6.858 -7.804 -1.861 1.00 0.00 C ATOM 984 OD1 ASP A 62 -6.696 -7.834 -0.625 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.949 -8.086 -2.399 1.00 0.00 O ATOM 0 H ASP A 62 -3.427 -7.437 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.058 -9.472 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.264 -6.477 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.064 -7.214 -3.757 1.00 0.00 H new ATOM 990 N THR A 63 -2.522 -8.400 -4.077 1.00 0.00 N ATOM 991 CA THR A 63 -1.730 -8.330 -5.299 1.00 0.00 C ATOM 992 C THR A 63 -0.760 -9.501 -5.397 1.00 0.00 C ATOM 993 O THR A 63 -0.421 -10.129 -4.391 1.00 0.00 O ATOM 994 CB THR A 63 -0.933 -7.013 -5.401 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.148 -6.825 -4.220 1.00 0.00 O ATOM 996 CG2 THR A 63 -1.862 -5.823 -5.601 1.00 0.00 C ATOM 0 H THR A 63 -1.979 -8.470 -3.217 1.00 0.00 H new ATOM 0 HA THR A 63 -2.441 -8.373 -6.124 1.00 0.00 H new ATOM 0 HB THR A 63 -0.275 -7.080 -6.267 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.602 -6.194 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.273 -4.909 -5.669 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.432 -5.957 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.547 -5.750 -4.757 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.331 -9.800 -6.613 1.00 0.00 N ATOM 1005 CA VAL A 64 0.656 -10.839 -6.840 1.00 0.00 C ATOM 1006 C VAL A 64 2.001 -10.224 -7.215 1.00 0.00 C ATOM 1007 O VAL A 64 3.043 -10.874 -7.117 1.00 0.00 O ATOM 1008 CB VAL A 64 0.207 -11.812 -7.950 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -1.031 -12.581 -7.522 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.048 -11.071 -9.257 1.00 0.00 C ATOM 0 H VAL A 64 -0.654 -9.334 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 64 0.759 -11.400 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 64 1.014 -12.525 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.331 -13.261 -8.319 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.811 -13.153 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.842 -11.881 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.363 -11.781 -10.022 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.831 -10.328 -9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.867 -10.574 -9.578 1.00 0.00 H new ATOM 1020 N GLU A 65 1.972 -8.957 -7.622 1.00 0.00 N ATOM 1021 CA GLU A 65 3.174 -8.255 -8.064 1.00 0.00 C ATOM 1022 C GLU A 65 4.092 -7.921 -6.895 1.00 0.00 C ATOM 1023 O GLU A 65 5.302 -7.767 -7.067 1.00 0.00 O ATOM 1024 CB GLU A 65 2.794 -6.973 -8.801 1.00 0.00 C ATOM 1025 CG GLU A 65 2.124 -7.223 -10.137 1.00 0.00 C ATOM 1026 CD GLU A 65 1.617 -5.951 -10.779 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.441 -5.079 -11.116 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.388 -5.820 -10.951 1.00 0.00 O ATOM 0 H GLU A 65 1.123 -8.393 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 65 3.713 -8.920 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.125 -6.386 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.691 -6.374 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.832 -7.708 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.292 -7.913 -9.999 1.00 0.00 H new ATOM 1035 N PHE A 66 3.519 -7.819 -5.706 1.00 0.00 N ATOM 1036 CA PHE A 66 4.295 -7.485 -4.520 1.00 0.00 C ATOM 1037 C PHE A 66 4.628 -8.733 -3.712 1.00 0.00 C ATOM 1038 O PHE A 66 5.039 -8.645 -2.558 1.00 0.00 O ATOM 1039 CB PHE A 66 3.547 -6.465 -3.660 1.00 0.00 C ATOM 1040 CG PHE A 66 3.379 -5.136 -4.337 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.473 -4.314 -4.552 1.00 0.00 C ATOM 1042 CD2 PHE A 66 2.132 -4.709 -4.763 1.00 0.00 C ATOM 1043 CE1 PHE A 66 4.327 -3.091 -5.178 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.978 -3.488 -5.390 1.00 0.00 C ATOM 1045 CZ PHE A 66 3.078 -2.677 -5.598 1.00 0.00 C ATOM 0 H PHE A 66 2.523 -7.962 -5.536 1.00 0.00 H new ATOM 0 HA PHE A 66 5.235 -7.039 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.565 -6.863 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.086 -6.323 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.452 -4.633 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.269 -5.339 -4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.188 -2.460 -5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.000 -3.167 -5.717 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.961 -1.722 -6.088 1.00 0.00 H new ATOM 1055 N SER A 67 4.459 -9.894 -4.325 1.00 0.00 N ATOM 1056 CA SER A 67 4.854 -11.139 -3.695 1.00 0.00 C ATOM 1057 C SER A 67 6.323 -11.409 -4.021 1.00 0.00 C ATOM 1058 O SER A 67 6.876 -10.815 -4.953 1.00 0.00 O ATOM 1059 CB SER A 67 3.960 -12.289 -4.169 1.00 0.00 C ATOM 1060 OG SER A 67 4.054 -13.411 -3.303 1.00 0.00 O ATOM 0 H SER A 67 4.052 -9.998 -5.255 1.00 0.00 H new ATOM 0 HA SER A 67 4.736 -11.061 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.925 -11.951 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.247 -12.582 -5.179 1.00 0.00 H new ATOM 0 HG SER A 67 3.471 -14.127 -3.631 1.00 0.00 H new