USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 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 56 ASN : amide:sc= 0.974 K(o=1.8,f=-4.4!) USER MOD Set 1.2: A 58 SER OG : rot 164:sc= 0.784 USER MOD Set 2.1: A 41 MET CE :methyl -114:sc= -0.239 (180deg=-0.535) USER MOD Set 2.2: A 49 MET CE :methyl -178:sc= -1.17 (180deg=-1.26) USER MOD Single : A 13 ASN : amide:sc= 0.295 K(o=0.3,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc= -0.768 K(o=-0.77,f=-3!) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.0159 (180deg=-0.625) USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00844 USER MOD Single : A 19 TYR OH : rot 32:sc= 1.41 USER MOD Single : A 26 SER OG : rot -160:sc= -1.22! USER MOD Single : A 28 ASN : amide:sc= 0.0697 X(o=0.07,f=-0.21) USER MOD Single : A 31 ASN : amide:sc= -0.278 K(o=-0.28,f=-3!) USER MOD Single : A 33 MET CE :methyl 157:sc= -0.117 (180deg=-0.731) USER MOD Single : A 39 ASN : amide:sc= -0.465 K(o=-0.46,f=-1.7!) USER MOD Single : A 44 SER OG : rot -73:sc= 0.155 USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= 1.2 (180deg=0.325) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 1.21 (180deg=-0.0701) USER MOD Single : A 55 MET CE :methyl -159:sc= -0.771 (180deg=-1.62) USER MOD Single : A 62 THR OG1 : rot -95:sc= 0.752 USER MOD Single : A 65 THR OG1 : rot 32:sc= 0.456 USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= 0.919 (180deg=-1.18!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -140:sc= 0 USER MOD Single : A 85 SER OG : rot -92:sc= 1.33 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= 1.14 (180deg=0.837) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 11 18.715 3.584 -4.103 1.00 3.94 N ATOM 2 CA GLU A 11 17.801 2.492 -4.413 1.00 3.58 C ATOM 3 C GLU A 11 16.648 2.490 -3.417 1.00 2.90 C ATOM 4 O GLU A 11 15.560 2.981 -3.724 1.00 3.21 O ATOM 5 CB GLU A 11 18.530 1.147 -4.398 1.00 4.35 C ATOM 6 CG GLU A 11 17.619 -0.045 -4.673 1.00 5.21 C ATOM 7 CD GLU A 11 18.157 -0.947 -5.763 1.00 5.91 C ATOM 8 OE1 GLU A 11 18.911 -0.455 -6.632 1.00 6.57 O ATOM 9 OE2 GLU A 11 17.835 -2.152 -5.757 1.00 6.06 O ATOM 0 HA GLU A 11 17.404 2.642 -5.417 1.00 3.58 H new ATOM 0 HB2 GLU A 11 19.325 1.166 -5.144 1.00 4.35 H new ATOM 0 HB3 GLU A 11 19.007 1.013 -3.427 1.00 4.35 H new ATOM 0 HG2 GLU A 11 17.495 -0.622 -3.757 1.00 5.21 H new ATOM 0 HG3 GLU A 11 16.631 0.315 -4.959 1.00 5.21 H new ATOM 16 N LEU A 12 16.921 1.968 -2.215 1.00 2.57 N ATOM 17 CA LEU A 12 15.952 1.906 -1.130 1.00 2.59 C ATOM 18 C LEU A 12 14.549 1.533 -1.623 1.00 1.93 C ATOM 19 O LEU A 12 13.579 2.257 -1.382 1.00 2.11 O ATOM 20 CB LEU A 12 15.920 3.239 -0.388 1.00 3.54 C ATOM 21 CG LEU A 12 17.179 4.082 -0.532 1.00 4.47 C ATOM 22 CD1 LEU A 12 16.838 5.562 -0.475 1.00 5.39 C ATOM 23 CD2 LEU A 12 18.176 3.721 0.552 1.00 5.10 C ATOM 0 H LEU A 12 17.831 1.575 -1.973 1.00 2.57 H new ATOM 0 HA LEU A 12 16.269 1.116 -0.449 1.00 2.59 H new ATOM 0 HB2 LEU A 12 15.069 3.818 -0.747 1.00 3.54 H new ATOM 0 HB3 LEU A 12 15.749 3.045 0.671 1.00 3.54 H new ATOM 0 HG LEU A 12 17.630 3.874 -1.502 1.00 4.47 H new ATOM 0 HD11 LEU A 12 17.750 6.150 -0.580 1.00 5.39 H new ATOM 0 HD12 LEU A 12 16.152 5.809 -1.286 1.00 5.39 H new ATOM 0 HD13 LEU A 12 16.367 5.790 0.481 1.00 5.39 H new ATOM 0 HD21 LEU A 12 19.073 4.330 0.439 1.00 5.10 H new ATOM 0 HD22 LEU A 12 17.733 3.906 1.530 1.00 5.10 H new ATOM 0 HD23 LEU A 12 18.440 2.667 0.467 1.00 5.10 H new ATOM 35 N ASN A 13 14.455 0.406 -2.318 1.00 1.62 N ATOM 36 CA ASN A 13 13.187 -0.074 -2.867 1.00 1.41 C ATOM 37 C ASN A 13 12.362 -0.822 -1.815 1.00 1.08 C ATOM 38 O ASN A 13 11.936 -1.956 -2.030 1.00 1.16 O ATOM 39 CB ASN A 13 13.456 -0.963 -4.093 1.00 2.03 C ATOM 40 CG ASN A 13 14.312 -2.184 -3.793 1.00 2.40 C ATOM 41 OD1 ASN A 13 15.228 -2.146 -2.965 1.00 2.71 O ATOM 42 ND2 ASN A 13 14.022 -3.272 -4.481 1.00 3.15 N ATOM 0 H ASN A 13 15.250 -0.201 -2.518 1.00 1.62 H new ATOM 0 HA ASN A 13 12.598 0.789 -3.177 1.00 1.41 H new ATOM 0 HB2 ASN A 13 12.503 -1.292 -4.507 1.00 2.03 H new ATOM 0 HB3 ASN A 13 13.948 -0.366 -4.861 1.00 2.03 H new ATOM 0 HD21 ASN A 13 14.563 -4.125 -4.338 1.00 3.15 H new ATOM 0 HD22 ASN A 13 13.257 -3.260 -5.155 1.00 3.15 H new ATOM 49 N ASN A 14 12.117 -0.166 -0.683 1.00 0.88 N ATOM 50 CA ASN A 14 11.327 -0.766 0.384 1.00 0.81 C ATOM 51 C ASN A 14 9.844 -0.690 0.026 1.00 0.64 C ATOM 52 O ASN A 14 9.005 -1.350 0.637 1.00 0.66 O ATOM 53 CB ASN A 14 11.632 -0.093 1.734 1.00 0.96 C ATOM 54 CG ASN A 14 10.442 0.630 2.342 1.00 1.62 C ATOM 55 OD1 ASN A 14 10.190 1.795 2.051 1.00 2.24 O ATOM 56 ND2 ASN A 14 9.734 -0.052 3.229 1.00 2.24 N ATOM 0 H ASN A 14 12.453 0.776 -0.483 1.00 0.88 H new ATOM 0 HA ASN A 14 11.596 -1.817 0.489 1.00 0.81 H new ATOM 0 HB2 ASN A 14 11.982 -0.850 2.436 1.00 0.96 H new ATOM 0 HB3 ASN A 14 12.447 0.618 1.599 1.00 0.96 H new ATOM 0 HD21 ASN A 14 8.944 0.390 3.700 1.00 2.24 H new ATOM 0 HD22 ASN A 14 9.978 -1.019 3.441 1.00 2.24 H new ATOM 63 N LEU A 15 9.548 0.099 -1.007 1.00 0.56 N ATOM 64 CA LEU A 15 8.188 0.270 -1.512 1.00 0.48 C ATOM 65 C LEU A 15 7.567 -1.079 -1.884 1.00 0.37 C ATOM 66 O LEU A 15 6.352 -1.262 -1.787 1.00 0.33 O ATOM 67 CB LEU A 15 8.199 1.194 -2.729 1.00 0.58 C ATOM 68 CG LEU A 15 7.043 2.185 -2.790 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.557 3.590 -3.049 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.047 1.780 -3.860 1.00 0.60 C ATOM 0 H LEU A 15 10.247 0.638 -1.518 1.00 0.56 H new ATOM 0 HA LEU A 15 7.583 0.717 -0.724 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.136 1.750 -2.737 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.183 0.583 -3.632 1.00 0.58 H new ATOM 0 HG LEU A 15 6.535 2.176 -1.826 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.717 4.283 -3.089 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.232 3.884 -2.245 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.092 3.613 -3.999 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.229 2.500 -3.887 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.544 1.758 -4.830 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.651 0.790 -3.633 1.00 0.60 H new ATOM 82 N ARG A 16 8.408 -2.030 -2.291 1.00 0.36 N ATOM 83 CA ARG A 16 7.929 -3.357 -2.647 1.00 0.33 C ATOM 84 C ARG A 16 7.311 -4.020 -1.427 1.00 0.27 C ATOM 85 O ARG A 16 6.280 -4.677 -1.523 1.00 0.28 O ATOM 86 CB ARG A 16 9.058 -4.228 -3.195 1.00 0.40 C ATOM 87 CG ARG A 16 8.560 -5.531 -3.789 1.00 0.65 C ATOM 88 CD ARG A 16 9.645 -6.228 -4.592 1.00 1.29 C ATOM 89 NE ARG A 16 10.273 -7.325 -3.843 1.00 2.05 N ATOM 90 CZ ARG A 16 9.798 -8.573 -3.804 1.00 2.78 C ATOM 91 NH1 ARG A 16 8.704 -8.883 -4.491 1.00 3.11 N ATOM 92 NH2 ARG A 16 10.424 -9.512 -3.094 1.00 3.67 N ATOM 0 H ARG A 16 9.416 -1.904 -2.381 1.00 0.36 H new ATOM 0 HA ARG A 16 7.177 -3.250 -3.429 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.603 -3.671 -3.957 1.00 0.40 H new ATOM 0 HB3 ARG A 16 9.764 -4.446 -2.394 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.218 -6.189 -2.990 1.00 0.65 H new ATOM 0 HG3 ARG A 16 7.701 -5.335 -4.430 1.00 0.65 H new ATOM 0 HD2 ARG A 16 9.217 -6.619 -5.515 1.00 1.29 H new ATOM 0 HD3 ARG A 16 10.407 -5.502 -4.877 1.00 1.29 H new ATOM 0 HE ARG A 16 11.125 -7.121 -3.320 1.00 2.05 H new ATOM 0 HH11 ARG A 16 8.231 -8.169 -5.045 1.00 3.11 H new ATOM 0 HH12 ARG A 16 8.338 -9.835 -4.464 1.00 3.11 H new ATOM 0 HH21 ARG A 16 11.271 -9.280 -2.576 1.00 3.67 H new ATOM 0 HH22 ARG A 16 10.056 -10.463 -3.069 1.00 3.67 H new ATOM 106 N MET A 17 7.933 -3.805 -0.273 1.00 0.28 N ATOM 107 CA MET A 17 7.441 -4.347 0.986 1.00 0.32 C ATOM 108 C MET A 17 6.081 -3.739 1.315 1.00 0.25 C ATOM 109 O MET A 17 5.196 -4.407 1.844 1.00 0.27 O ATOM 110 CB MET A 17 8.430 -4.059 2.117 1.00 0.45 C ATOM 111 CG MET A 17 8.757 -5.269 2.979 1.00 0.81 C ATOM 112 SD MET A 17 7.734 -5.354 4.464 1.00 1.96 S ATOM 113 CE MET A 17 6.780 -6.833 4.142 1.00 2.93 C ATOM 0 H MET A 17 8.787 -3.254 -0.185 1.00 0.28 H new ATOM 0 HA MET A 17 7.336 -5.427 0.884 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.354 -3.672 1.687 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.020 -3.274 2.752 1.00 0.45 H new ATOM 0 HG2 MET A 17 8.618 -6.177 2.393 1.00 0.81 H new ATOM 0 HG3 MET A 17 9.808 -5.233 3.267 1.00 0.81 H new ATOM 0 HE1 MET A 17 6.332 -7.187 5.071 1.00 2.93 H new ATOM 0 HE2 MET A 17 5.993 -6.609 3.422 1.00 2.93 H new ATOM 0 HE3 MET A 17 7.433 -7.606 3.737 1.00 2.93 H new ATOM 123 N THR A 18 5.923 -2.470 0.962 1.00 0.21 N ATOM 124 CA THR A 18 4.679 -1.754 1.180 1.00 0.20 C ATOM 125 C THR A 18 3.574 -2.333 0.296 1.00 0.19 C ATOM 126 O THR A 18 2.478 -2.638 0.766 1.00 0.23 O ATOM 127 CB THR A 18 4.864 -0.253 0.857 1.00 0.27 C ATOM 128 OG1 THR A 18 6.160 0.187 1.295 1.00 0.38 O ATOM 129 CG2 THR A 18 3.785 0.596 1.508 1.00 0.30 C ATOM 0 H THR A 18 6.653 -1.912 0.518 1.00 0.21 H new ATOM 0 HA THR A 18 4.396 -1.864 2.227 1.00 0.20 H new ATOM 0 HB THR A 18 4.781 -0.132 -0.223 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.271 1.138 1.086 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.947 1.645 1.259 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.807 0.284 1.143 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.826 0.470 2.590 1.00 0.30 H new ATOM 137 N TYR A 19 3.882 -2.490 -0.987 1.00 0.21 N ATOM 138 CA TYR A 19 2.932 -3.028 -1.955 1.00 0.28 C ATOM 139 C TYR A 19 2.633 -4.502 -1.678 1.00 0.31 C ATOM 140 O TYR A 19 1.490 -4.945 -1.792 1.00 0.36 O ATOM 141 CB TYR A 19 3.478 -2.847 -3.378 1.00 0.35 C ATOM 142 CG TYR A 19 2.651 -3.513 -4.459 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.434 -2.974 -4.856 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.089 -4.673 -5.083 1.00 0.52 C ATOM 145 CE1 TYR A 19 0.677 -3.574 -5.844 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.337 -5.279 -6.070 1.00 0.59 C ATOM 147 CZ TYR A 19 1.137 -4.745 -6.437 1.00 0.52 C ATOM 148 OH TYR A 19 0.385 -5.317 -7.440 1.00 0.61 O ATOM 0 H TYR A 19 4.791 -2.250 -1.384 1.00 0.21 H new ATOM 0 HA TYR A 19 1.996 -2.478 -1.860 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.545 -1.781 -3.595 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.492 -3.245 -3.418 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.074 -2.071 -4.385 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.033 -5.109 -4.792 1.00 0.52 H new ATOM 0 HE1 TYR A 19 -0.262 -3.138 -6.152 1.00 0.39 H new ATOM 0 HE2 TYR A 19 2.699 -6.176 -6.551 1.00 0.59 H new ATOM 0 HH TYR A 19 -0.084 -4.615 -7.938 1.00 0.61 H new ATOM 158 N GLU A 20 3.660 -5.254 -1.311 1.00 0.32 N ATOM 159 CA GLU A 20 3.509 -6.675 -1.022 1.00 0.40 C ATOM 160 C GLU A 20 2.667 -6.883 0.230 1.00 0.35 C ATOM 161 O GLU A 20 1.863 -7.815 0.302 1.00 0.35 O ATOM 162 CB GLU A 20 4.876 -7.332 -0.844 1.00 0.51 C ATOM 163 CG GLU A 20 5.507 -7.788 -2.151 1.00 1.21 C ATOM 164 CD GLU A 20 4.683 -8.828 -2.898 1.00 1.65 C ATOM 165 OE1 GLU A 20 3.892 -9.557 -2.259 1.00 2.35 O ATOM 166 OE2 GLU A 20 4.849 -8.939 -4.132 1.00 1.93 O ATOM 0 H GLU A 20 4.612 -4.903 -1.206 1.00 0.32 H new ATOM 0 HA GLU A 20 3.000 -7.140 -1.866 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.547 -6.628 -0.352 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.774 -8.191 -0.181 1.00 0.51 H new ATOM 0 HG2 GLU A 20 5.653 -6.921 -2.796 1.00 1.21 H new ATOM 0 HG3 GLU A 20 6.494 -8.200 -1.943 1.00 1.21 H new ATOM 173 N ARG A 21 2.841 -5.999 1.209 1.00 0.33 N ATOM 174 CA ARG A 21 2.081 -6.081 2.448 1.00 0.32 C ATOM 175 C ARG A 21 0.618 -5.769 2.165 1.00 0.26 C ATOM 176 O ARG A 21 -0.282 -6.309 2.800 1.00 0.29 O ATOM 177 CB ARG A 21 2.640 -5.114 3.501 1.00 0.34 C ATOM 178 CG ARG A 21 2.218 -5.445 4.928 1.00 0.48 C ATOM 179 CD ARG A 21 3.402 -5.866 5.775 1.00 0.87 C ATOM 180 NE ARG A 21 3.898 -4.777 6.609 1.00 1.73 N ATOM 181 CZ ARG A 21 4.800 -4.928 7.576 1.00 2.60 C ATOM 182 NH1 ARG A 21 5.339 -6.119 7.810 1.00 2.99 N ATOM 183 NH2 ARG A 21 5.160 -3.883 8.312 1.00 3.57 N ATOM 0 H ARG A 21 3.500 -5.221 1.167 1.00 0.33 H new ATOM 0 HA ARG A 21 2.166 -7.092 2.846 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.728 -5.119 3.444 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.313 -4.102 3.261 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.739 -4.575 5.378 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.478 -6.245 4.913 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.113 -6.704 6.409 1.00 0.87 H new ATOM 0 HD3 ARG A 21 4.204 -6.219 5.126 1.00 0.87 H new ATOM 0 HE ARG A 21 3.530 -3.841 6.441 1.00 1.73 H new ATOM 0 HH11 ARG A 21 5.062 -6.924 7.247 1.00 2.99 H new ATOM 0 HH12 ARG A 21 6.030 -6.229 8.552 1.00 2.99 H new ATOM 0 HH21 ARG A 21 4.746 -2.968 8.136 1.00 3.57 H new ATOM 0 HH22 ARG A 21 5.851 -3.995 9.054 1.00 3.57 H new ATOM 197 N LEU A 22 0.404 -4.914 1.175 1.00 0.22 N ATOM 198 CA LEU A 22 -0.934 -4.524 0.760 1.00 0.20 C ATOM 199 C LEU A 22 -1.581 -5.646 -0.041 1.00 0.23 C ATOM 200 O LEU A 22 -2.776 -5.896 0.081 1.00 0.24 O ATOM 201 CB LEU A 22 -0.858 -3.266 -0.103 1.00 0.22 C ATOM 202 CG LEU A 22 -0.882 -1.939 0.646 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.202 -0.855 -0.179 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.314 -1.554 0.956 1.00 0.33 C ATOM 0 H LEU A 22 1.151 -4.473 0.639 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.534 -4.324 1.647 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.056 -3.310 -0.695 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.692 -3.280 -0.804 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.336 -2.047 1.583 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.226 0.088 0.368 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.833 -1.138 -0.369 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.726 -0.738 -1.128 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.328 -0.605 1.492 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.873 -1.454 0.026 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.773 -2.326 1.574 1.00 0.33 H new ATOM 216 N ARG A 23 -0.777 -6.322 -0.855 1.00 0.27 N ATOM 217 CA ARG A 23 -1.257 -7.424 -1.680 1.00 0.32 C ATOM 218 C ARG A 23 -1.615 -8.620 -0.810 1.00 0.31 C ATOM 219 O ARG A 23 -2.570 -9.348 -1.087 1.00 0.34 O ATOM 220 CB ARG A 23 -0.186 -7.812 -2.706 1.00 0.39 C ATOM 221 CG ARG A 23 -0.746 -8.292 -4.035 1.00 0.82 C ATOM 222 CD ARG A 23 -1.202 -7.132 -4.903 1.00 1.40 C ATOM 223 NE ARG A 23 -1.306 -7.502 -6.315 1.00 1.98 N ATOM 224 CZ ARG A 23 -2.345 -8.157 -6.843 1.00 2.61 C ATOM 225 NH1 ARG A 23 -3.372 -8.504 -6.078 1.00 3.01 N ATOM 226 NH2 ARG A 23 -2.368 -8.448 -8.144 1.00 3.33 N ATOM 0 H ARG A 23 0.218 -6.123 -0.961 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.154 -7.104 -2.210 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.459 -6.952 -2.885 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.440 -8.597 -2.283 1.00 0.39 H new ATOM 0 HG2 ARG A 23 0.014 -8.866 -4.564 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.585 -8.964 -3.855 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -2.170 -6.776 -4.551 1.00 1.40 H new ATOM 0 HD3 ARG A 23 -0.501 -6.304 -4.797 1.00 1.40 H new ATOM 0 HE ARG A 23 -0.538 -7.244 -6.935 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -3.370 -8.271 -5.085 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -4.164 -9.004 -6.483 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -1.590 -8.171 -8.742 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -3.164 -8.948 -8.541 1.00 3.33 H new ATOM 240 N GLU A 24 -0.847 -8.810 0.254 1.00 0.31 N ATOM 241 CA GLU A 24 -1.077 -9.908 1.179 1.00 0.33 C ATOM 242 C GLU A 24 -2.271 -9.599 2.069 1.00 0.28 C ATOM 243 O GLU A 24 -3.067 -10.485 2.389 1.00 0.30 O ATOM 244 CB GLU A 24 0.173 -10.151 2.033 1.00 0.38 C ATOM 245 CG GLU A 24 0.125 -11.439 2.826 1.00 0.61 C ATOM 246 CD GLU A 24 0.074 -11.211 4.323 1.00 1.63 C ATOM 247 OE1 GLU A 24 -0.895 -10.591 4.804 1.00 2.36 O ATOM 248 OE2 GLU A 24 1.000 -11.666 5.031 1.00 2.24 O ATOM 0 H GLU A 24 -0.056 -8.214 0.498 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.290 -10.811 0.607 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.049 -10.166 1.384 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.301 -9.315 2.721 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.749 -12.014 2.522 1.00 0.61 H new ATOM 0 HG3 GLU A 24 1.002 -12.040 2.585 1.00 0.61 H new ATOM 255 N LEU A 25 -2.394 -8.340 2.460 1.00 0.24 N ATOM 256 CA LEU A 25 -3.489 -7.908 3.315 1.00 0.22 C ATOM 257 C LEU A 25 -4.795 -7.896 2.510 1.00 0.18 C ATOM 258 O LEU A 25 -5.859 -8.210 3.034 1.00 0.20 O ATOM 259 CB LEU A 25 -3.197 -6.505 3.874 1.00 0.22 C ATOM 260 CG LEU A 25 -3.501 -6.268 5.362 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.157 -4.912 5.546 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.373 -7.377 5.946 1.00 0.28 C ATOM 0 H LEU A 25 -1.746 -7.597 2.198 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.591 -8.602 4.149 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.143 -6.286 3.705 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.770 -5.783 3.292 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.557 -6.283 5.906 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.370 -4.751 6.603 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.486 -4.131 5.188 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.088 -4.878 4.980 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.565 -7.172 6.999 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.319 -7.418 5.406 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.858 -8.333 5.850 1.00 0.28 H new ATOM 274 N SER A 26 -4.695 -7.539 1.234 1.00 0.17 N ATOM 275 CA SER A 26 -5.853 -7.480 0.352 1.00 0.16 C ATOM 276 C SER A 26 -6.437 -8.875 0.110 1.00 0.19 C ATOM 277 O SER A 26 -7.652 -9.055 0.090 1.00 0.22 O ATOM 278 CB SER A 26 -5.437 -6.839 -0.984 1.00 0.19 C ATOM 279 OG SER A 26 -6.509 -6.789 -1.909 1.00 0.86 O ATOM 0 H SER A 26 -3.815 -7.284 0.785 1.00 0.17 H new ATOM 0 HA SER A 26 -6.626 -6.876 0.827 1.00 0.16 H new ATOM 0 HB2 SER A 26 -5.069 -5.829 -0.802 1.00 0.19 H new ATOM 0 HB3 SER A 26 -4.612 -7.406 -1.416 1.00 0.19 H new ATOM 0 HG SER A 26 -6.154 -6.682 -2.816 1.00 0.86 H new ATOM 285 N LEU A 27 -5.571 -9.859 -0.071 1.00 0.23 N ATOM 286 CA LEU A 27 -6.021 -11.219 -0.324 1.00 0.28 C ATOM 287 C LEU A 27 -6.506 -11.882 0.952 1.00 0.29 C ATOM 288 O LEU A 27 -7.403 -12.730 0.922 1.00 0.34 O ATOM 289 CB LEU A 27 -4.903 -12.035 -0.964 1.00 0.33 C ATOM 290 CG LEU A 27 -5.053 -12.244 -2.473 1.00 0.42 C ATOM 291 CD1 LEU A 27 -4.653 -10.997 -3.240 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.220 -13.424 -2.927 1.00 0.60 C ATOM 0 H LEU A 27 -4.558 -9.743 -0.048 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.862 -11.176 -1.016 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -3.952 -11.538 -0.772 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.858 -13.010 -0.478 1.00 0.33 H new ATOM 0 HG LEU A 27 -6.103 -12.450 -2.681 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -4.770 -11.174 -4.309 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -5.289 -10.165 -2.939 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -3.612 -10.755 -3.024 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.337 -13.560 -4.002 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.171 -13.239 -2.697 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.552 -14.324 -2.409 1.00 0.60 H new ATOM 304 N ASN A 28 -5.918 -11.494 2.069 1.00 0.28 N ATOM 305 CA ASN A 28 -6.299 -12.050 3.355 1.00 0.35 C ATOM 306 C ASN A 28 -7.620 -11.448 3.829 1.00 0.35 C ATOM 307 O ASN A 28 -8.566 -12.177 4.124 1.00 0.42 O ATOM 308 CB ASN A 28 -5.211 -11.814 4.398 1.00 0.41 C ATOM 309 CG ASN A 28 -4.304 -13.017 4.567 1.00 0.84 C ATOM 310 OD1 ASN A 28 -4.772 -14.134 4.780 1.00 1.14 O ATOM 311 ND2 ASN A 28 -3.002 -12.797 4.471 1.00 1.31 N ATOM 0 H ASN A 28 -5.175 -10.796 2.112 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.427 -13.125 3.230 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.614 -10.950 4.107 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.674 -11.574 5.355 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -2.345 -13.570 4.575 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -2.656 -11.854 4.293 1.00 1.31 H new ATOM 318 N LEU A 29 -7.684 -10.115 3.890 1.00 0.33 N ATOM 319 CA LEU A 29 -8.899 -9.430 4.321 1.00 0.38 C ATOM 320 C LEU A 29 -10.044 -9.749 3.383 1.00 0.40 C ATOM 321 O LEU A 29 -11.178 -9.953 3.817 1.00 0.49 O ATOM 322 CB LEU A 29 -8.704 -7.913 4.352 1.00 0.40 C ATOM 323 CG LEU A 29 -7.944 -7.360 5.552 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.415 -5.980 5.228 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.838 -7.306 6.776 1.00 0.39 C ATOM 0 H LEU A 29 -6.912 -9.494 3.647 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.128 -9.781 5.327 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.177 -7.616 3.445 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.685 -7.440 4.320 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.107 -8.023 5.772 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.872 -5.587 6.088 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.744 -6.040 4.371 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.248 -5.318 4.991 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -8.275 -6.908 7.620 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.693 -6.661 6.574 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -9.189 -8.310 7.015 1.00 0.39 H new ATOM 337 N GLY A 30 -9.738 -9.789 2.092 1.00 0.35 N ATOM 338 CA GLY A 30 -10.747 -10.074 1.100 1.00 0.43 C ATOM 339 C GLY A 30 -11.376 -11.444 1.274 1.00 0.53 C ATOM 340 O GLY A 30 -12.536 -11.639 0.925 1.00 0.65 O ATOM 0 H GLY A 30 -8.803 -9.628 1.717 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.526 -9.313 1.152 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.302 -10.007 0.107 1.00 0.43 H new ATOM 344 N ASN A 31 -10.625 -12.393 1.820 1.00 0.53 N ATOM 345 CA ASN A 31 -11.154 -13.740 2.032 1.00 0.66 C ATOM 346 C ASN A 31 -11.678 -13.896 3.458 1.00 0.71 C ATOM 347 O ASN A 31 -12.383 -14.851 3.769 1.00 0.84 O ATOM 348 CB ASN A 31 -10.087 -14.797 1.749 1.00 0.70 C ATOM 349 CG ASN A 31 -10.628 -15.972 0.959 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.793 -15.991 0.558 1.00 1.94 O ATOM 351 ND2 ASN A 31 -9.781 -16.962 0.725 1.00 1.52 N ATOM 0 H ASN A 31 -9.660 -12.261 2.122 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.980 -13.887 1.336 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.265 -14.340 1.198 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.677 -15.156 2.693 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.085 -17.779 0.195 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -8.824 -16.908 1.074 1.00 1.52 H new ATOM 358 N ARG A 32 -11.338 -12.942 4.317 1.00 0.66 N ATOM 359 CA ARG A 32 -11.777 -12.956 5.713 1.00 0.77 C ATOM 360 C ARG A 32 -13.053 -12.131 5.877 1.00 0.86 C ATOM 361 O ARG A 32 -13.665 -12.098 6.944 1.00 1.01 O ATOM 362 CB ARG A 32 -10.667 -12.389 6.599 1.00 0.76 C ATOM 363 CG ARG A 32 -10.880 -12.604 8.088 1.00 0.91 C ATOM 364 CD ARG A 32 -10.173 -11.545 8.919 1.00 1.14 C ATOM 365 NE ARG A 32 -8.740 -11.473 8.626 1.00 2.09 N ATOM 366 CZ ARG A 32 -7.960 -10.455 8.989 1.00 2.75 C ATOM 367 NH1 ARG A 32 -8.481 -9.424 9.648 1.00 2.70 N ATOM 368 NH2 ARG A 32 -6.658 -10.473 8.717 1.00 3.82 N ATOM 0 H ARG A 32 -10.755 -12.142 4.071 1.00 0.66 H new ATOM 0 HA ARG A 32 -11.990 -13.983 6.011 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.720 -12.845 6.310 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.577 -11.320 6.408 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -11.947 -12.586 8.309 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.513 -13.591 8.369 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -10.629 -10.573 8.730 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -10.315 -11.763 9.978 1.00 1.14 H new ATOM 0 HE ARG A 32 -8.314 -12.246 8.115 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -9.475 -9.414 9.875 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -7.886 -8.644 9.927 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -6.250 -11.270 8.227 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -6.067 -9.690 8.998 1.00 3.82 H new ATOM 382 N MET A 33 -13.447 -11.475 4.798 1.00 0.83 N ATOM 383 CA MET A 33 -14.644 -10.651 4.786 1.00 0.96 C ATOM 384 C MET A 33 -15.829 -11.462 4.283 1.00 1.17 C ATOM 385 O MET A 33 -15.654 -12.436 3.550 1.00 1.55 O ATOM 386 CB MET A 33 -14.419 -9.421 3.891 1.00 0.80 C ATOM 387 CG MET A 33 -14.021 -8.169 4.658 1.00 0.95 C ATOM 388 SD MET A 33 -14.068 -6.682 3.636 1.00 1.18 S ATOM 389 CE MET A 33 -15.827 -6.544 3.335 1.00 1.84 C ATOM 0 H MET A 33 -12.948 -11.498 3.909 1.00 0.83 H new ATOM 0 HA MET A 33 -14.858 -10.314 5.800 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.643 -9.651 3.161 1.00 0.80 H new ATOM 0 HB3 MET A 33 -15.332 -9.218 3.331 1.00 0.80 H new ATOM 0 HG2 MET A 33 -14.690 -8.041 5.509 1.00 0.95 H new ATOM 0 HG3 MET A 33 -13.016 -8.298 5.059 1.00 0.95 H new ATOM 0 HE1 MET A 33 -16.074 -5.511 3.089 1.00 1.84 H new ATOM 0 HE2 MET A 33 -16.106 -7.192 2.504 1.00 1.84 H new ATOM 0 HE3 MET A 33 -16.374 -6.845 4.229 1.00 1.84 H new ATOM 399 N VAL A 34 -17.028 -11.069 4.680 1.00 1.22 N ATOM 400 CA VAL A 34 -18.229 -11.766 4.261 1.00 1.41 C ATOM 401 C VAL A 34 -19.154 -10.800 3.534 1.00 1.54 C ATOM 402 O VAL A 34 -19.642 -9.828 4.123 1.00 1.66 O ATOM 403 CB VAL A 34 -18.977 -12.388 5.458 1.00 1.65 C ATOM 404 CG1 VAL A 34 -20.185 -13.169 4.985 1.00 1.87 C ATOM 405 CG2 VAL A 34 -18.053 -13.277 6.271 1.00 1.64 C ATOM 0 H VAL A 34 -17.194 -10.270 5.292 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.929 -12.574 3.594 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.321 -11.577 6.100 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.699 -13.600 5.844 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.864 -12.502 4.453 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.863 -13.968 4.317 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.604 -13.704 7.109 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.673 -14.080 5.640 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.218 -12.686 6.648 1.00 1.64 H new ATOM 415 N PRO A 35 -19.403 -11.040 2.242 1.00 1.58 N ATOM 416 CA PRO A 35 -18.841 -12.169 1.512 1.00 1.51 C ATOM 417 C PRO A 35 -17.459 -11.856 0.947 1.00 1.32 C ATOM 418 O PRO A 35 -17.118 -10.687 0.749 1.00 1.30 O ATOM 419 CB PRO A 35 -19.840 -12.397 0.374 1.00 1.71 C ATOM 420 CG PRO A 35 -20.792 -11.238 0.401 1.00 1.86 C ATOM 421 CD PRO A 35 -20.257 -10.233 1.380 1.00 1.75 C ATOM 0 HA PRO A 35 -18.703 -13.039 2.153 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.327 -12.455 -0.586 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.372 -13.339 0.508 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -20.884 -10.795 -0.591 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.788 -11.568 0.696 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -19.696 -9.443 0.881 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.057 -9.751 1.941 1.00 1.75 H new ATOM 429 N PRO A 36 -16.646 -12.903 0.690 1.00 1.22 N ATOM 430 CA PRO A 36 -15.291 -12.746 0.151 1.00 1.08 C ATOM 431 C PRO A 36 -15.246 -11.778 -1.030 1.00 1.17 C ATOM 432 O PRO A 36 -15.880 -11.996 -2.068 1.00 1.42 O ATOM 433 CB PRO A 36 -14.918 -14.162 -0.284 1.00 1.12 C ATOM 434 CG PRO A 36 -15.666 -15.033 0.663 1.00 1.14 C ATOM 435 CD PRO A 36 -16.979 -14.328 0.917 1.00 1.27 C ATOM 0 HA PRO A 36 -14.603 -12.322 0.882 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -15.208 -14.353 -1.317 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.843 -14.330 -0.219 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.829 -16.024 0.238 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.110 -15.171 1.590 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.759 -14.672 0.238 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.340 -14.501 1.931 1.00 1.27 H new ATOM 443 N VAL A 37 -14.508 -10.702 -0.841 1.00 0.99 N ATOM 444 CA VAL A 37 -14.368 -9.648 -1.841 1.00 1.08 C ATOM 445 C VAL A 37 -13.531 -10.100 -3.023 1.00 1.24 C ATOM 446 O VAL A 37 -13.760 -9.682 -4.154 1.00 2.02 O ATOM 447 CB VAL A 37 -13.702 -8.389 -1.235 1.00 0.81 C ATOM 448 CG1 VAL A 37 -13.996 -7.152 -2.066 1.00 0.95 C ATOM 449 CG2 VAL A 37 -14.135 -8.175 0.205 1.00 0.81 C ATOM 0 H VAL A 37 -13.982 -10.528 0.016 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.377 -9.413 -2.180 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.625 -8.557 -1.246 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.514 -6.286 -1.613 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -13.613 -7.293 -3.077 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.073 -6.988 -2.106 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.650 -7.283 0.602 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -15.217 -8.048 0.245 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.849 -9.040 0.803 1.00 0.81 H new ATOM 459 N GLY A 38 -12.539 -10.931 -2.758 1.00 1.18 N ATOM 460 CA GLY A 38 -11.668 -11.387 -3.815 1.00 1.27 C ATOM 461 C GLY A 38 -10.582 -10.374 -4.085 1.00 1.09 C ATOM 462 O GLY A 38 -9.415 -10.606 -3.775 1.00 1.23 O ATOM 0 H GLY A 38 -12.322 -11.297 -1.831 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -11.221 -12.342 -3.538 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -12.247 -11.557 -4.722 1.00 1.27 H new ATOM 466 N ASN A 39 -10.978 -9.230 -4.618 1.00 0.92 N ATOM 467 CA ASN A 39 -10.049 -8.145 -4.893 1.00 0.82 C ATOM 468 C ASN A 39 -10.357 -6.994 -3.945 1.00 0.64 C ATOM 469 O ASN A 39 -11.067 -6.052 -4.296 1.00 0.74 O ATOM 470 CB ASN A 39 -10.152 -7.687 -6.358 1.00 0.99 C ATOM 471 CG ASN A 39 -8.921 -6.920 -6.814 1.00 1.44 C ATOM 472 OD1 ASN A 39 -7.837 -7.066 -6.243 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.078 -6.097 -7.843 1.00 2.13 N ATOM 0 H ASN A 39 -11.945 -9.027 -4.871 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.028 -8.491 -4.735 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -10.292 -8.557 -6.999 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -11.034 -7.058 -6.478 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -8.285 -5.557 -8.189 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -9.991 -6.005 -8.288 1.00 2.13 H new ATOM 480 N PHE A 40 -9.841 -7.109 -2.730 1.00 0.46 N ATOM 481 CA PHE A 40 -10.058 -6.117 -1.683 1.00 0.32 C ATOM 482 C PHE A 40 -9.599 -4.735 -2.142 1.00 0.28 C ATOM 483 O PHE A 40 -10.339 -3.753 -2.034 1.00 0.52 O ATOM 484 CB PHE A 40 -9.306 -6.569 -0.441 1.00 0.24 C ATOM 485 CG PHE A 40 -9.443 -5.693 0.764 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.685 -5.375 1.286 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.311 -5.202 1.388 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.792 -4.584 2.413 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.407 -4.416 2.513 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.652 -4.099 3.025 1.00 0.33 C ATOM 0 H PHE A 40 -9.258 -7.894 -2.440 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.121 -6.036 -1.456 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.647 -7.570 -0.178 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.248 -6.648 -0.690 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.578 -5.749 0.808 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.337 -5.439 0.986 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.765 -4.345 2.815 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.513 -4.048 2.995 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.733 -3.473 3.902 1.00 0.33 H new ATOM 500 N MET A 41 -8.394 -4.669 -2.683 1.00 0.22 N ATOM 501 CA MET A 41 -7.848 -3.428 -3.195 1.00 0.18 C ATOM 502 C MET A 41 -7.175 -3.688 -4.534 1.00 0.20 C ATOM 503 O MET A 41 -6.272 -4.521 -4.627 1.00 0.24 O ATOM 504 CB MET A 41 -6.851 -2.827 -2.219 1.00 0.17 C ATOM 505 CG MET A 41 -6.702 -1.327 -2.378 1.00 0.21 C ATOM 506 SD MET A 41 -8.291 -0.483 -2.488 1.00 0.28 S ATOM 507 CE MET A 41 -8.296 0.428 -0.948 1.00 0.25 C ATOM 0 H MET A 41 -7.771 -5.471 -2.778 1.00 0.22 H new ATOM 0 HA MET A 41 -8.663 -2.715 -3.325 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.168 -3.050 -1.200 1.00 0.17 H new ATOM 0 HB3 MET A 41 -5.880 -3.301 -2.361 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.141 -0.929 -1.532 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.119 -1.116 -3.275 1.00 0.21 H new ATOM 0 HE1 MET A 41 -9.087 0.046 -0.302 1.00 0.25 H new ATOM 0 HE2 MET A 41 -7.333 0.309 -0.452 1.00 0.25 H new ATOM 0 HE3 MET A 41 -8.472 1.484 -1.151 1.00 0.25 H new ATOM 517 N PRO A 42 -7.619 -2.994 -5.594 1.00 0.20 N ATOM 518 CA PRO A 42 -7.067 -3.164 -6.942 1.00 0.24 C ATOM 519 C PRO A 42 -5.564 -2.921 -6.983 1.00 0.21 C ATOM 520 O PRO A 42 -5.047 -2.061 -6.266 1.00 0.20 O ATOM 521 CB PRO A 42 -7.800 -2.104 -7.766 1.00 0.29 C ATOM 522 CG PRO A 42 -9.053 -1.832 -7.013 1.00 0.27 C ATOM 523 CD PRO A 42 -8.704 -1.998 -5.566 1.00 0.23 C ATOM 0 HA PRO A 42 -7.205 -4.180 -7.313 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.199 -1.201 -7.872 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.014 -2.464 -8.772 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.419 -0.825 -7.214 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.843 -2.523 -7.306 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.377 -1.059 -5.120 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.557 -2.347 -4.984 1.00 0.23 H new ATOM 531 N ASP A 43 -4.877 -3.690 -7.817 1.00 0.23 N ATOM 532 CA ASP A 43 -3.424 -3.591 -7.966 1.00 0.23 C ATOM 533 C ASP A 43 -2.978 -2.160 -8.264 1.00 0.22 C ATOM 534 O ASP A 43 -1.960 -1.693 -7.752 1.00 0.23 O ATOM 535 CB ASP A 43 -2.961 -4.542 -9.076 1.00 0.29 C ATOM 536 CG ASP A 43 -1.808 -4.002 -9.901 1.00 0.78 C ATOM 537 OD1 ASP A 43 -0.663 -4.011 -9.411 1.00 1.51 O ATOM 538 OD2 ASP A 43 -2.045 -3.582 -11.056 1.00 1.08 O ATOM 0 H ASP A 43 -5.307 -4.400 -8.410 1.00 0.23 H new ATOM 0 HA ASP A 43 -2.963 -3.878 -7.021 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -2.663 -5.490 -8.629 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.802 -4.751 -9.737 1.00 0.29 H new ATOM 543 N SER A 44 -3.746 -1.464 -9.086 1.00 0.23 N ATOM 544 CA SER A 44 -3.431 -0.093 -9.445 1.00 0.25 C ATOM 545 C SER A 44 -3.474 0.823 -8.224 1.00 0.23 C ATOM 546 O SER A 44 -2.620 1.693 -8.061 1.00 0.26 O ATOM 547 CB SER A 44 -4.419 0.393 -10.501 1.00 0.32 C ATOM 548 OG SER A 44 -5.386 -0.608 -10.783 1.00 0.57 O ATOM 0 H SER A 44 -4.595 -1.829 -9.518 1.00 0.23 H new ATOM 0 HA SER A 44 -2.418 -0.064 -9.847 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.916 1.298 -10.152 1.00 0.32 H new ATOM 0 HB3 SER A 44 -3.884 0.656 -11.413 1.00 0.32 H new ATOM 0 HG SER A 44 -4.971 -1.326 -11.306 1.00 0.57 H new ATOM 554 N ILE A 45 -4.465 0.609 -7.362 1.00 0.21 N ATOM 555 CA ILE A 45 -4.616 1.411 -6.156 1.00 0.21 C ATOM 556 C ILE A 45 -3.532 1.072 -5.143 1.00 0.17 C ATOM 557 O ILE A 45 -3.025 1.945 -4.444 1.00 0.18 O ATOM 558 CB ILE A 45 -6.006 1.208 -5.503 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.116 1.520 -6.511 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.161 2.079 -4.251 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.353 3.006 -6.711 1.00 0.34 C ATOM 0 H ILE A 45 -5.175 -0.114 -7.479 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.522 2.455 -6.455 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.089 0.165 -5.199 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.862 1.068 -7.470 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.042 1.055 -6.175 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.146 1.916 -3.814 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.393 1.812 -3.525 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.054 3.129 -4.523 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.152 3.152 -7.438 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.638 3.460 -5.762 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.439 3.474 -7.077 1.00 0.34 H new ATOM 573 N LEU A 46 -3.168 -0.201 -5.076 1.00 0.16 N ATOM 574 CA LEU A 46 -2.135 -0.639 -4.149 1.00 0.16 C ATOM 575 C LEU A 46 -0.796 0.005 -4.487 1.00 0.16 C ATOM 576 O LEU A 46 -0.053 0.413 -3.597 1.00 0.19 O ATOM 577 CB LEU A 46 -1.993 -2.160 -4.186 1.00 0.18 C ATOM 578 CG LEU A 46 -3.225 -2.935 -3.726 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.091 -4.409 -4.070 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.440 -2.757 -2.233 1.00 0.19 C ATOM 0 H LEU A 46 -3.570 -0.944 -5.648 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.432 -0.330 -3.147 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -1.752 -2.463 -5.205 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.148 -2.446 -3.560 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.094 -2.537 -4.251 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -3.979 -4.943 -3.734 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -2.986 -4.523 -5.149 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.211 -4.820 -3.575 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.323 -3.317 -1.923 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.568 -3.127 -1.693 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.584 -1.700 -2.010 1.00 0.19 H new ATOM 592 N LYS A 47 -0.497 0.098 -5.779 1.00 0.17 N ATOM 593 CA LYS A 47 0.753 0.685 -6.235 1.00 0.19 C ATOM 594 C LYS A 47 0.847 2.157 -5.869 1.00 0.18 C ATOM 595 O LYS A 47 1.865 2.613 -5.343 1.00 0.20 O ATOM 596 CB LYS A 47 0.875 0.516 -7.748 1.00 0.24 C ATOM 597 CG LYS A 47 1.446 -0.835 -8.142 1.00 0.31 C ATOM 598 CD LYS A 47 1.468 -1.028 -9.647 1.00 0.44 C ATOM 599 CE LYS A 47 2.036 -2.386 -10.025 1.00 0.88 C ATOM 600 NZ LYS A 47 1.198 -3.077 -11.043 1.00 0.97 N ATOM 0 H LYS A 47 -1.107 -0.227 -6.529 1.00 0.17 H new ATOM 0 HA LYS A 47 1.572 0.166 -5.737 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.108 0.637 -8.204 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.511 1.306 -8.148 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.459 -0.928 -7.750 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.853 -1.626 -7.684 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.457 -0.932 -10.042 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.066 -0.241 -10.107 1.00 0.44 H new ATOM 0 HE2 LYS A 47 3.047 -2.261 -10.412 1.00 0.88 H new ATOM 0 HE3 LYS A 47 2.111 -3.009 -9.134 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.812 -3.580 -11.715 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.570 -3.758 -10.571 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.626 -2.376 -11.556 1.00 0.97 H new ATOM 614 N LYS A 48 -0.205 2.908 -6.151 1.00 0.17 N ATOM 615 CA LYS A 48 -0.204 4.335 -5.855 1.00 0.18 C ATOM 616 C LYS A 48 -0.300 4.604 -4.355 1.00 0.18 C ATOM 617 O LYS A 48 0.368 5.498 -3.836 1.00 0.20 O ATOM 618 CB LYS A 48 -1.344 5.052 -6.588 1.00 0.20 C ATOM 619 CG LYS A 48 -2.662 4.295 -6.559 1.00 0.31 C ATOM 620 CD LYS A 48 -3.772 5.048 -7.284 1.00 0.32 C ATOM 621 CE LYS A 48 -3.761 4.797 -8.790 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.912 5.446 -9.480 1.00 0.77 N ATOM 0 H LYS A 48 -1.063 2.560 -6.580 1.00 0.17 H new ATOM 0 HA LYS A 48 0.748 4.730 -6.210 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.490 6.035 -6.140 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.051 5.214 -7.625 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.528 3.316 -7.020 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.958 4.122 -5.524 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.737 4.748 -6.876 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.665 6.116 -7.096 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.829 5.172 -9.212 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -3.786 3.724 -8.977 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.549 4.715 -9.856 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -5.430 6.043 -8.804 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -4.561 6.034 -10.263 1.00 0.77 H new ATOM 636 N MET A 49 -1.130 3.838 -3.660 1.00 0.17 N ATOM 637 CA MET A 49 -1.300 4.025 -2.229 1.00 0.17 C ATOM 638 C MET A 49 -0.024 3.658 -1.473 1.00 0.17 C ATOM 639 O MET A 49 0.246 4.209 -0.412 1.00 0.19 O ATOM 640 CB MET A 49 -2.504 3.235 -1.697 1.00 0.17 C ATOM 641 CG MET A 49 -2.140 1.951 -0.981 1.00 0.19 C ATOM 642 SD MET A 49 -3.086 1.731 0.534 1.00 1.07 S ATOM 643 CE MET A 49 -4.570 0.941 -0.076 1.00 0.22 C ATOM 0 H MET A 49 -1.691 3.087 -4.062 1.00 0.17 H new ATOM 0 HA MET A 49 -1.501 5.082 -2.057 1.00 0.17 H new ATOM 0 HB2 MET A 49 -3.068 3.871 -1.014 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.165 2.998 -2.531 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.316 1.104 -1.644 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.076 1.956 -0.746 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.262 0.778 0.751 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.041 1.579 -0.823 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.313 -0.017 -0.528 1.00 0.22 H new ATOM 653 N ALA A 50 0.758 2.735 -2.018 1.00 0.16 N ATOM 654 CA ALA A 50 1.996 2.325 -1.372 1.00 0.17 C ATOM 655 C ALA A 50 3.130 3.284 -1.700 1.00 0.18 C ATOM 656 O ALA A 50 4.023 3.505 -0.886 1.00 0.22 O ATOM 657 CB ALA A 50 2.383 0.917 -1.798 1.00 0.19 C ATOM 0 H ALA A 50 0.559 2.260 -2.898 1.00 0.16 H new ATOM 0 HA ALA A 50 1.825 2.340 -0.296 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.311 0.630 -1.304 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.592 0.222 -1.517 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.524 0.890 -2.879 1.00 0.19 H new ATOM 663 N ALA A 51 3.095 3.842 -2.902 1.00 0.18 N ATOM 664 CA ALA A 51 4.134 4.763 -3.345 1.00 0.22 C ATOM 665 C ALA A 51 3.961 6.142 -2.720 1.00 0.24 C ATOM 666 O ALA A 51 4.938 6.818 -2.390 1.00 0.30 O ATOM 667 CB ALA A 51 4.128 4.871 -4.866 1.00 0.25 C ATOM 0 H ALA A 51 2.359 3.674 -3.588 1.00 0.18 H new ATOM 0 HA ALA A 51 5.094 4.365 -3.017 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.909 5.562 -5.185 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.313 3.889 -5.301 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.158 5.240 -5.201 1.00 0.25 H new ATOM 673 N ILE A 52 2.719 6.558 -2.574 1.00 0.24 N ATOM 674 CA ILE A 52 2.413 7.860 -2.007 1.00 0.28 C ATOM 675 C ILE A 52 2.137 7.759 -0.510 1.00 0.26 C ATOM 676 O ILE A 52 2.493 8.662 0.253 1.00 0.31 O ATOM 677 CB ILE A 52 1.191 8.479 -2.724 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.596 9.019 -4.103 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.545 9.570 -1.884 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.320 8.054 -5.234 1.00 0.37 C ATOM 0 H ILE A 52 1.900 6.012 -2.841 1.00 0.24 H new ATOM 0 HA ILE A 52 3.282 8.502 -2.152 1.00 0.28 H new ATOM 0 HB ILE A 52 0.450 7.692 -2.863 1.00 0.31 H new ATOM 0 HG12 ILE A 52 1.061 9.950 -4.291 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.659 9.259 -4.092 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.310 9.983 -2.419 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.211 9.149 -0.935 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.271 10.361 -1.695 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.631 8.501 -6.178 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.877 7.131 -5.069 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.253 7.833 -5.271 1.00 0.37 H new ATOM 692 N LEU A 53 1.512 6.652 -0.103 1.00 0.21 N ATOM 693 CA LEU A 53 1.167 6.413 1.301 1.00 0.21 C ATOM 694 C LEU A 53 0.432 7.614 1.891 1.00 0.23 C ATOM 695 O LEU A 53 0.995 8.382 2.677 1.00 0.27 O ATOM 696 CB LEU A 53 2.418 6.078 2.116 1.00 0.24 C ATOM 697 CG LEU A 53 2.842 4.613 2.045 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.138 4.388 2.803 1.00 0.41 C ATOM 699 CD2 LEU A 53 1.746 3.707 2.585 1.00 0.35 C ATOM 0 H LEU A 53 1.232 5.900 -0.733 1.00 0.21 H new ATOM 0 HA LEU A 53 0.496 5.555 1.347 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.242 6.700 1.766 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.240 6.342 3.158 1.00 0.24 H new ATOM 0 HG LEU A 53 3.010 4.362 0.998 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.420 3.337 2.738 1.00 0.41 H new ATOM 0 HD12 LEU A 53 4.926 5.002 2.367 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.000 4.663 3.849 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.070 2.668 2.525 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.541 3.963 3.624 1.00 0.35 H new ATOM 0 HD23 LEU A 53 0.840 3.839 1.993 1.00 0.35 H new ATOM 711 N PRO A 54 -0.832 7.809 1.484 1.00 0.24 N ATOM 712 CA PRO A 54 -1.655 8.924 1.923 1.00 0.30 C ATOM 713 C PRO A 54 -2.496 8.607 3.157 1.00 0.40 C ATOM 714 O PRO A 54 -3.486 7.885 3.076 1.00 0.48 O ATOM 715 CB PRO A 54 -2.559 9.176 0.704 1.00 0.36 C ATOM 716 CG PRO A 54 -2.437 7.963 -0.181 1.00 0.25 C ATOM 717 CD PRO A 54 -1.562 6.971 0.532 1.00 0.23 C ATOM 0 HA PRO A 54 -1.051 9.780 2.225 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.593 9.327 1.013 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.250 10.076 0.172 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.419 7.534 -0.381 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.005 8.233 -1.144 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -2.149 6.203 1.036 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.889 6.458 -0.155 1.00 0.23 H new ATOM 725 N MET A 55 -2.112 9.157 4.298 1.00 0.49 N ATOM 726 CA MET A 55 -2.845 8.927 5.527 1.00 0.64 C ATOM 727 C MET A 55 -3.766 10.099 5.843 1.00 0.72 C ATOM 728 O MET A 55 -4.030 10.394 7.012 1.00 1.02 O ATOM 729 CB MET A 55 -1.877 8.705 6.681 1.00 0.80 C ATOM 730 CG MET A 55 -1.508 7.252 6.872 1.00 1.07 C ATOM 731 SD MET A 55 -2.872 6.266 7.526 1.00 1.66 S ATOM 732 CE MET A 55 -3.204 7.120 9.065 1.00 1.52 C ATOM 0 H MET A 55 -1.298 9.764 4.396 1.00 0.49 H new ATOM 0 HA MET A 55 -3.457 8.035 5.393 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.971 9.284 6.504 1.00 0.80 H new ATOM 0 HB3 MET A 55 -2.323 9.085 7.600 1.00 0.80 H new ATOM 0 HG2 MET A 55 -1.188 6.834 5.917 1.00 1.07 H new ATOM 0 HG3 MET A 55 -0.658 7.184 7.551 1.00 1.07 H new ATOM 0 HE1 MET A 55 -3.734 6.453 9.744 1.00 1.52 H new ATOM 0 HE2 MET A 55 -2.263 7.429 9.520 1.00 1.52 H new ATOM 0 HE3 MET A 55 -3.817 7.999 8.868 1.00 1.52 H new ATOM 742 N ASN A 56 -4.248 10.759 4.799 1.00 0.66 N ATOM 743 CA ASN A 56 -5.143 11.901 4.955 1.00 0.84 C ATOM 744 C ASN A 56 -5.984 12.059 3.686 1.00 0.69 C ATOM 745 O ASN A 56 -5.525 11.736 2.590 1.00 0.59 O ATOM 746 CB ASN A 56 -4.335 13.176 5.285 1.00 1.13 C ATOM 747 CG ASN A 56 -4.703 14.380 4.430 1.00 1.94 C ATOM 748 OD1 ASN A 56 -4.149 14.575 3.354 1.00 2.68 O ATOM 749 ND2 ASN A 56 -5.625 15.205 4.908 1.00 2.34 N ATOM 0 H ASN A 56 -4.034 10.523 3.830 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.822 11.732 5.791 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -4.487 13.428 6.334 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -3.273 12.964 5.158 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -5.894 16.033 4.376 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -6.065 15.012 5.807 1.00 2.34 H new ATOM 756 N ASP A 57 -7.225 12.507 3.854 1.00 0.76 N ATOM 757 CA ASP A 57 -8.167 12.660 2.743 1.00 0.76 C ATOM 758 C ASP A 57 -7.625 13.513 1.602 1.00 0.73 C ATOM 759 O ASP A 57 -7.782 13.160 0.435 1.00 1.11 O ATOM 760 CB ASP A 57 -9.475 13.254 3.246 1.00 0.96 C ATOM 761 CG ASP A 57 -10.536 13.291 2.167 1.00 1.69 C ATOM 762 OD1 ASP A 57 -11.233 12.270 1.984 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.684 14.341 1.506 1.00 2.68 O ATOM 0 H ASP A 57 -7.608 12.774 4.761 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.332 11.661 2.341 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.838 12.668 4.090 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.296 14.265 3.613 1.00 0.96 H new ATOM 768 N SER A 58 -7.006 14.637 1.930 1.00 0.67 N ATOM 769 CA SER A 58 -6.470 15.531 0.908 1.00 0.72 C ATOM 770 C SER A 58 -5.376 14.845 0.087 1.00 0.66 C ATOM 771 O SER A 58 -5.226 15.088 -1.110 1.00 0.77 O ATOM 772 CB SER A 58 -5.944 16.802 1.570 1.00 0.87 C ATOM 773 OG SER A 58 -6.539 16.983 2.849 1.00 1.02 O ATOM 0 H SER A 58 -6.862 14.953 2.889 1.00 0.67 H new ATOM 0 HA SER A 58 -7.271 15.795 0.217 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.860 16.744 1.672 1.00 0.87 H new ATOM 0 HB3 SER A 58 -6.159 17.664 0.938 1.00 0.87 H new ATOM 0 HG SER A 58 -6.020 17.637 3.362 1.00 1.02 H new ATOM 779 N ALA A 59 -4.617 13.980 0.740 1.00 0.58 N ATOM 780 CA ALA A 59 -3.543 13.258 0.081 1.00 0.59 C ATOM 781 C ALA A 59 -4.092 12.102 -0.745 1.00 0.51 C ATOM 782 O ALA A 59 -3.512 11.733 -1.764 1.00 0.59 O ATOM 783 CB ALA A 59 -2.532 12.758 1.102 1.00 0.62 C ATOM 0 H ALA A 59 -4.726 13.761 1.730 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.036 13.945 -0.597 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.734 12.219 0.590 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.110 13.606 1.641 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.027 12.090 1.807 1.00 0.62 H new ATOM 789 N PHE A 60 -5.216 11.536 -0.302 1.00 0.40 N ATOM 790 CA PHE A 60 -5.848 10.413 -1.005 1.00 0.37 C ATOM 791 C PHE A 60 -6.226 10.778 -2.436 1.00 0.42 C ATOM 792 O PHE A 60 -6.328 9.910 -3.302 1.00 0.46 O ATOM 793 CB PHE A 60 -7.089 9.921 -0.253 1.00 0.33 C ATOM 794 CG PHE A 60 -6.826 8.675 0.544 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.797 7.807 0.206 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.595 8.381 1.657 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.566 6.665 0.952 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.365 7.246 2.402 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.330 6.345 1.977 1.00 0.24 C ATOM 0 H PHE A 60 -5.709 11.835 0.540 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.111 9.611 -1.041 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.440 10.708 0.415 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.890 9.729 -0.967 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.171 8.025 -0.647 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.389 9.054 1.946 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.740 6.021 0.688 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -7.950 7.038 3.286 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.179 5.410 2.495 1.00 0.24 H new ATOM 809 N ALA A 61 -6.432 12.069 -2.673 1.00 0.47 N ATOM 810 CA ALA A 61 -6.802 12.562 -3.993 1.00 0.56 C ATOM 811 C ALA A 61 -5.742 12.232 -5.046 1.00 0.58 C ATOM 812 O ALA A 61 -6.050 12.143 -6.232 1.00 0.64 O ATOM 813 CB ALA A 61 -7.027 14.063 -3.939 1.00 0.67 C ATOM 0 H ALA A 61 -6.348 12.796 -1.963 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.724 12.060 -4.286 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.303 14.425 -4.929 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.828 14.286 -3.234 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.111 14.557 -3.615 1.00 0.67 H new ATOM 819 N THR A 62 -4.497 12.047 -4.613 1.00 0.57 N ATOM 820 CA THR A 62 -3.406 11.737 -5.531 1.00 0.64 C ATOM 821 C THR A 62 -3.543 10.329 -6.108 1.00 0.53 C ATOM 822 O THR A 62 -2.887 9.977 -7.096 1.00 0.57 O ATOM 823 CB THR A 62 -2.045 11.876 -4.840 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.969 10.965 -3.737 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.831 13.304 -4.347 1.00 1.13 C ATOM 0 H THR A 62 -4.220 12.106 -3.633 1.00 0.57 H new ATOM 0 HA THR A 62 -3.465 12.456 -6.348 1.00 0.64 H new ATOM 0 HB THR A 62 -1.264 11.641 -5.562 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.217 11.430 -2.911 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.859 13.379 -3.860 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.867 13.990 -5.193 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.614 13.564 -3.635 1.00 1.13 H new ATOM 833 N LEU A 63 -4.413 9.534 -5.506 1.00 0.44 N ATOM 834 CA LEU A 63 -4.653 8.180 -5.969 1.00 0.40 C ATOM 835 C LEU A 63 -5.605 8.183 -7.164 1.00 0.48 C ATOM 836 O LEU A 63 -6.115 7.135 -7.562 1.00 0.68 O ATOM 837 CB LEU A 63 -5.262 7.328 -4.853 1.00 0.34 C ATOM 838 CG LEU A 63 -4.447 7.229 -3.564 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.085 6.227 -2.621 1.00 0.28 C ATOM 840 CD2 LEU A 63 -3.004 6.852 -3.867 1.00 0.27 C ATOM 0 H LEU A 63 -4.966 9.806 -4.693 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.694 7.756 -6.267 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -6.244 7.733 -4.608 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.420 6.320 -5.238 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.440 8.204 -3.077 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.497 6.164 -1.705 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.098 6.548 -2.380 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.119 5.248 -3.099 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.442 6.787 -2.936 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.979 5.888 -4.374 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.557 7.611 -4.509 1.00 0.27 H new ATOM 852 N GLY A 64 -5.862 9.362 -7.717 1.00 0.63 N ATOM 853 CA GLY A 64 -6.773 9.463 -8.833 1.00 0.76 C ATOM 854 C GLY A 64 -8.184 9.606 -8.328 1.00 0.91 C ATOM 855 O GLY A 64 -9.120 9.043 -8.898 1.00 1.61 O ATOM 0 H GLY A 64 -5.455 10.246 -7.411 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -6.510 10.320 -9.452 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.690 8.577 -9.463 1.00 0.76 H new ATOM 859 N THR A 65 -8.314 10.363 -7.239 1.00 1.22 N ATOM 860 CA THR A 65 -9.591 10.613 -6.571 1.00 1.52 C ATOM 861 C THR A 65 -10.353 9.310 -6.323 1.00 1.28 C ATOM 862 O THR A 65 -11.294 8.976 -7.049 1.00 1.56 O ATOM 863 CB THR A 65 -10.494 11.609 -7.340 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.477 11.329 -8.747 1.00 2.14 O ATOM 865 CG2 THR A 65 -10.034 13.038 -7.084 1.00 2.55 C ATOM 0 H THR A 65 -7.524 10.826 -6.790 1.00 1.22 H new ATOM 0 HA THR A 65 -9.339 11.072 -5.615 1.00 1.52 H new ATOM 0 HB THR A 65 -11.516 11.495 -6.980 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.353 10.367 -8.888 1.00 2.14 H new ATOM 0 HG21 THR A 65 -10.676 13.730 -7.629 1.00 2.55 H new ATOM 0 HG22 THR A 65 -10.092 13.253 -6.017 1.00 2.55 H new ATOM 0 HG23 THR A 65 -9.004 13.155 -7.422 1.00 2.55 H new ATOM 873 N VAL A 66 -9.938 8.584 -5.285 1.00 0.89 N ATOM 874 CA VAL A 66 -10.578 7.323 -4.923 1.00 0.69 C ATOM 875 C VAL A 66 -12.049 7.532 -4.597 1.00 0.68 C ATOM 876 O VAL A 66 -12.412 8.451 -3.854 1.00 0.72 O ATOM 877 CB VAL A 66 -9.888 6.635 -3.722 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.550 6.059 -4.143 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.713 7.589 -2.549 1.00 0.58 C ATOM 0 H VAL A 66 -9.160 8.849 -4.680 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.482 6.672 -5.792 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.535 5.823 -3.389 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.076 5.578 -3.288 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.703 5.325 -4.934 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -7.909 6.860 -4.511 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.225 7.068 -1.726 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.100 8.436 -2.857 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.689 7.948 -2.223 1.00 0.58 H new ATOM 889 N GLU A 67 -12.881 6.674 -5.165 1.00 0.72 N ATOM 890 CA GLU A 67 -14.318 6.740 -4.956 1.00 0.79 C ATOM 891 C GLU A 67 -14.661 6.380 -3.515 1.00 0.63 C ATOM 892 O GLU A 67 -13.847 5.782 -2.808 1.00 0.49 O ATOM 893 CB GLU A 67 -15.033 5.787 -5.914 1.00 0.94 C ATOM 894 CG GLU A 67 -16.109 6.454 -6.737 1.00 1.19 C ATOM 895 CD GLU A 67 -16.554 5.600 -7.902 1.00 1.70 C ATOM 896 OE1 GLU A 67 -15.703 5.241 -8.735 1.00 2.16 O ATOM 897 OE2 GLU A 67 -17.755 5.262 -7.980 1.00 2.42 O ATOM 0 H GLU A 67 -12.582 5.917 -5.780 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.651 7.759 -5.153 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.299 5.340 -6.584 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -15.477 4.974 -5.340 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.967 6.672 -6.101 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.738 7.409 -7.110 1.00 1.19 H new ATOM 904 N ASP A 68 -15.863 6.737 -3.081 1.00 0.71 N ATOM 905 CA ASP A 68 -16.290 6.445 -1.720 1.00 0.67 C ATOM 906 C ASP A 68 -16.276 4.947 -1.442 1.00 0.54 C ATOM 907 O ASP A 68 -15.931 4.525 -0.336 1.00 0.55 O ATOM 908 CB ASP A 68 -17.675 7.014 -1.442 1.00 0.85 C ATOM 909 CG ASP A 68 -17.863 7.315 0.032 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.137 8.183 0.562 1.00 1.72 O ATOM 911 OD2 ASP A 68 -18.733 6.682 0.665 1.00 1.61 O ATOM 0 H ASP A 68 -16.555 7.226 -3.648 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.577 6.926 -1.050 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -17.819 7.925 -2.022 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.434 6.304 -1.770 1.00 0.85 H new ATOM 916 N LYS A 69 -16.629 4.146 -2.447 1.00 0.55 N ATOM 917 CA LYS A 69 -16.640 2.690 -2.300 1.00 0.58 C ATOM 918 C LYS A 69 -15.249 2.175 -1.921 1.00 0.51 C ATOM 919 O LYS A 69 -15.115 1.139 -1.265 1.00 0.60 O ATOM 920 CB LYS A 69 -17.139 1.999 -3.581 1.00 0.71 C ATOM 921 CG LYS A 69 -16.343 2.339 -4.826 1.00 0.82 C ATOM 922 CD LYS A 69 -17.251 2.669 -5.994 1.00 1.15 C ATOM 923 CE LYS A 69 -16.905 1.838 -7.208 1.00 1.53 C ATOM 924 NZ LYS A 69 -17.311 2.509 -8.469 1.00 1.97 N ATOM 0 H LYS A 69 -16.910 4.479 -3.369 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.334 2.444 -1.496 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.113 0.920 -3.431 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.181 2.273 -3.745 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.690 3.187 -4.621 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.701 1.498 -5.089 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.289 2.491 -5.712 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -17.164 3.728 -6.238 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -15.832 1.650 -7.226 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -17.398 0.868 -7.137 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -18.028 1.933 -8.954 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -17.708 3.445 -8.252 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.481 2.620 -9.086 1.00 1.97 H new ATOM 938 N TYR A 70 -14.217 2.917 -2.305 1.00 0.43 N ATOM 939 CA TYR A 70 -12.850 2.545 -1.972 1.00 0.39 C ATOM 940 C TYR A 70 -12.509 3.056 -0.578 1.00 0.33 C ATOM 941 O TYR A 70 -11.736 2.442 0.154 1.00 0.34 O ATOM 942 CB TYR A 70 -11.866 3.112 -2.996 1.00 0.47 C ATOM 943 CG TYR A 70 -12.001 2.501 -4.374 1.00 0.60 C ATOM 944 CD1 TYR A 70 -11.314 1.339 -4.706 1.00 1.05 C ATOM 945 CD2 TYR A 70 -12.799 3.090 -5.350 1.00 1.18 C ATOM 946 CE1 TYR A 70 -11.425 0.777 -5.962 1.00 1.16 C ATOM 947 CE2 TYR A 70 -12.915 2.532 -6.611 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.221 1.378 -6.913 1.00 0.94 C ATOM 949 OH TYR A 70 -12.329 0.816 -8.167 1.00 1.11 O ATOM 0 H TYR A 70 -14.302 3.778 -2.846 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.769 1.458 -1.991 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.013 4.189 -3.070 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.849 2.953 -2.636 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -10.682 0.867 -3.968 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -13.337 3.998 -5.120 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -10.890 -0.131 -6.199 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -13.545 2.997 -7.355 1.00 1.29 H new ATOM 0 HH TYR A 70 -12.928 1.360 -8.719 1.00 1.11 H new ATOM 959 N ARG A 71 -13.115 4.181 -0.224 1.00 0.37 N ATOM 960 CA ARG A 71 -12.914 4.809 1.076 1.00 0.46 C ATOM 961 C ARG A 71 -13.506 3.962 2.209 1.00 0.52 C ATOM 962 O ARG A 71 -12.933 3.863 3.291 1.00 0.59 O ATOM 963 CB ARG A 71 -13.568 6.186 1.093 1.00 0.60 C ATOM 964 CG ARG A 71 -12.598 7.316 1.349 1.00 0.81 C ATOM 965 CD ARG A 71 -12.822 8.442 0.361 1.00 0.97 C ATOM 966 NE ARG A 71 -14.201 8.929 0.392 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.539 10.202 0.588 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.609 11.135 0.738 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.813 10.539 0.649 1.00 2.53 N ATOM 0 H ARG A 71 -13.761 4.685 -0.831 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.840 4.899 1.236 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.064 6.355 0.137 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -14.341 6.202 1.861 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.723 7.687 2.366 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -11.575 6.950 1.267 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.142 9.263 0.586 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -12.582 8.096 -0.644 1.00 0.97 H new ATOM 0 HE ARG A 71 -14.951 8.251 0.255 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -12.622 10.881 0.704 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -13.881 12.107 0.888 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -16.535 9.826 0.546 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -16.076 11.513 0.799 1.00 2.53 H new ATOM 983 N ARG A 72 -14.679 3.382 1.962 1.00 0.57 N ATOM 984 CA ARG A 72 -15.381 2.574 2.965 1.00 0.72 C ATOM 985 C ARG A 72 -14.532 1.427 3.490 1.00 0.68 C ATOM 986 O ARG A 72 -14.492 1.177 4.687 1.00 0.82 O ATOM 987 CB ARG A 72 -16.667 2.013 2.388 1.00 0.87 C ATOM 988 CG ARG A 72 -17.726 3.066 2.147 1.00 1.22 C ATOM 989 CD ARG A 72 -18.260 2.946 0.741 1.00 1.78 C ATOM 990 NE ARG A 72 -19.721 2.973 0.699 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.480 1.964 0.277 1.00 3.47 C ATOM 992 NH1 ARG A 72 -19.923 0.827 -0.132 1.00 3.77 N ATOM 993 NH2 ARG A 72 -21.803 2.097 0.263 1.00 4.38 N ATOM 0 H ARG A 72 -15.168 3.456 1.070 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.601 3.240 3.800 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.445 1.509 1.447 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -17.063 1.259 3.068 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -18.538 2.948 2.865 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.305 4.059 2.302 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.866 3.761 0.134 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -17.903 2.017 0.297 1.00 1.78 H new ATOM 0 HE ARG A 72 -20.190 3.822 1.014 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -18.908 0.724 -0.123 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -20.511 0.058 -0.454 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -22.231 2.969 0.575 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -22.390 1.327 -0.059 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.860 0.721 2.598 1.00 0.63 N ATOM 1008 CA ARG A 73 -13.021 -0.393 3.018 1.00 0.70 C ATOM 1009 C ARG A 73 -11.585 0.089 3.223 1.00 0.53 C ATOM 1010 O ARG A 73 -10.722 -0.663 3.676 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.094 -1.552 2.011 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.992 -1.552 0.967 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.359 -0.679 -0.214 1.00 0.71 C ATOM 1014 NE ARG A 73 -11.871 -1.239 -1.473 1.00 1.08 N ATOM 1015 CZ ARG A 73 -12.627 -1.448 -2.554 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -13.898 -1.071 -2.569 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -12.098 -2.029 -3.626 1.00 1.44 N ATOM 0 H ARG A 73 -13.876 0.893 1.593 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.392 -0.776 3.969 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.058 -2.494 2.558 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.058 -1.515 1.503 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.064 -1.194 1.413 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.809 -2.571 0.627 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -13.442 -0.567 -0.261 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.942 0.318 -0.073 1.00 0.71 H new ATOM 0 HE ARG A 73 -10.883 -1.488 -1.530 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -14.305 -0.618 -1.751 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -14.469 -1.234 -3.399 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -11.118 -2.313 -3.621 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -12.672 -2.191 -4.454 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.349 1.363 2.905 1.00 0.36 N ATOM 1032 CA PHE A 74 -10.020 1.966 3.067 1.00 0.26 C ATOM 1033 C PHE A 74 -9.557 1.886 4.519 1.00 0.22 C ATOM 1034 O PHE A 74 -8.372 1.718 4.798 1.00 0.30 O ATOM 1035 CB PHE A 74 -10.015 3.429 2.609 1.00 0.27 C ATOM 1036 CG PHE A 74 -9.030 3.707 1.513 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.796 3.074 1.484 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.336 4.616 0.521 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.893 3.343 0.477 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.437 4.887 -0.485 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.209 4.182 -0.518 1.00 0.30 C ATOM 0 H PHE A 74 -12.057 1.997 2.535 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.330 1.400 2.442 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -11.014 3.698 2.266 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.788 4.068 3.462 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.540 2.364 2.257 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.291 5.120 0.534 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.921 2.872 0.491 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.665 5.627 -1.238 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.528 4.321 -1.345 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.508 2.019 5.432 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.225 1.975 6.868 1.00 0.30 C ATOM 1053 C LYS A 75 -9.577 0.653 7.284 1.00 0.28 C ATOM 1054 O LYS A 75 -8.890 0.581 8.301 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.510 2.197 7.669 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.767 1.694 6.980 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.588 0.803 7.902 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.062 1.178 7.872 1.00 1.28 C ATOM 1059 NZ LYS A 75 -15.499 1.810 9.141 1.00 1.72 N ATOM 0 H LYS A 75 -11.493 2.160 5.206 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.517 2.775 7.083 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.414 1.699 8.634 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.621 3.263 7.870 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -13.371 2.542 6.658 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.494 1.138 6.083 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.470 -0.239 7.603 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -13.211 0.887 8.921 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -15.245 1.862 7.044 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.660 0.286 7.686 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.509 2.050 9.079 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -15.348 1.148 9.929 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -14.947 2.676 9.306 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.788 -0.388 6.490 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.216 -1.697 6.776 1.00 0.22 C ATOM 1075 C TYR A 76 -7.743 -1.743 6.388 1.00 0.20 C ATOM 1076 O TYR A 76 -7.045 -2.714 6.674 1.00 0.23 O ATOM 1077 CB TYR A 76 -9.991 -2.799 6.053 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.357 -3.077 6.642 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.497 -3.887 7.760 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.502 -2.522 6.084 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -12.740 -4.138 8.304 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.750 -2.766 6.624 1.00 0.61 C ATOM 1083 CZ TYR A 76 -13.866 -3.602 7.715 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.106 -3.822 8.276 1.00 0.99 O ATOM 0 H TYR A 76 -10.352 -0.351 5.641 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.294 -1.869 7.850 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -10.108 -2.520 5.006 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.403 -3.717 6.075 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -10.620 -4.327 8.211 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.415 -1.889 5.213 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -12.831 -4.752 9.188 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.628 -2.306 6.195 1.00 0.61 H new ATOM 0 HH TYR A 76 -15.792 -3.374 7.738 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.274 -0.682 5.744 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.880 -0.589 5.332 1.00 0.21 C ATOM 1096 C PHE A 77 -5.176 0.521 6.106 1.00 0.24 C ATOM 1097 O PHE A 77 -3.949 0.579 6.158 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.787 -0.281 3.833 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.579 -1.481 2.953 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.657 -2.448 3.311 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.311 -1.663 1.791 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.464 -3.567 2.530 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.122 -2.786 1.006 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.185 -3.660 1.274 1.00 0.24 C ATOM 0 H PHE A 77 -7.841 0.129 5.495 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.399 -1.545 5.539 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.702 0.225 3.523 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.966 0.417 3.671 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.080 -2.324 4.216 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.037 -0.920 1.495 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.794 -4.354 2.844 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.763 -2.946 0.151 1.00 0.26 H new ATOM 0 HZ PHE A 77 -4.951 -4.442 0.567 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.972 1.410 6.701 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.457 2.554 7.461 1.00 0.34 C ATOM 1116 C LYS A 78 -4.481 2.147 8.566 1.00 0.37 C ATOM 1117 O LYS A 78 -3.584 2.913 8.916 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.622 3.328 8.069 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.775 4.729 7.501 1.00 0.68 C ATOM 1120 CD LYS A 78 -8.203 4.987 7.053 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.733 6.324 7.558 1.00 0.98 C ATOM 1122 NZ LYS A 78 -10.160 6.241 7.952 1.00 1.37 N ATOM 0 H LYS A 78 -6.990 1.359 6.671 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.903 3.179 6.761 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.545 2.773 7.901 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.481 3.394 9.148 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.489 5.463 8.254 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -6.097 4.858 6.657 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -8.249 4.968 5.964 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.846 4.184 7.414 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -8.139 6.651 8.412 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.615 7.078 6.780 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -10.482 7.171 8.289 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -10.731 5.954 7.131 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -10.270 5.540 8.712 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.650 0.953 9.107 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.772 0.471 10.158 1.00 0.46 C ATOM 1138 C ALA A 79 -2.390 0.142 9.595 1.00 0.41 C ATOM 1139 O ALA A 79 -1.375 0.329 10.268 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.388 -0.744 10.831 1.00 0.56 C ATOM 0 H ALA A 79 -5.386 0.301 8.836 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.650 1.256 10.904 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.723 -1.100 11.618 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.350 -0.471 11.264 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.533 -1.534 10.094 1.00 0.56 H new ATOM 1146 N THR A 80 -2.349 -0.345 8.363 1.00 0.31 N ATOM 1147 CA THR A 80 -1.087 -0.695 7.733 1.00 0.30 C ATOM 1148 C THR A 80 -0.463 0.518 7.045 1.00 0.24 C ATOM 1149 O THR A 80 0.751 0.715 7.106 1.00 0.27 O ATOM 1150 CB THR A 80 -1.282 -1.839 6.720 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.369 -2.676 7.148 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.015 -2.679 6.594 1.00 0.46 C ATOM 0 H THR A 80 -3.172 -0.506 7.783 1.00 0.31 H new ATOM 0 HA THR A 80 -0.407 -1.034 8.515 1.00 0.30 H new ATOM 0 HB THR A 80 -1.506 -1.403 5.746 1.00 0.36 H new ATOM 0 HG1 THR A 80 -2.143 -3.615 6.983 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.179 -3.480 5.873 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.807 -2.049 6.255 1.00 0.46 H new ATOM 0 HG23 THR A 80 0.234 -3.110 7.564 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.304 1.329 6.402 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.839 2.532 5.716 1.00 0.24 C ATOM 1162 C ILE A 81 -0.127 3.457 6.703 1.00 0.28 C ATOM 1163 O ILE A 81 0.926 4.018 6.396 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.994 3.320 5.046 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.779 2.432 4.092 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.456 4.535 4.296 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -4.080 3.059 3.628 1.00 0.55 C ATOM 0 H ILE A 81 -2.310 1.173 6.343 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.155 2.200 4.934 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.663 3.660 5.836 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.161 2.207 3.223 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.995 1.483 4.583 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.284 5.073 3.834 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.939 5.194 4.994 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.760 4.207 3.524 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.592 2.376 2.950 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.716 3.259 4.491 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.869 3.994 3.109 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.719 3.604 7.893 1.00 0.31 N ATOM 1180 CA ALA A 82 -0.175 4.456 8.950 1.00 0.39 C ATOM 1181 C ALA A 82 1.215 4.005 9.383 1.00 0.41 C ATOM 1182 O ALA A 82 2.092 4.829 9.657 1.00 0.53 O ATOM 1183 CB ALA A 82 -1.114 4.463 10.156 1.00 0.46 C ATOM 0 H ALA A 82 -1.588 3.135 8.148 1.00 0.31 H new ATOM 0 HA ALA A 82 -0.089 5.465 8.546 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.699 5.100 10.937 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -2.089 4.846 9.855 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.224 3.448 10.537 1.00 0.46 H new ATOM 1189 N ASP A 83 1.407 2.699 9.465 1.00 0.37 N ATOM 1190 CA ASP A 83 2.688 2.144 9.891 1.00 0.42 C ATOM 1191 C ASP A 83 3.728 2.214 8.779 1.00 0.39 C ATOM 1192 O ASP A 83 4.860 2.622 9.009 1.00 0.46 O ATOM 1193 CB ASP A 83 2.504 0.691 10.356 1.00 0.47 C ATOM 1194 CG ASP A 83 3.821 -0.017 10.611 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.387 0.136 11.717 1.00 1.37 O ATOM 1196 OD2 ASP A 83 4.281 -0.755 9.721 1.00 1.40 O ATOM 0 H ASP A 83 0.696 2.002 9.244 1.00 0.37 H new ATOM 0 HA ASP A 83 3.053 2.746 10.724 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.908 0.679 11.269 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.942 0.141 9.601 1.00 0.47 H new ATOM 1201 N LEU A 84 3.341 1.814 7.575 1.00 0.32 N ATOM 1202 CA LEU A 84 4.249 1.814 6.433 1.00 0.31 C ATOM 1203 C LEU A 84 4.751 3.221 6.090 1.00 0.35 C ATOM 1204 O LEU A 84 5.882 3.381 5.612 1.00 0.42 O ATOM 1205 CB LEU A 84 3.559 1.186 5.221 1.00 0.29 C ATOM 1206 CG LEU A 84 3.263 -0.309 5.354 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.134 -0.711 4.431 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.502 -1.136 5.068 1.00 0.48 C ATOM 0 H LEU A 84 2.400 1.484 7.362 1.00 0.32 H new ATOM 0 HA LEU A 84 5.122 1.221 6.706 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.622 1.713 5.041 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.186 1.341 4.343 1.00 0.29 H new ATOM 0 HG LEU A 84 2.957 -0.502 6.382 1.00 0.36 H new ATOM 0 HD11 LEU A 84 1.938 -1.778 4.539 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.236 -0.149 4.688 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.413 -0.497 3.399 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.264 -2.195 5.169 1.00 0.48 H new ATOM 0 HD22 LEU A 84 4.846 -0.937 4.053 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.288 -0.871 5.776 1.00 0.48 H new ATOM 1220 N SER A 85 3.926 4.240 6.351 1.00 0.37 N ATOM 1221 CA SER A 85 4.317 5.621 6.076 1.00 0.50 C ATOM 1222 C SER A 85 5.334 6.107 7.105 1.00 0.61 C ATOM 1223 O SER A 85 6.155 6.975 6.818 1.00 0.73 O ATOM 1224 CB SER A 85 3.092 6.548 6.066 1.00 0.57 C ATOM 1225 OG SER A 85 2.148 6.180 7.055 1.00 1.37 O ATOM 0 H SER A 85 2.993 4.134 6.748 1.00 0.37 H new ATOM 0 HA SER A 85 4.777 5.648 5.088 1.00 0.50 H new ATOM 0 HB2 SER A 85 3.413 7.576 6.234 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.621 6.517 5.084 1.00 0.57 H new ATOM 0 HG SER A 85 1.496 5.558 6.670 1.00 1.37 H new ATOM 1231 N LYS A 86 5.277 5.532 8.301 1.00 0.60 N ATOM 1232 CA LYS A 86 6.191 5.894 9.373 1.00 0.74 C ATOM 1233 C LYS A 86 7.348 4.904 9.457 1.00 0.78 C ATOM 1234 O LYS A 86 8.146 4.949 10.395 1.00 0.98 O ATOM 1235 CB LYS A 86 5.444 5.936 10.705 1.00 0.75 C ATOM 1236 CG LYS A 86 4.603 7.191 10.889 1.00 1.29 C ATOM 1237 CD LYS A 86 3.622 7.060 12.047 1.00 1.79 C ATOM 1238 CE LYS A 86 3.086 8.415 12.468 1.00 2.34 C ATOM 1239 NZ LYS A 86 1.604 8.479 12.367 1.00 3.07 N ATOM 0 H LYS A 86 4.602 4.809 8.551 1.00 0.60 H new ATOM 0 HA LYS A 86 6.598 6.882 9.157 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.798 5.061 10.778 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.165 5.869 11.519 1.00 0.75 H new ATOM 0 HG2 LYS A 86 5.259 8.044 11.065 1.00 1.29 H new ATOM 0 HG3 LYS A 86 4.053 7.396 9.970 1.00 1.29 H new ATOM 0 HD2 LYS A 86 2.795 6.414 11.755 1.00 1.79 H new ATOM 0 HD3 LYS A 86 4.116 6.582 12.893 1.00 1.79 H new ATOM 0 HE2 LYS A 86 3.390 8.623 13.494 1.00 2.34 H new ATOM 0 HE3 LYS A 86 3.527 9.191 11.842 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 1.276 9.420 12.663 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 1.315 8.306 11.383 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 1.182 7.756 12.984 1.00 3.07 H new ATOM 1253 N LYS A 87 7.424 3.997 8.484 1.00 0.75 N ATOM 1254 CA LYS A 87 8.480 2.983 8.455 1.00 0.86 C ATOM 1255 C LYS A 87 9.112 2.878 7.076 1.00 0.93 C ATOM 1256 O LYS A 87 9.995 2.051 6.856 1.00 1.11 O ATOM 1257 CB LYS A 87 7.933 1.611 8.870 1.00 0.91 C ATOM 1258 CG LYS A 87 7.355 1.589 10.268 1.00 1.01 C ATOM 1259 CD LYS A 87 8.156 0.703 11.196 1.00 1.35 C ATOM 1260 CE LYS A 87 7.607 0.798 12.603 1.00 2.18 C ATOM 1261 NZ LYS A 87 6.844 -0.417 12.992 1.00 2.78 N ATOM 0 H LYS A 87 6.768 3.943 7.705 1.00 0.75 H new ATOM 0 HA LYS A 87 9.244 3.296 9.167 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.162 1.307 8.162 1.00 0.91 H new ATOM 0 HB3 LYS A 87 8.734 0.875 8.805 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.330 2.603 10.666 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.324 1.236 10.229 1.00 1.01 H new ATOM 0 HD2 LYS A 87 8.116 -0.330 10.850 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.204 1.003 11.184 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.429 0.948 13.303 1.00 2.18 H new ATOM 0 HE3 LYS A 87 6.960 1.672 12.680 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 6.779 -0.469 14.029 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 5.887 -0.370 12.587 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 7.331 -1.263 12.633 1.00 2.78 H new ATOM 1275 N ARG A 88 8.652 3.720 6.155 1.00 0.86 N ATOM 1276 CA ARG A 88 9.168 3.724 4.794 1.00 1.01 C ATOM 1277 C ARG A 88 10.656 4.066 4.775 1.00 1.29 C ATOM 1278 O ARG A 88 11.061 5.124 5.262 1.00 1.77 O ATOM 1279 CB ARG A 88 8.384 4.713 3.924 1.00 1.08 C ATOM 1280 CG ARG A 88 8.872 4.764 2.486 1.00 1.51 C ATOM 1281 CD ARG A 88 8.636 6.124 1.852 1.00 1.54 C ATOM 1282 NE ARG A 88 8.501 7.193 2.847 1.00 1.87 N ATOM 1283 CZ ARG A 88 8.113 8.433 2.549 1.00 2.17 C ATOM 1284 NH1 ARG A 88 7.855 8.763 1.285 1.00 2.14 N ATOM 1285 NH2 ARG A 88 8.008 9.344 3.510 1.00 3.01 N ATOM 0 H ARG A 88 7.921 4.409 6.329 1.00 0.86 H new ATOM 0 HA ARG A 88 9.042 2.722 4.383 1.00 1.01 H new ATOM 0 HB2 ARG A 88 7.329 4.438 3.933 1.00 1.08 H new ATOM 0 HB3 ARG A 88 8.458 5.709 4.361 1.00 1.08 H new ATOM 0 HG2 ARG A 88 9.936 4.530 2.456 1.00 1.51 H new ATOM 0 HG3 ARG A 88 8.361 3.998 1.902 1.00 1.51 H new ATOM 0 HD2 ARG A 88 9.464 6.358 1.183 1.00 1.54 H new ATOM 0 HD3 ARG A 88 7.734 6.085 1.241 1.00 1.54 H new ATOM 0 HE ARG A 88 8.716 6.976 3.820 1.00 1.87 H new ATOM 0 HH11 ARG A 88 7.954 8.067 0.546 1.00 2.14 H new ATOM 0 HH12 ARG A 88 7.558 9.712 1.056 1.00 2.14 H new ATOM 0 HH21 ARG A 88 8.224 9.094 4.475 1.00 3.01 H new ATOM 0 HH22 ARG A 88 7.711 10.293 3.283 1.00 3.01 H new ATOM 1299 N SER A 89 11.445 3.145 4.213 1.00 1.73 N ATOM 1300 CA SER A 89 12.897 3.268 4.095 1.00 2.12 C ATOM 1301 C SER A 89 13.587 3.182 5.459 1.00 2.14 C ATOM 1302 O SER A 89 14.436 2.320 5.678 1.00 2.69 O ATOM 1303 CB SER A 89 13.271 4.556 3.361 1.00 2.71 C ATOM 1304 OG SER A 89 12.428 4.754 2.234 1.00 3.17 O ATOM 0 H SER A 89 11.082 2.276 3.820 1.00 1.73 H new ATOM 0 HA SER A 89 13.255 2.425 3.505 1.00 2.12 H new ATOM 0 HB2 SER A 89 13.185 5.405 4.039 1.00 2.71 H new ATOM 0 HB3 SER A 89 14.311 4.508 3.039 1.00 2.71 H new ATOM 0 HG SER A 89 12.681 5.584 1.778 1.00 3.17 H new ATOM 1310 N SER A 90 13.200 4.061 6.368 1.00 2.07 N ATOM 1311 CA SER A 90 13.758 4.083 7.707 1.00 2.75 C ATOM 1312 C SER A 90 12.683 4.493 8.708 1.00 3.15 C ATOM 1313 O SER A 90 12.390 3.763 9.662 1.00 3.96 O ATOM 1314 CB SER A 90 14.941 5.053 7.778 1.00 3.34 C ATOM 1315 OG SER A 90 15.411 5.381 6.477 1.00 3.54 O ATOM 0 H SER A 90 12.493 4.776 6.198 1.00 2.07 H new ATOM 0 HA SER A 90 14.115 3.084 7.955 1.00 2.75 H new ATOM 0 HB2 SER A 90 14.640 5.962 8.299 1.00 3.34 H new ATOM 0 HB3 SER A 90 15.748 4.606 8.358 1.00 3.34 H new ATOM 0 HG SER A 90 16.165 6.003 6.549 1.00 3.54 H new ATOM 1321 N GLU A 91 12.092 5.661 8.468 1.00 3.20 N ATOM 1322 CA GLU A 91 11.040 6.201 9.315 1.00 4.20 C ATOM 1323 C GLU A 91 10.496 7.485 8.692 1.00 4.96 C ATOM 1324 O GLU A 91 9.301 7.534 8.356 1.00 5.32 O ATOM 1325 CB GLU A 91 11.574 6.493 10.719 1.00 4.72 C ATOM 1326 CG GLU A 91 10.485 6.807 11.728 1.00 5.09 C ATOM 1327 CD GLU A 91 10.966 7.706 12.846 1.00 5.88 C ATOM 1328 OE1 GLU A 91 12.196 7.811 13.045 1.00 6.23 O ATOM 1329 OE2 GLU A 91 10.119 8.319 13.540 1.00 6.44 O ATOM 1330 OXT GLU A 91 11.287 8.439 8.521 1.00 5.59 O ATOM 0 H GLU A 91 12.332 6.259 7.677 1.00 3.20 H new ATOM 0 HA GLU A 91 10.241 5.464 9.396 1.00 4.20 H new ATOM 0 HB2 GLU A 91 12.145 5.632 11.068 1.00 4.72 H new ATOM 0 HB3 GLU A 91 12.265 7.334 10.668 1.00 4.72 H new ATOM 0 HG2 GLU A 91 9.649 7.285 11.217 1.00 5.09 H new ATOM 0 HG3 GLU A 91 10.109 5.876 12.152 1.00 5.09 H new TER 1337 GLU A 91