USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1077 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 10 ASN : amide:sc= -0.782 K(o=-1.4,f=-5.5!) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.656 X(o=-1.4,f=-1.4) USER MOD Single : A 3 THR OG1 : rot 143:sc= 0.00553 USER MOD Single : A 9 SER OG : rot -140:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 20:sc= -0.704 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 80:sc= -0.449 USER MOD Single : A 34 THR OG1 : rot 151:sc= 0.309 USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= 0.349 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0.133 (180deg=0.131) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -109:sc= 0.328 (180deg=-0.0787) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.648 K(o=-0.65,f=-0.022) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -135:sc= 0.354 USER MOD Single : A 74 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -130:sc= 0.299 (180deg=-5.63!) USER MOD Single : A 87 GLN : amide:sc= 0.29 K(o=0.29,f=-0.64) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0.249 X(o=0.25,f=-0.055) USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= -0.866 (180deg=-1.76!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 43:sc= -0.0827 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -172:sc= 0.275 (180deg=-0.0208) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.131 -13.024 -0.411 1.00 0.04 N ATOM 21 CA GLY A 2 -0.064 -12.045 -0.173 1.00 63.13 C ATOM 22 C GLY A 2 -0.324 -10.749 -0.928 1.00 42.13 C ATOM 23 O GLY A 2 0.451 -10.362 -1.818 1.00 71.42 O ATOM 0 HA2 GLY A 2 0.011 -11.838 0.894 1.00 63.13 H new ATOM 0 HA3 GLY A 2 0.893 -12.464 -0.484 1.00 63.13 H new ATOM 27 N THR A 3 -1.448 -10.098 -0.583 1.00 33.20 N ATOM 28 CA THR A 3 -1.883 -8.850 -1.213 1.00 14.12 C ATOM 29 C THR A 3 -1.229 -7.666 -0.482 1.00 43.12 C ATOM 30 O THR A 3 -1.619 -7.319 0.633 1.00 4.20 O ATOM 31 CB THR A 3 -3.448 -8.722 -1.177 1.00 62.33 C ATOM 32 OG1 THR A 3 -4.049 -9.974 -1.556 1.00 42.34 O ATOM 33 CG2 THR A 3 -3.964 -7.616 -2.115 1.00 33.43 C ATOM 0 H THR A 3 -2.081 -10.429 0.146 1.00 33.20 H new ATOM 0 HA THR A 3 -1.575 -8.849 -2.258 1.00 14.12 H new ATOM 0 HB THR A 3 -3.726 -8.457 -0.157 1.00 62.33 H new ATOM 0 HG1 THR A 3 -4.857 -10.124 -1.023 1.00 42.34 H new ATOM 0 HG21 THR A 3 -5.051 -7.566 -2.055 1.00 33.43 H new ATOM 0 HG22 THR A 3 -3.540 -6.658 -1.815 1.00 33.43 H new ATOM 0 HG23 THR A 3 -3.667 -7.840 -3.140 1.00 33.43 H new ATOM 41 N VAL A 4 -0.218 -7.065 -1.109 1.00 51.31 N ATOM 42 CA VAL A 4 0.539 -5.966 -0.512 1.00 43.51 C ATOM 43 C VAL A 4 -0.127 -4.691 -1.013 1.00 20.51 C ATOM 44 O VAL A 4 -0.076 -4.403 -2.205 1.00 4.03 O ATOM 45 CB VAL A 4 2.062 -6.011 -0.937 1.00 11.40 C ATOM 46 CG1 VAL A 4 2.898 -4.947 -0.174 1.00 73.25 C ATOM 47 CG2 VAL A 4 2.649 -7.433 -0.737 1.00 64.24 C ATOM 0 H VAL A 4 0.098 -7.326 -2.043 1.00 51.31 H new ATOM 0 HA VAL A 4 0.531 -6.028 0.576 1.00 43.51 H new ATOM 0 HB VAL A 4 2.117 -5.768 -1.998 1.00 11.40 H new ATOM 0 HG11 VAL A 4 3.939 -5.007 -0.491 1.00 73.25 H new ATOM 0 HG12 VAL A 4 2.508 -3.953 -0.393 1.00 73.25 H new ATOM 0 HG13 VAL A 4 2.834 -5.134 0.898 1.00 73.25 H new ATOM 0 HG21 VAL A 4 3.697 -7.439 -1.036 1.00 64.24 H new ATOM 0 HG22 VAL A 4 2.569 -7.715 0.313 1.00 64.24 H new ATOM 0 HG23 VAL A 4 2.093 -8.145 -1.347 1.00 64.24 H new ATOM 57 N VAL A 5 -0.772 -3.953 -0.105 1.00 24.12 N ATOM 58 CA VAL A 5 -1.594 -2.785 -0.450 1.00 54.45 C ATOM 59 C VAL A 5 -1.008 -1.531 0.215 1.00 1.43 C ATOM 60 O VAL A 5 -1.011 -1.389 1.431 1.00 32.15 O ATOM 61 CB VAL A 5 -3.117 -3.028 -0.094 1.00 41.33 C ATOM 62 CG1 VAL A 5 -3.718 -4.097 -1.033 1.00 72.31 C ATOM 63 CG2 VAL A 5 -3.324 -3.454 1.377 1.00 2.41 C ATOM 0 H VAL A 5 -0.740 -4.148 0.896 1.00 24.12 H new ATOM 0 HA VAL A 5 -1.568 -2.626 -1.528 1.00 54.45 H new ATOM 0 HB VAL A 5 -3.630 -2.076 -0.233 1.00 41.33 H new ATOM 0 HG11 VAL A 5 -4.766 -4.256 -0.779 1.00 72.31 H new ATOM 0 HG12 VAL A 5 -3.642 -3.758 -2.066 1.00 72.31 H new ATOM 0 HG13 VAL A 5 -3.170 -5.032 -0.917 1.00 72.31 H new ATOM 0 HG21 VAL A 5 -4.387 -3.607 1.565 1.00 2.41 H new ATOM 0 HG22 VAL A 5 -2.785 -4.382 1.566 1.00 2.41 H new ATOM 0 HG23 VAL A 5 -2.947 -2.674 2.038 1.00 2.41 H new ATOM 73 N ILE A 6 -0.476 -0.619 -0.607 1.00 21.40 N ATOM 74 CA ILE A 6 0.343 0.504 -0.131 1.00 35.13 C ATOM 75 C ILE A 6 -0.493 1.787 -0.198 1.00 3.14 C ATOM 76 O ILE A 6 -0.755 2.302 -1.288 1.00 30.01 O ATOM 77 CB ILE A 6 1.684 0.687 -0.956 1.00 41.44 C ATOM 78 CG1 ILE A 6 2.579 -0.616 -0.962 1.00 12.44 C ATOM 79 CG2 ILE A 6 2.497 1.894 -0.409 1.00 0.22 C ATOM 80 CD1 ILE A 6 2.133 -1.729 -1.907 1.00 5.40 C ATOM 0 H ILE A 6 -0.600 -0.638 -1.619 1.00 21.40 H new ATOM 0 HA ILE A 6 0.640 0.287 0.895 1.00 35.13 H new ATOM 0 HB ILE A 6 1.395 0.881 -1.989 1.00 41.44 H new ATOM 0 HG12 ILE A 6 3.598 -0.332 -1.223 1.00 12.44 H new ATOM 0 HG13 ILE A 6 2.609 -1.017 0.051 1.00 12.44 H new ATOM 0 HG21 ILE A 6 3.415 2.006 -0.986 1.00 0.22 H new ATOM 0 HG22 ILE A 6 1.901 2.803 -0.495 1.00 0.22 H new ATOM 0 HG23 ILE A 6 2.746 1.721 0.638 1.00 0.22 H new ATOM 0 HD11 ILE A 6 2.820 -2.571 -1.827 1.00 5.40 H new ATOM 0 HD12 ILE A 6 1.128 -2.054 -1.638 1.00 5.40 H new ATOM 0 HD13 ILE A 6 2.132 -1.358 -2.932 1.00 5.40 H new ATOM 92 N VAL A 7 -0.912 2.284 0.978 1.00 21.01 N ATOM 93 CA VAL A 7 -1.725 3.500 1.101 1.00 53.14 C ATOM 94 C VAL A 7 -0.800 4.713 1.184 1.00 44.03 C ATOM 95 O VAL A 7 -0.097 4.901 2.182 1.00 22.53 O ATOM 96 CB VAL A 7 -2.654 3.455 2.365 1.00 64.21 C ATOM 97 CG1 VAL A 7 -3.560 4.715 2.461 1.00 13.42 C ATOM 98 CG2 VAL A 7 -3.492 2.169 2.366 1.00 4.01 C ATOM 0 H VAL A 7 -0.693 1.849 1.874 1.00 21.01 H new ATOM 0 HA VAL A 7 -2.367 3.571 0.223 1.00 53.14 H new ATOM 0 HB VAL A 7 -2.016 3.454 3.249 1.00 64.21 H new ATOM 0 HG11 VAL A 7 -4.188 4.645 3.349 1.00 13.42 H new ATOM 0 HG12 VAL A 7 -2.937 5.607 2.526 1.00 13.42 H new ATOM 0 HG13 VAL A 7 -4.191 4.777 1.575 1.00 13.42 H new ATOM 0 HG21 VAL A 7 -4.131 2.152 3.249 1.00 4.01 H new ATOM 0 HG22 VAL A 7 -4.111 2.137 1.469 1.00 4.01 H new ATOM 0 HG23 VAL A 7 -2.830 1.303 2.381 1.00 4.01 H new ATOM 108 N VAL A 8 -0.777 5.510 0.108 1.00 72.51 N ATOM 109 CA VAL A 8 0.005 6.753 0.053 1.00 2.41 C ATOM 110 C VAL A 8 -0.947 7.965 -0.005 1.00 20.44 C ATOM 111 O VAL A 8 -2.067 7.859 -0.508 1.00 62.01 O ATOM 112 CB VAL A 8 0.996 6.793 -1.178 1.00 35.52 C ATOM 113 CG1 VAL A 8 1.973 7.988 -1.077 1.00 71.14 C ATOM 114 CG2 VAL A 8 1.761 5.457 -1.341 1.00 13.23 C ATOM 0 H VAL A 8 -1.298 5.313 -0.746 1.00 72.51 H new ATOM 0 HA VAL A 8 0.612 6.793 0.958 1.00 2.41 H new ATOM 0 HB VAL A 8 0.391 6.933 -2.074 1.00 35.52 H new ATOM 0 HG11 VAL A 8 2.640 7.986 -1.939 1.00 71.14 H new ATOM 0 HG12 VAL A 8 1.408 8.920 -1.058 1.00 71.14 H new ATOM 0 HG13 VAL A 8 2.560 7.901 -0.163 1.00 71.14 H new ATOM 0 HG21 VAL A 8 2.432 5.524 -2.197 1.00 13.23 H new ATOM 0 HG22 VAL A 8 2.341 5.258 -0.440 1.00 13.23 H new ATOM 0 HG23 VAL A 8 1.049 4.647 -1.500 1.00 13.23 H new ATOM 124 N SER A 9 -0.501 9.088 0.562 1.00 4.15 N ATOM 125 CA SER A 9 -1.176 10.387 0.447 1.00 11.23 C ATOM 126 C SER A 9 -0.162 11.495 0.751 1.00 10.10 C ATOM 127 O SER A 9 0.805 11.266 1.476 1.00 75.15 O ATOM 128 CB SER A 9 -2.382 10.482 1.421 1.00 41.24 C ATOM 129 OG SER A 9 -3.082 11.714 1.269 1.00 24.23 O ATOM 0 H SER A 9 0.351 9.123 1.122 1.00 4.15 H new ATOM 0 HA SER A 9 -1.563 10.500 -0.566 1.00 11.23 H new ATOM 0 HB2 SER A 9 -3.063 9.651 1.240 1.00 41.24 H new ATOM 0 HB3 SER A 9 -2.030 10.387 2.448 1.00 41.24 H new ATOM 0 HG SER A 9 -3.347 12.050 2.150 1.00 24.23 H new ATOM 135 N ASN A 10 -0.389 12.693 0.195 1.00 55.54 N ATOM 136 CA ASN A 10 0.448 13.889 0.470 1.00 62.33 C ATOM 137 C ASN A 10 0.241 14.433 1.901 1.00 75.34 C ATOM 138 O ASN A 10 1.003 15.290 2.357 1.00 62.24 O ATOM 139 CB ASN A 10 0.167 15.001 -0.578 1.00 3.21 C ATOM 140 CG ASN A 10 -1.317 15.355 -0.711 1.00 21.23 C ATOM 141 OD1 ASN A 10 -2.035 14.749 -1.509 1.00 44.43 O ATOM 142 ND2 ASN A 10 -1.791 16.340 0.047 1.00 13.13 N ATOM 0 H ASN A 10 -1.153 12.869 -0.457 1.00 55.54 H new ATOM 0 HA ASN A 10 1.490 13.577 0.391 1.00 62.33 H new ATOM 0 HB2 ASN A 10 0.723 15.897 -0.303 1.00 3.21 H new ATOM 0 HB3 ASN A 10 0.544 14.678 -1.549 1.00 3.21 H new ATOM 0 HD21 ASN A 10 -2.772 16.611 -0.024 1.00 13.13 H new ATOM 0 HD22 ASN A 10 -1.174 16.824 0.699 1.00 13.13 H new ATOM 149 N ASP A 11 -0.795 13.928 2.599 1.00 3.20 N ATOM 150 CA ASP A 11 -1.138 14.349 3.971 1.00 52.42 C ATOM 151 C ASP A 11 -0.955 13.182 4.962 1.00 11.11 C ATOM 152 O ASP A 11 -1.023 12.008 4.575 1.00 51.23 O ATOM 153 CB ASP A 11 -2.596 14.890 4.013 1.00 30.02 C ATOM 154 CG ASP A 11 -2.988 15.458 5.395 1.00 53.12 C ATOM 155 OD1 ASP A 11 -2.487 16.540 5.756 1.00 23.24 O ATOM 156 OD2 ASP A 11 -3.770 14.814 6.131 1.00 73.23 O ATOM 0 H ASP A 11 -1.420 13.214 2.225 1.00 3.20 H new ATOM 0 HA ASP A 11 -0.462 15.150 4.271 1.00 52.42 H new ATOM 0 HB2 ASP A 11 -2.710 15.670 3.260 1.00 30.02 H new ATOM 0 HB3 ASP A 11 -3.284 14.087 3.748 1.00 30.02 H new ATOM 161 N GLU A 12 -0.743 13.543 6.241 1.00 54.41 N ATOM 162 CA GLU A 12 -0.462 12.600 7.334 1.00 64.22 C ATOM 163 C GLU A 12 -1.767 12.049 7.921 1.00 65.31 C ATOM 164 O GLU A 12 -1.917 10.840 8.093 1.00 20.44 O ATOM 165 CB GLU A 12 0.350 13.307 8.455 1.00 54.35 C ATOM 166 CG GLU A 12 1.571 14.098 7.954 1.00 3.12 C ATOM 167 CD GLU A 12 2.383 14.747 9.083 1.00 72.42 C ATOM 168 OE1 GLU A 12 1.813 15.565 9.833 1.00 73.41 O ATOM 169 OE2 GLU A 12 3.584 14.444 9.237 1.00 13.50 O ATOM 0 H GLU A 12 -0.763 14.516 6.547 1.00 54.41 H new ATOM 0 HA GLU A 12 0.121 11.773 6.929 1.00 64.22 H new ATOM 0 HB2 GLU A 12 -0.312 13.986 8.993 1.00 54.35 H new ATOM 0 HB3 GLU A 12 0.687 12.557 9.171 1.00 54.35 H new ATOM 0 HG2 GLU A 12 2.220 13.430 7.388 1.00 3.12 H new ATOM 0 HG3 GLU A 12 1.235 14.874 7.266 1.00 3.12 H new ATOM 176 N ARG A 13 -2.709 12.962 8.230 1.00 34.44 N ATOM 177 CA ARG A 13 -3.958 12.622 8.932 1.00 35.11 C ATOM 178 C ARG A 13 -4.924 11.821 8.049 1.00 1.21 C ATOM 179 O ARG A 13 -5.794 11.131 8.571 1.00 43.35 O ATOM 180 CB ARG A 13 -4.636 13.878 9.524 1.00 53.44 C ATOM 181 CG ARG A 13 -3.787 14.588 10.609 1.00 15.23 C ATOM 182 CD ARG A 13 -4.563 15.682 11.365 1.00 60.01 C ATOM 183 NE ARG A 13 -5.057 16.731 10.465 1.00 30.51 N ATOM 184 CZ ARG A 13 -5.882 17.729 10.808 1.00 74.04 C ATOM 185 NH1 ARG A 13 -6.352 17.844 12.048 1.00 14.13 N ATOM 186 NH2 ARG A 13 -6.267 18.594 9.884 1.00 21.33 N ATOM 0 H ARG A 13 -2.624 13.952 8.000 1.00 34.44 H new ATOM 0 HA ARG A 13 -3.684 11.973 9.764 1.00 35.11 H new ATOM 0 HB2 ARG A 13 -4.844 14.582 8.718 1.00 53.44 H new ATOM 0 HB3 ARG A 13 -5.596 13.594 9.954 1.00 53.44 H new ATOM 0 HG2 ARG A 13 -3.428 13.847 11.323 1.00 15.23 H new ATOM 0 HG3 ARG A 13 -2.908 15.032 10.141 1.00 15.23 H new ATOM 0 HD2 ARG A 13 -5.404 15.231 11.891 1.00 60.01 H new ATOM 0 HD3 ARG A 13 -3.916 16.128 12.121 1.00 60.01 H new ATOM 0 HE ARG A 13 -4.745 16.697 9.494 1.00 30.51 H new ATOM 0 HH11 ARG A 13 -6.085 17.164 12.760 1.00 14.13 H new ATOM 0 HH12 ARG A 13 -6.979 18.612 12.287 1.00 14.13 H new ATOM 0 HH21 ARG A 13 -5.936 18.496 8.924 1.00 21.33 H new ATOM 0 HH22 ARG A 13 -6.895 19.359 10.131 1.00 21.33 H new ATOM 200 N ILE A 14 -4.795 11.957 6.714 1.00 23.31 N ATOM 201 CA ILE A 14 -5.500 11.085 5.758 1.00 44.10 C ATOM 202 C ILE A 14 -5.020 9.624 5.943 1.00 2.42 C ATOM 203 O ILE A 14 -5.826 8.701 5.961 1.00 41.25 O ATOM 204 CB ILE A 14 -5.297 11.563 4.266 1.00 35.42 C ATOM 205 CG1 ILE A 14 -5.893 13.000 4.051 1.00 33.43 C ATOM 206 CG2 ILE A 14 -5.901 10.557 3.250 1.00 20.05 C ATOM 207 CD1 ILE A 14 -7.391 13.139 4.325 1.00 35.12 C ATOM 0 H ILE A 14 -4.207 12.665 6.274 1.00 23.31 H new ATOM 0 HA ILE A 14 -6.569 11.142 5.963 1.00 44.10 H new ATOM 0 HB ILE A 14 -4.223 11.606 4.083 1.00 35.42 H new ATOM 0 HG12 ILE A 14 -5.357 13.697 4.696 1.00 33.43 H new ATOM 0 HG13 ILE A 14 -5.700 13.304 3.022 1.00 33.43 H new ATOM 0 HG21 ILE A 14 -5.740 10.923 2.236 1.00 20.05 H new ATOM 0 HG22 ILE A 14 -5.417 9.587 3.367 1.00 20.05 H new ATOM 0 HG23 ILE A 14 -6.971 10.453 3.433 1.00 20.05 H new ATOM 0 HD11 ILE A 14 -7.699 14.169 4.147 1.00 35.12 H new ATOM 0 HD12 ILE A 14 -7.945 12.474 3.662 1.00 35.12 H new ATOM 0 HD13 ILE A 14 -7.598 12.873 5.362 1.00 35.12 H new ATOM 219 N LEU A 15 -3.699 9.440 6.128 1.00 45.41 N ATOM 220 CA LEU A 15 -3.098 8.114 6.393 1.00 62.00 C ATOM 221 C LEU A 15 -3.518 7.576 7.780 1.00 65.42 C ATOM 222 O LEU A 15 -3.676 6.371 7.960 1.00 60.50 O ATOM 223 CB LEU A 15 -1.551 8.194 6.298 1.00 50.11 C ATOM 224 CG LEU A 15 -0.983 8.548 4.889 1.00 12.14 C ATOM 225 CD1 LEU A 15 0.549 8.689 4.929 1.00 1.52 C ATOM 226 CD2 LEU A 15 -1.424 7.509 3.834 1.00 61.11 C ATOM 0 H LEU A 15 -3.020 10.200 6.099 1.00 45.41 H new ATOM 0 HA LEU A 15 -3.466 7.422 5.635 1.00 62.00 H new ATOM 0 HB2 LEU A 15 -1.199 8.940 7.011 1.00 50.11 H new ATOM 0 HB3 LEU A 15 -1.135 7.235 6.608 1.00 50.11 H new ATOM 0 HG LEU A 15 -1.396 9.513 4.595 1.00 12.14 H new ATOM 0 HD11 LEU A 15 0.918 8.936 3.933 1.00 1.52 H new ATOM 0 HD12 LEU A 15 0.823 9.482 5.625 1.00 1.52 H new ATOM 0 HD13 LEU A 15 0.992 7.749 5.257 1.00 1.52 H new ATOM 0 HD21 LEU A 15 -1.014 7.781 2.862 1.00 61.11 H new ATOM 0 HD22 LEU A 15 -1.058 6.523 4.119 1.00 61.11 H new ATOM 0 HD23 LEU A 15 -2.512 7.489 3.776 1.00 61.11 H new ATOM 238 N GLU A 16 -3.687 8.493 8.750 1.00 11.11 N ATOM 239 CA GLU A 16 -4.109 8.155 10.126 1.00 55.21 C ATOM 240 C GLU A 16 -5.586 7.721 10.162 1.00 22.42 C ATOM 241 O GLU A 16 -5.936 6.743 10.828 1.00 4.21 O ATOM 242 CB GLU A 16 -3.856 9.363 11.065 1.00 73.33 C ATOM 243 CG GLU A 16 -2.372 9.728 11.209 1.00 63.51 C ATOM 244 CD GLU A 16 -2.116 11.015 12.010 1.00 20.55 C ATOM 245 OE1 GLU A 16 -2.404 11.038 13.224 1.00 23.20 O ATOM 246 OE2 GLU A 16 -1.614 12.000 11.431 1.00 44.25 O ATOM 0 H GLU A 16 -3.535 9.491 8.604 1.00 11.11 H new ATOM 0 HA GLU A 16 -3.515 7.311 10.477 1.00 55.21 H new ATOM 0 HB2 GLU A 16 -4.399 10.228 10.685 1.00 73.33 H new ATOM 0 HB3 GLU A 16 -4.264 9.138 12.051 1.00 73.33 H new ATOM 0 HG2 GLU A 16 -1.851 8.902 11.693 1.00 63.51 H new ATOM 0 HG3 GLU A 16 -1.938 9.839 10.215 1.00 63.51 H new ATOM 253 N GLU A 17 -6.419 8.452 9.405 1.00 14.01 N ATOM 254 CA GLU A 17 -7.852 8.158 9.233 1.00 23.51 C ATOM 255 C GLU A 17 -8.034 6.778 8.573 1.00 12.25 C ATOM 256 O GLU A 17 -8.720 5.903 9.114 1.00 71.15 O ATOM 257 CB GLU A 17 -8.500 9.295 8.374 1.00 42.53 C ATOM 258 CG GLU A 17 -9.961 9.055 7.926 1.00 43.44 C ATOM 259 CD GLU A 17 -10.920 8.732 9.084 1.00 22.14 C ATOM 260 OE1 GLU A 17 -11.097 9.581 9.983 1.00 64.44 O ATOM 261 OE2 GLU A 17 -11.519 7.638 9.087 1.00 72.41 O ATOM 0 H GLU A 17 -6.113 9.276 8.887 1.00 14.01 H new ATOM 0 HA GLU A 17 -8.349 8.124 10.203 1.00 23.51 H new ATOM 0 HB2 GLU A 17 -8.464 10.222 8.947 1.00 42.53 H new ATOM 0 HB3 GLU A 17 -7.888 9.446 7.485 1.00 42.53 H new ATOM 0 HG2 GLU A 17 -10.322 9.942 7.404 1.00 43.44 H new ATOM 0 HG3 GLU A 17 -9.981 8.234 7.210 1.00 43.44 H new ATOM 268 N LEU A 18 -7.339 6.596 7.442 1.00 44.23 N ATOM 269 CA LEU A 18 -7.385 5.371 6.630 1.00 14.25 C ATOM 270 C LEU A 18 -6.748 4.165 7.366 1.00 51.41 C ATOM 271 O LEU A 18 -7.124 3.019 7.096 1.00 2.31 O ATOM 272 CB LEU A 18 -6.737 5.630 5.225 1.00 34.13 C ATOM 273 CG LEU A 18 -7.700 6.201 4.110 1.00 72.45 C ATOM 274 CD1 LEU A 18 -8.405 7.508 4.535 1.00 61.10 C ATOM 275 CD2 LEU A 18 -6.950 6.381 2.770 1.00 60.41 C ATOM 0 H LEU A 18 -6.718 7.308 7.058 1.00 44.23 H new ATOM 0 HA LEU A 18 -8.429 5.102 6.469 1.00 14.25 H new ATOM 0 HB2 LEU A 18 -5.909 6.327 5.352 1.00 34.13 H new ATOM 0 HB3 LEU A 18 -6.313 4.693 4.865 1.00 34.13 H new ATOM 0 HG LEU A 18 -8.487 5.460 3.969 1.00 72.45 H new ATOM 0 HD11 LEU A 18 -9.053 7.851 3.728 1.00 61.10 H new ATOM 0 HD12 LEU A 18 -9.003 7.325 5.428 1.00 61.10 H new ATOM 0 HD13 LEU A 18 -7.657 8.272 4.750 1.00 61.10 H new ATOM 0 HD21 LEU A 18 -7.635 6.775 2.020 1.00 60.41 H new ATOM 0 HD22 LEU A 18 -6.122 7.077 2.907 1.00 60.41 H new ATOM 0 HD23 LEU A 18 -6.563 5.418 2.438 1.00 60.41 H new ATOM 287 N LEU A 19 -5.786 4.435 8.289 1.00 55.44 N ATOM 288 CA LEU A 19 -5.166 3.392 9.146 1.00 64.34 C ATOM 289 C LEU A 19 -6.239 2.662 9.954 1.00 52.32 C ATOM 290 O LEU A 19 -6.358 1.437 9.904 1.00 4.43 O ATOM 291 CB LEU A 19 -4.139 3.996 10.150 1.00 2.20 C ATOM 292 CG LEU A 19 -3.373 2.948 11.041 1.00 24.03 C ATOM 293 CD1 LEU A 19 -2.217 2.296 10.269 1.00 34.14 C ATOM 294 CD2 LEU A 19 -2.888 3.546 12.372 1.00 54.23 C ATOM 0 H LEU A 19 -5.422 5.373 8.458 1.00 55.44 H new ATOM 0 HA LEU A 19 -4.649 2.704 8.477 1.00 64.34 H new ATOM 0 HB2 LEU A 19 -3.406 4.576 9.590 1.00 2.20 H new ATOM 0 HB3 LEU A 19 -4.663 4.692 10.806 1.00 2.20 H new ATOM 0 HG LEU A 19 -4.093 2.169 11.292 1.00 24.03 H new ATOM 0 HD11 LEU A 19 -1.709 1.578 10.913 1.00 34.14 H new ATOM 0 HD12 LEU A 19 -2.610 1.783 9.391 1.00 34.14 H new ATOM 0 HD13 LEU A 19 -1.511 3.064 9.954 1.00 34.14 H new ATOM 0 HD21 LEU A 19 -2.367 2.780 12.946 1.00 54.23 H new ATOM 0 HD22 LEU A 19 -2.209 4.375 12.172 1.00 54.23 H new ATOM 0 HD23 LEU A 19 -3.744 3.907 12.942 1.00 54.23 H new ATOM 306 N GLU A 20 -7.030 3.468 10.661 1.00 2.23 N ATOM 307 CA GLU A 20 -8.003 3.007 11.651 1.00 63.35 C ATOM 308 C GLU A 20 -9.140 2.220 10.997 1.00 22.51 C ATOM 309 O GLU A 20 -9.695 1.314 11.614 1.00 45.14 O ATOM 310 CB GLU A 20 -8.527 4.227 12.441 1.00 53.14 C ATOM 311 CG GLU A 20 -7.401 5.005 13.142 1.00 54.24 C ATOM 312 CD GLU A 20 -7.896 6.242 13.901 1.00 73.42 C ATOM 313 OE1 GLU A 20 -8.406 6.095 15.035 1.00 63.11 O ATOM 314 OE2 GLU A 20 -7.779 7.365 13.372 1.00 74.24 O ATOM 0 H GLU A 20 -7.012 4.483 10.559 1.00 2.23 H new ATOM 0 HA GLU A 20 -7.517 2.319 12.342 1.00 63.35 H new ATOM 0 HB2 GLU A 20 -9.057 4.895 11.762 1.00 53.14 H new ATOM 0 HB3 GLU A 20 -9.249 3.891 13.185 1.00 53.14 H new ATOM 0 HG2 GLU A 20 -6.890 4.341 13.839 1.00 54.24 H new ATOM 0 HG3 GLU A 20 -6.666 5.314 12.399 1.00 54.24 H new ATOM 321 N VAL A 21 -9.456 2.572 9.739 1.00 51.05 N ATOM 322 CA VAL A 21 -10.454 1.860 8.924 1.00 65.32 C ATOM 323 C VAL A 21 -10.004 0.406 8.669 1.00 32.44 C ATOM 324 O VAL A 21 -10.817 -0.517 8.754 1.00 3.52 O ATOM 325 CB VAL A 21 -10.704 2.593 7.556 1.00 2.02 C ATOM 326 CG1 VAL A 21 -11.805 1.877 6.728 1.00 23.24 C ATOM 327 CG2 VAL A 21 -11.058 4.080 7.799 1.00 42.43 C ATOM 0 H VAL A 21 -9.025 3.361 9.258 1.00 51.05 H new ATOM 0 HA VAL A 21 -11.391 1.851 9.481 1.00 65.32 H new ATOM 0 HB VAL A 21 -9.784 2.554 6.973 1.00 2.02 H new ATOM 0 HG11 VAL A 21 -11.956 2.407 5.788 1.00 23.24 H new ATOM 0 HG12 VAL A 21 -11.496 0.852 6.522 1.00 23.24 H new ATOM 0 HG13 VAL A 21 -12.737 1.868 7.293 1.00 23.24 H new ATOM 0 HG21 VAL A 21 -11.228 4.574 6.843 1.00 42.43 H new ATOM 0 HG22 VAL A 21 -11.961 4.145 8.407 1.00 42.43 H new ATOM 0 HG23 VAL A 21 -10.235 4.570 8.319 1.00 42.43 H new ATOM 337 N VAL A 22 -8.693 0.226 8.392 1.00 4.32 N ATOM 338 CA VAL A 22 -8.091 -1.101 8.155 1.00 14.55 C ATOM 339 C VAL A 22 -8.150 -1.945 9.445 1.00 50.33 C ATOM 340 O VAL A 22 -8.695 -3.049 9.449 1.00 33.45 O ATOM 341 CB VAL A 22 -6.598 -0.982 7.661 1.00 24.13 C ATOM 342 CG1 VAL A 22 -5.952 -2.378 7.497 1.00 4.53 C ATOM 343 CG2 VAL A 22 -6.513 -0.169 6.345 1.00 31.14 C ATOM 0 H VAL A 22 -8.026 0.995 8.327 1.00 4.32 H new ATOM 0 HA VAL A 22 -8.666 -1.592 7.370 1.00 14.55 H new ATOM 0 HB VAL A 22 -6.035 -0.444 8.424 1.00 24.13 H new ATOM 0 HG11 VAL A 22 -4.923 -2.265 7.155 1.00 4.53 H new ATOM 0 HG12 VAL A 22 -5.961 -2.898 8.455 1.00 4.53 H new ATOM 0 HG13 VAL A 22 -6.516 -2.956 6.765 1.00 4.53 H new ATOM 0 HG21 VAL A 22 -5.473 -0.102 6.026 1.00 31.14 H new ATOM 0 HG22 VAL A 22 -7.099 -0.666 5.572 1.00 31.14 H new ATOM 0 HG23 VAL A 22 -6.907 0.834 6.511 1.00 31.14 H new ATOM 353 N LEU A 23 -7.612 -1.370 10.537 1.00 74.04 N ATOM 354 CA LEU A 23 -7.551 -2.021 11.868 1.00 34.24 C ATOM 355 C LEU A 23 -8.951 -2.458 12.347 1.00 43.30 C ATOM 356 O LEU A 23 -9.118 -3.549 12.899 1.00 14.34 O ATOM 357 CB LEU A 23 -6.886 -1.063 12.907 1.00 31.35 C ATOM 358 CG LEU A 23 -5.319 -1.062 12.955 1.00 62.12 C ATOM 359 CD1 LEU A 23 -4.695 -0.703 11.602 1.00 64.54 C ATOM 360 CD2 LEU A 23 -4.804 -0.124 14.061 1.00 1.15 C ATOM 0 H LEU A 23 -7.204 -0.435 10.525 1.00 74.04 H new ATOM 0 HA LEU A 23 -6.940 -2.919 11.777 1.00 34.24 H new ATOM 0 HB2 LEU A 23 -7.222 -0.047 12.698 1.00 31.35 H new ATOM 0 HB3 LEU A 23 -7.257 -1.324 13.898 1.00 31.35 H new ATOM 0 HG LEU A 23 -5.008 -2.080 13.190 1.00 62.12 H new ATOM 0 HD11 LEU A 23 -3.608 -0.716 11.688 1.00 64.54 H new ATOM 0 HD12 LEU A 23 -5.009 -1.430 10.852 1.00 64.54 H new ATOM 0 HD13 LEU A 23 -5.024 0.292 11.302 1.00 64.54 H new ATOM 0 HD21 LEU A 23 -3.714 -0.141 14.074 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -5.149 0.892 13.867 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -5.184 -0.457 15.027 1.00 1.15 H new ATOM 372 N LYS A 24 -9.941 -1.598 12.091 1.00 61.41 N ATOM 373 CA LYS A 24 -11.338 -1.816 12.491 1.00 12.25 C ATOM 374 C LYS A 24 -11.984 -2.928 11.640 1.00 71.30 C ATOM 375 O LYS A 24 -12.676 -3.804 12.174 1.00 42.03 O ATOM 376 CB LYS A 24 -12.120 -0.481 12.344 1.00 61.32 C ATOM 377 CG LYS A 24 -13.622 -0.572 12.666 1.00 55.20 C ATOM 378 CD LYS A 24 -14.339 0.800 12.580 1.00 61.31 C ATOM 379 CE LYS A 24 -15.795 0.729 13.073 1.00 75.02 C ATOM 380 NZ LYS A 24 -16.487 2.038 12.949 1.00 22.31 N ATOM 0 H LYS A 24 -9.795 -0.719 11.594 1.00 61.41 H new ATOM 0 HA LYS A 24 -11.370 -2.140 13.531 1.00 12.25 H new ATOM 0 HB2 LYS A 24 -11.667 0.263 13.000 1.00 61.32 H new ATOM 0 HB3 LYS A 24 -12.003 -0.119 11.323 1.00 61.32 H new ATOM 0 HG2 LYS A 24 -14.096 -1.268 11.974 1.00 55.20 H new ATOM 0 HG3 LYS A 24 -13.750 -0.982 13.668 1.00 55.20 H new ATOM 0 HD2 LYS A 24 -13.792 1.532 13.174 1.00 61.31 H new ATOM 0 HD3 LYS A 24 -14.324 1.152 11.548 1.00 61.31 H new ATOM 0 HE2 LYS A 24 -16.336 -0.023 12.499 1.00 75.02 H new ATOM 0 HE3 LYS A 24 -15.810 0.408 14.114 1.00 75.02 H new ATOM 0 HZ1 LYS A 24 -17.465 1.948 13.291 1.00 22.31 H new ATOM 0 HZ2 LYS A 24 -15.986 2.751 13.517 1.00 22.31 H new ATOM 0 HZ3 LYS A 24 -16.495 2.333 11.952 1.00 22.31 H new ATOM 394 N SER A 25 -11.735 -2.878 10.316 1.00 64.22 N ATOM 395 CA SER A 25 -12.308 -3.828 9.333 1.00 52.50 C ATOM 396 C SER A 25 -11.786 -5.259 9.563 1.00 74.43 C ATOM 397 O SER A 25 -12.518 -6.233 9.345 1.00 63.55 O ATOM 398 CB SER A 25 -11.976 -3.350 7.896 1.00 2.31 C ATOM 399 OG SER A 25 -12.427 -4.255 6.897 1.00 55.51 O ATOM 0 H SER A 25 -11.128 -2.175 9.894 1.00 64.22 H new ATOM 0 HA SER A 25 -13.390 -3.851 9.465 1.00 52.50 H new ATOM 0 HB2 SER A 25 -12.432 -2.374 7.728 1.00 2.31 H new ATOM 0 HB3 SER A 25 -10.898 -3.219 7.801 1.00 2.31 H new ATOM 0 HG SER A 25 -13.124 -4.833 7.270 1.00 55.51 H new ATOM 405 N ASP A 26 -10.530 -5.351 10.022 1.00 71.43 N ATOM 406 CA ASP A 26 -9.858 -6.627 10.316 1.00 12.33 C ATOM 407 C ASP A 26 -8.542 -6.329 11.079 1.00 52.42 C ATOM 408 O ASP A 26 -7.626 -5.726 10.507 1.00 21.04 O ATOM 409 CB ASP A 26 -9.568 -7.434 9.010 1.00 33.01 C ATOM 410 CG ASP A 26 -9.170 -8.902 9.280 1.00 64.20 C ATOM 411 OD1 ASP A 26 -8.052 -9.149 9.768 1.00 34.03 O ATOM 412 OD2 ASP A 26 -9.971 -9.820 8.991 1.00 14.31 O ATOM 0 H ASP A 26 -9.945 -4.535 10.202 1.00 71.43 H new ATOM 0 HA ASP A 26 -10.513 -7.242 10.932 1.00 12.33 H new ATOM 0 HB2 ASP A 26 -10.453 -7.415 8.374 1.00 33.01 H new ATOM 0 HB3 ASP A 26 -8.768 -6.943 8.457 1.00 33.01 H new ATOM 417 N PRO A 27 -8.428 -6.744 12.387 1.00 22.41 N ATOM 418 CA PRO A 27 -7.234 -6.465 13.230 1.00 61.23 C ATOM 419 C PRO A 27 -6.041 -7.417 12.948 1.00 71.31 C ATOM 420 O PRO A 27 -4.945 -7.223 13.489 1.00 34.12 O ATOM 421 CB PRO A 27 -7.780 -6.645 14.689 1.00 35.11 C ATOM 422 CG PRO A 27 -9.263 -6.916 14.547 1.00 34.03 C ATOM 423 CD PRO A 27 -9.448 -7.487 13.163 1.00 24.05 C ATOM 0 HA PRO A 27 -6.821 -5.476 13.033 1.00 61.23 H new ATOM 0 HB2 PRO A 27 -7.279 -7.470 15.194 1.00 35.11 H new ATOM 0 HB3 PRO A 27 -7.602 -5.750 15.286 1.00 35.11 H new ATOM 0 HG2 PRO A 27 -9.607 -7.617 15.308 1.00 34.03 H new ATOM 0 HG3 PRO A 27 -9.841 -6.001 14.672 1.00 34.03 H new ATOM 0 HD2 PRO A 27 -9.276 -8.563 13.139 1.00 24.05 H new ATOM 0 HD3 PRO A 27 -10.455 -7.317 12.782 1.00 24.05 H new ATOM 431 N ASN A 28 -6.267 -8.451 12.114 1.00 43.41 N ATOM 432 CA ASN A 28 -5.230 -9.451 11.763 1.00 31.33 C ATOM 433 C ASN A 28 -4.452 -9.016 10.514 1.00 5.22 C ATOM 434 O ASN A 28 -3.326 -9.480 10.288 1.00 2.43 O ATOM 435 CB ASN A 28 -5.851 -10.866 11.560 1.00 63.41 C ATOM 436 CG ASN A 28 -6.452 -11.460 12.837 1.00 11.21 C ATOM 437 OD1 ASN A 28 -6.088 -11.075 13.949 1.00 11.41 O ATOM 438 ND2 ASN A 28 -7.328 -12.445 12.692 1.00 74.15 N ATOM 0 H ASN A 28 -7.167 -8.619 11.665 1.00 43.41 H new ATOM 0 HA ASN A 28 -4.532 -9.510 12.598 1.00 31.33 H new ATOM 0 HB2 ASN A 28 -6.627 -10.807 10.796 1.00 63.41 H new ATOM 0 HB3 ASN A 28 -5.082 -11.540 11.182 1.00 63.41 H new ATOM 0 HD21 ASN A 28 -7.719 -12.905 13.514 1.00 74.15 H new ATOM 0 HD22 ASN A 28 -7.611 -12.743 11.758 1.00 74.15 H new ATOM 445 N VAL A 29 -5.060 -8.139 9.694 1.00 45.33 N ATOM 446 CA VAL A 29 -4.369 -7.515 8.555 1.00 14.12 C ATOM 447 C VAL A 29 -3.367 -6.469 9.093 1.00 44.24 C ATOM 448 O VAL A 29 -3.767 -5.450 9.670 1.00 42.51 O ATOM 449 CB VAL A 29 -5.380 -6.862 7.549 1.00 32.42 C ATOM 450 CG1 VAL A 29 -4.644 -6.137 6.398 1.00 53.53 C ATOM 451 CG2 VAL A 29 -6.353 -7.925 6.991 1.00 53.41 C ATOM 0 H VAL A 29 -6.031 -7.847 9.801 1.00 45.33 H new ATOM 0 HA VAL A 29 -3.833 -8.285 8.001 1.00 14.12 H new ATOM 0 HB VAL A 29 -5.957 -6.115 8.094 1.00 32.42 H new ATOM 0 HG11 VAL A 29 -5.374 -5.696 5.720 1.00 53.53 H new ATOM 0 HG12 VAL A 29 -4.010 -5.351 6.809 1.00 53.53 H new ATOM 0 HG13 VAL A 29 -4.028 -6.852 5.853 1.00 53.53 H new ATOM 0 HG21 VAL A 29 -7.047 -7.454 6.295 1.00 53.41 H new ATOM 0 HG22 VAL A 29 -5.788 -8.699 6.472 1.00 53.41 H new ATOM 0 HG23 VAL A 29 -6.912 -8.374 7.812 1.00 53.41 H new ATOM 461 N LYS A 30 -2.068 -6.759 8.923 1.00 43.01 N ATOM 462 CA LYS A 30 -0.982 -5.989 9.548 1.00 61.40 C ATOM 463 C LYS A 30 -0.699 -4.699 8.755 1.00 71.44 C ATOM 464 O LYS A 30 -0.411 -4.756 7.564 1.00 51.03 O ATOM 465 CB LYS A 30 0.299 -6.861 9.643 1.00 45.23 C ATOM 466 CG LYS A 30 1.467 -6.205 10.421 1.00 53.40 C ATOM 467 CD LYS A 30 1.110 -5.926 11.903 1.00 42.12 C ATOM 468 CE LYS A 30 2.232 -5.210 12.665 1.00 75.04 C ATOM 469 NZ LYS A 30 1.862 -4.961 14.085 1.00 52.24 N ATOM 0 H LYS A 30 -1.741 -7.535 8.348 1.00 43.01 H new ATOM 0 HA LYS A 30 -1.292 -5.705 10.554 1.00 61.40 H new ATOM 0 HB2 LYS A 30 0.045 -7.806 10.123 1.00 45.23 H new ATOM 0 HB3 LYS A 30 0.638 -7.097 8.634 1.00 45.23 H new ATOM 0 HG2 LYS A 30 2.340 -6.857 10.377 1.00 53.40 H new ATOM 0 HG3 LYS A 30 1.743 -5.269 9.935 1.00 53.40 H new ATOM 0 HD2 LYS A 30 0.205 -5.320 11.945 1.00 42.12 H new ATOM 0 HD3 LYS A 30 0.885 -6.869 12.401 1.00 42.12 H new ATOM 0 HE2 LYS A 30 3.140 -5.812 12.626 1.00 75.04 H new ATOM 0 HE3 LYS A 30 2.457 -4.262 12.176 1.00 75.04 H new ATOM 0 HZ1 LYS A 30 2.645 -4.476 14.568 1.00 52.24 H new ATOM 0 HZ2 LYS A 30 1.010 -4.366 14.122 1.00 52.24 H new ATOM 0 HZ3 LYS A 30 1.672 -5.867 14.558 1.00 52.24 H new ATOM 483 N THR A 31 -0.808 -3.544 9.423 1.00 11.01 N ATOM 484 CA THR A 31 -0.420 -2.244 8.856 1.00 3.13 C ATOM 485 C THR A 31 0.981 -1.868 9.340 1.00 53.10 C ATOM 486 O THR A 31 1.338 -2.151 10.486 1.00 2.14 O ATOM 487 CB THR A 31 -1.426 -1.130 9.262 1.00 71.31 C ATOM 488 OG1 THR A 31 -1.504 -1.022 10.693 1.00 55.13 O ATOM 489 CG2 THR A 31 -2.819 -1.409 8.705 1.00 22.33 C ATOM 0 H THR A 31 -1.169 -3.483 10.375 1.00 11.01 H new ATOM 0 HA THR A 31 -0.426 -2.332 7.770 1.00 3.13 H new ATOM 0 HB THR A 31 -1.062 -0.193 8.842 1.00 71.31 H new ATOM 0 HG1 THR A 31 -0.740 -0.505 11.024 1.00 55.13 H new ATOM 0 HG21 THR A 31 -3.498 -0.612 9.007 1.00 22.33 H new ATOM 0 HG22 THR A 31 -2.773 -1.454 7.617 1.00 22.33 H new ATOM 0 HG23 THR A 31 -3.182 -2.361 9.093 1.00 22.33 H new ATOM 497 N VAL A 32 1.769 -1.251 8.447 1.00 71.04 N ATOM 498 CA VAL A 32 3.153 -0.829 8.718 1.00 50.51 C ATOM 499 C VAL A 32 3.370 0.600 8.179 1.00 34.24 C ATOM 500 O VAL A 32 3.331 0.819 6.966 1.00 64.45 O ATOM 501 CB VAL A 32 4.182 -1.827 8.045 1.00 53.01 C ATOM 502 CG1 VAL A 32 5.640 -1.320 8.146 1.00 72.21 C ATOM 503 CG2 VAL A 32 4.058 -3.252 8.639 1.00 2.34 C ATOM 0 H VAL A 32 1.459 -1.027 7.501 1.00 71.04 H new ATOM 0 HA VAL A 32 3.321 -0.840 9.795 1.00 50.51 H new ATOM 0 HB VAL A 32 3.924 -1.873 6.987 1.00 53.01 H new ATOM 0 HG11 VAL A 32 6.309 -2.038 7.671 1.00 72.21 H new ATOM 0 HG12 VAL A 32 5.726 -0.356 7.644 1.00 72.21 H new ATOM 0 HG13 VAL A 32 5.914 -1.208 9.195 1.00 72.21 H new ATOM 0 HG21 VAL A 32 4.778 -3.912 8.155 1.00 2.34 H new ATOM 0 HG22 VAL A 32 4.259 -3.219 9.710 1.00 2.34 H new ATOM 0 HG23 VAL A 32 3.050 -3.630 8.471 1.00 2.34 H new ATOM 513 N ARG A 33 3.596 1.564 9.094 1.00 63.03 N ATOM 514 CA ARG A 33 3.960 2.949 8.739 1.00 25.23 C ATOM 515 C ARG A 33 5.489 3.102 8.770 1.00 33.52 C ATOM 516 O ARG A 33 6.065 3.257 9.854 1.00 52.41 O ATOM 517 CB ARG A 33 3.368 3.984 9.728 1.00 45.34 C ATOM 518 CG ARG A 33 1.831 4.083 9.806 1.00 62.25 C ATOM 519 CD ARG A 33 1.444 5.274 10.691 1.00 3.03 C ATOM 520 NE ARG A 33 0.002 5.421 10.924 1.00 15.32 N ATOM 521 CZ ARG A 33 -0.548 6.449 11.596 1.00 1.50 C ATOM 522 NH1 ARG A 33 0.210 7.423 12.110 1.00 34.34 N ATOM 523 NH2 ARG A 33 -1.852 6.492 11.774 1.00 2.20 N ATOM 0 H ARG A 33 3.531 1.404 10.099 1.00 63.03 H new ATOM 0 HA ARG A 33 3.555 3.138 7.745 1.00 25.23 H new ATOM 0 HB2 ARG A 33 3.743 3.752 10.725 1.00 45.34 H new ATOM 0 HB3 ARG A 33 3.757 4.967 9.462 1.00 45.34 H new ATOM 0 HG2 ARG A 33 1.412 4.206 8.807 1.00 62.25 H new ATOM 0 HG3 ARG A 33 1.416 3.162 10.215 1.00 62.25 H new ATOM 0 HD2 ARG A 33 1.945 5.172 11.653 1.00 3.03 H new ATOM 0 HD3 ARG A 33 1.819 6.188 10.231 1.00 3.03 H new ATOM 0 HE ARG A 33 -0.620 4.702 10.555 1.00 15.32 H new ATOM 0 HH11 ARG A 33 1.223 7.395 11.996 1.00 34.34 H new ATOM 0 HH12 ARG A 33 -0.225 8.194 12.616 1.00 34.34 H new ATOM 0 HH21 ARG A 33 -2.442 5.747 11.403 1.00 2.20 H new ATOM 0 HH22 ARG A 33 -2.272 7.270 12.283 1.00 2.20 H new ATOM 537 N THR A 34 6.128 3.015 7.607 1.00 75.31 N ATOM 538 CA THR A 34 7.562 3.310 7.459 1.00 22.13 C ATOM 539 C THR A 34 7.960 3.283 5.978 1.00 24.12 C ATOM 540 O THR A 34 7.452 2.463 5.202 1.00 74.14 O ATOM 541 CB THR A 34 8.496 2.346 8.289 1.00 23.32 C ATOM 542 OG1 THR A 34 9.831 2.835 8.251 1.00 3.14 O ATOM 543 CG2 THR A 34 8.480 0.888 7.794 1.00 2.21 C ATOM 0 H THR A 34 5.673 2.739 6.737 1.00 75.31 H new ATOM 0 HA THR A 34 7.711 4.309 7.868 1.00 22.13 H new ATOM 0 HB THR A 34 8.104 2.337 9.306 1.00 23.32 H new ATOM 0 HG1 THR A 34 10.298 2.575 9.072 1.00 3.14 H new ATOM 0 HG21 THR A 34 9.145 0.286 8.413 1.00 2.21 H new ATOM 0 HG22 THR A 34 7.466 0.492 7.860 1.00 2.21 H new ATOM 0 HG23 THR A 34 8.817 0.852 6.758 1.00 2.21 H new ATOM 551 N ASP A 35 8.864 4.202 5.604 1.00 13.35 N ATOM 552 CA ASP A 35 9.494 4.215 4.275 1.00 31.32 C ATOM 553 C ASP A 35 10.800 3.410 4.308 1.00 60.23 C ATOM 554 O ASP A 35 11.453 3.277 3.276 1.00 55.31 O ATOM 555 CB ASP A 35 9.753 5.668 3.781 1.00 0.44 C ATOM 556 CG ASP A 35 10.787 6.438 4.630 1.00 23.34 C ATOM 557 OD1 ASP A 35 10.395 7.047 5.642 1.00 15.40 O ATOM 558 OD2 ASP A 35 11.990 6.440 4.285 1.00 3.02 O ATOM 0 H ASP A 35 9.178 4.956 6.214 1.00 13.35 H new ATOM 0 HA ASP A 35 8.808 3.749 3.568 1.00 31.32 H new ATOM 0 HB2 ASP A 35 10.097 5.635 2.747 1.00 0.44 H new ATOM 0 HB3 ASP A 35 8.811 6.217 3.786 1.00 0.44 H new ATOM 563 N ASP A 36 11.185 2.878 5.505 1.00 30.24 N ATOM 564 CA ASP A 36 12.356 1.988 5.642 1.00 43.41 C ATOM 565 C ASP A 36 12.090 0.692 4.863 1.00 5.23 C ATOM 566 O ASP A 36 11.567 -0.272 5.409 1.00 4.33 O ATOM 567 CB ASP A 36 12.680 1.666 7.132 1.00 33.02 C ATOM 568 CG ASP A 36 13.231 2.869 7.926 1.00 14.12 C ATOM 569 OD1 ASP A 36 14.457 3.099 7.909 1.00 21.43 O ATOM 570 OD2 ASP A 36 12.454 3.588 8.577 1.00 22.32 O ATOM 0 H ASP A 36 10.696 3.056 6.382 1.00 30.24 H new ATOM 0 HA ASP A 36 13.226 2.502 5.234 1.00 43.41 H new ATOM 0 HB2 ASP A 36 11.775 1.305 7.620 1.00 33.02 H new ATOM 0 HB3 ASP A 36 13.408 0.855 7.168 1.00 33.02 H new ATOM 575 N LYS A 37 12.410 0.734 3.565 1.00 42.03 N ATOM 576 CA LYS A 37 12.178 -0.360 2.595 1.00 1.42 C ATOM 577 C LYS A 37 12.780 -1.698 3.053 1.00 10.05 C ATOM 578 O LYS A 37 12.138 -2.738 2.917 1.00 2.31 O ATOM 579 CB LYS A 37 12.725 0.058 1.200 1.00 55.53 C ATOM 580 CG LYS A 37 14.075 0.835 1.241 1.00 12.34 C ATOM 581 CD LYS A 37 14.548 1.284 -0.161 1.00 74.42 C ATOM 582 CE LYS A 37 15.499 2.487 -0.117 1.00 24.41 C ATOM 583 NZ LYS A 37 15.929 2.889 -1.474 1.00 72.04 N ATOM 0 H LYS A 37 12.851 1.550 3.141 1.00 42.03 H new ATOM 0 HA LYS A 37 11.103 -0.524 2.528 1.00 1.42 H new ATOM 0 HB2 LYS A 37 12.854 -0.837 0.591 1.00 55.53 H new ATOM 0 HB3 LYS A 37 11.979 0.677 0.702 1.00 55.53 H new ATOM 0 HG2 LYS A 37 13.966 1.711 1.881 1.00 12.34 H new ATOM 0 HG3 LYS A 37 14.840 0.203 1.693 1.00 12.34 H new ATOM 0 HD2 LYS A 37 15.048 0.450 -0.654 1.00 74.42 H new ATOM 0 HD3 LYS A 37 13.679 1.537 -0.768 1.00 74.42 H new ATOM 0 HE2 LYS A 37 15.004 3.326 0.372 1.00 24.41 H new ATOM 0 HE3 LYS A 37 16.374 2.239 0.484 1.00 24.41 H new ATOM 0 HZ1 LYS A 37 16.948 3.096 -1.468 1.00 72.04 H new ATOM 0 HZ2 LYS A 37 15.737 2.116 -2.142 1.00 72.04 H new ATOM 0 HZ3 LYS A 37 15.405 3.738 -1.767 1.00 72.04 H new ATOM 597 N GLU A 38 13.992 -1.638 3.631 1.00 53.35 N ATOM 598 CA GLU A 38 14.690 -2.811 4.188 1.00 72.11 C ATOM 599 C GLU A 38 13.837 -3.498 5.278 1.00 15.23 C ATOM 600 O GLU A 38 13.848 -4.723 5.394 1.00 54.33 O ATOM 601 CB GLU A 38 16.087 -2.427 4.765 1.00 60.21 C ATOM 602 CG GLU A 38 16.099 -1.300 5.849 1.00 63.10 C ATOM 603 CD GLU A 38 16.338 0.120 5.286 1.00 42.05 C ATOM 604 OE1 GLU A 38 15.400 0.736 4.746 1.00 4.33 O ATOM 605 OE2 GLU A 38 17.475 0.625 5.379 1.00 44.31 O ATOM 0 H GLU A 38 14.518 -0.770 3.726 1.00 53.35 H new ATOM 0 HA GLU A 38 14.842 -3.513 3.368 1.00 72.11 H new ATOM 0 HB2 GLU A 38 16.538 -3.321 5.195 1.00 60.21 H new ATOM 0 HB3 GLU A 38 16.725 -2.114 3.938 1.00 60.21 H new ATOM 0 HG2 GLU A 38 15.147 -1.312 6.380 1.00 63.10 H new ATOM 0 HG3 GLU A 38 16.875 -1.524 6.581 1.00 63.10 H new ATOM 612 N LYS A 39 13.093 -2.686 6.053 1.00 53.23 N ATOM 613 CA LYS A 39 12.201 -3.181 7.108 1.00 0.52 C ATOM 614 C LYS A 39 10.911 -3.737 6.485 1.00 15.34 C ATOM 615 O LYS A 39 10.492 -4.845 6.821 1.00 35.24 O ATOM 616 CB LYS A 39 11.870 -2.048 8.120 1.00 3.42 C ATOM 617 CG LYS A 39 11.145 -2.529 9.401 1.00 12.31 C ATOM 618 CD LYS A 39 10.640 -1.367 10.291 1.00 54.51 C ATOM 619 CE LYS A 39 10.213 -1.843 11.695 1.00 62.52 C ATOM 620 NZ LYS A 39 9.297 -3.012 11.654 1.00 72.13 N ATOM 0 H LYS A 39 13.096 -1.670 5.962 1.00 53.23 H new ATOM 0 HA LYS A 39 12.707 -3.982 7.647 1.00 0.52 H new ATOM 0 HB2 LYS A 39 12.797 -1.550 8.406 1.00 3.42 H new ATOM 0 HB3 LYS A 39 11.249 -1.303 7.623 1.00 3.42 H new ATOM 0 HG2 LYS A 39 10.299 -3.155 9.118 1.00 12.31 H new ATOM 0 HG3 LYS A 39 11.824 -3.154 9.982 1.00 12.31 H new ATOM 0 HD2 LYS A 39 11.427 -0.619 10.388 1.00 54.51 H new ATOM 0 HD3 LYS A 39 9.796 -0.880 9.803 1.00 54.51 H new ATOM 0 HE2 LYS A 39 11.101 -2.103 12.271 1.00 62.52 H new ATOM 0 HE3 LYS A 39 9.723 -1.022 12.218 1.00 62.52 H new ATOM 0 HZ1 LYS A 39 9.057 -3.299 12.624 1.00 72.13 H new ATOM 0 HZ2 LYS A 39 8.428 -2.754 11.144 1.00 72.13 H new ATOM 0 HZ3 LYS A 39 9.764 -3.802 11.165 1.00 72.13 H new ATOM 634 N VAL A 40 10.325 -2.955 5.543 1.00 72.21 N ATOM 635 CA VAL A 40 9.030 -3.269 4.883 1.00 1.24 C ATOM 636 C VAL A 40 9.050 -4.662 4.212 1.00 2.43 C ATOM 637 O VAL A 40 8.052 -5.373 4.244 1.00 43.31 O ATOM 638 CB VAL A 40 8.629 -2.167 3.821 1.00 21.52 C ATOM 639 CG1 VAL A 40 7.318 -2.537 3.092 1.00 22.24 C ATOM 640 CG2 VAL A 40 8.501 -0.771 4.478 1.00 62.12 C ATOM 0 H VAL A 40 10.740 -2.082 5.217 1.00 72.21 H new ATOM 0 HA VAL A 40 8.278 -3.277 5.672 1.00 1.24 H new ATOM 0 HB VAL A 40 9.430 -2.126 3.083 1.00 21.52 H new ATOM 0 HG11 VAL A 40 7.071 -1.759 2.370 1.00 22.24 H new ATOM 0 HG12 VAL A 40 7.446 -3.487 2.573 1.00 22.24 H new ATOM 0 HG13 VAL A 40 6.510 -2.627 3.819 1.00 22.24 H new ATOM 0 HG21 VAL A 40 8.225 -0.037 3.721 1.00 62.12 H new ATOM 0 HG22 VAL A 40 7.733 -0.802 5.251 1.00 62.12 H new ATOM 0 HG23 VAL A 40 9.455 -0.490 4.925 1.00 62.12 H new ATOM 650 N LYS A 41 10.204 -5.034 3.639 1.00 42.10 N ATOM 651 CA LYS A 41 10.389 -6.335 2.960 1.00 43.53 C ATOM 652 C LYS A 41 10.223 -7.509 3.943 1.00 64.44 C ATOM 653 O LYS A 41 9.611 -8.531 3.611 1.00 73.24 O ATOM 654 CB LYS A 41 11.781 -6.380 2.290 1.00 10.32 C ATOM 655 CG LYS A 41 11.968 -5.302 1.205 1.00 43.35 C ATOM 656 CD LYS A 41 13.412 -5.262 0.662 1.00 52.54 C ATOM 657 CE LYS A 41 13.612 -4.162 -0.392 1.00 61.13 C ATOM 658 NZ LYS A 41 15.008 -4.145 -0.908 1.00 11.12 N ATOM 0 H LYS A 41 11.037 -4.446 3.631 1.00 42.10 H new ATOM 0 HA LYS A 41 9.619 -6.437 2.195 1.00 43.53 H new ATOM 0 HB2 LYS A 41 12.549 -6.255 3.054 1.00 10.32 H new ATOM 0 HB3 LYS A 41 11.931 -7.364 1.845 1.00 10.32 H new ATOM 0 HG2 LYS A 41 11.278 -5.494 0.383 1.00 43.35 H new ATOM 0 HG3 LYS A 41 11.710 -4.326 1.617 1.00 43.35 H new ATOM 0 HD2 LYS A 41 14.104 -5.099 1.489 1.00 52.54 H new ATOM 0 HD3 LYS A 41 13.660 -6.229 0.225 1.00 52.54 H new ATOM 0 HE2 LYS A 41 12.920 -4.320 -1.219 1.00 61.13 H new ATOM 0 HE3 LYS A 41 13.373 -3.192 0.044 1.00 61.13 H new ATOM 0 HZ1 LYS A 41 15.107 -3.391 -1.617 1.00 11.12 H new ATOM 0 HZ2 LYS A 41 15.666 -3.970 -0.122 1.00 11.12 H new ATOM 0 HZ3 LYS A 41 15.227 -5.062 -1.346 1.00 11.12 H new ATOM 672 N GLU A 42 10.756 -7.320 5.163 1.00 52.33 N ATOM 673 CA GLU A 42 10.679 -8.317 6.243 1.00 71.20 C ATOM 674 C GLU A 42 9.250 -8.355 6.813 1.00 24.11 C ATOM 675 O GLU A 42 8.755 -9.417 7.199 1.00 73.23 O ATOM 676 CB GLU A 42 11.705 -7.976 7.359 1.00 11.25 C ATOM 677 CG GLU A 42 13.123 -7.632 6.844 1.00 73.13 C ATOM 678 CD GLU A 42 13.757 -8.722 5.956 1.00 24.40 C ATOM 679 OE1 GLU A 42 14.377 -9.661 6.497 1.00 31.11 O ATOM 680 OE2 GLU A 42 13.644 -8.637 4.712 1.00 73.11 O ATOM 0 H GLU A 42 11.253 -6.469 5.427 1.00 52.33 H new ATOM 0 HA GLU A 42 10.923 -9.301 5.843 1.00 71.20 H new ATOM 0 HB2 GLU A 42 11.327 -7.132 7.937 1.00 11.25 H new ATOM 0 HB3 GLU A 42 11.776 -8.823 8.041 1.00 11.25 H new ATOM 0 HG2 GLU A 42 13.076 -6.701 6.279 1.00 73.13 H new ATOM 0 HG3 GLU A 42 13.774 -7.453 7.700 1.00 73.13 H new ATOM 687 N GLU A 43 8.602 -7.169 6.837 1.00 34.33 N ATOM 688 CA GLU A 43 7.208 -7.011 7.275 1.00 52.32 C ATOM 689 C GLU A 43 6.261 -7.816 6.368 1.00 54.22 C ATOM 690 O GLU A 43 5.351 -8.502 6.859 1.00 21.13 O ATOM 691 CB GLU A 43 6.803 -5.511 7.284 1.00 55.44 C ATOM 692 CG GLU A 43 7.635 -4.613 8.220 1.00 61.55 C ATOM 693 CD GLU A 43 7.660 -5.095 9.682 1.00 0.25 C ATOM 694 OE1 GLU A 43 6.582 -5.165 10.315 1.00 1.04 O ATOM 695 OE2 GLU A 43 8.755 -5.400 10.211 1.00 12.42 O ATOM 0 H GLU A 43 9.039 -6.293 6.550 1.00 34.33 H new ATOM 0 HA GLU A 43 7.125 -7.397 8.291 1.00 52.32 H new ATOM 0 HB2 GLU A 43 6.883 -5.123 6.268 1.00 55.44 H new ATOM 0 HB3 GLU A 43 5.754 -5.436 7.572 1.00 55.44 H new ATOM 0 HG2 GLU A 43 8.658 -4.563 7.846 1.00 61.55 H new ATOM 0 HG3 GLU A 43 7.234 -3.600 8.188 1.00 61.55 H new ATOM 702 N ILE A 44 6.509 -7.717 5.039 1.00 64.44 N ATOM 703 CA ILE A 44 5.755 -8.444 4.005 1.00 55.14 C ATOM 704 C ILE A 44 5.809 -9.950 4.285 1.00 25.45 C ATOM 705 O ILE A 44 4.784 -10.621 4.289 1.00 62.32 O ATOM 706 CB ILE A 44 6.331 -8.180 2.553 1.00 3.35 C ATOM 707 CG1 ILE A 44 6.123 -6.699 2.091 1.00 73.30 C ATOM 708 CG2 ILE A 44 5.724 -9.160 1.522 1.00 11.04 C ATOM 709 CD1 ILE A 44 6.738 -6.378 0.725 1.00 62.12 C ATOM 0 H ILE A 44 7.246 -7.123 4.658 1.00 64.44 H new ATOM 0 HA ILE A 44 4.728 -8.081 4.040 1.00 55.14 H new ATOM 0 HB ILE A 44 7.405 -8.356 2.608 1.00 3.35 H new ATOM 0 HG12 ILE A 44 5.054 -6.488 2.055 1.00 73.30 H new ATOM 0 HG13 ILE A 44 6.555 -6.033 2.838 1.00 73.30 H new ATOM 0 HG21 ILE A 44 6.139 -8.953 0.535 1.00 11.04 H new ATOM 0 HG22 ILE A 44 5.963 -10.184 1.809 1.00 11.04 H new ATOM 0 HG23 ILE A 44 4.642 -9.034 1.494 1.00 11.04 H new ATOM 0 HD11 ILE A 44 6.550 -5.333 0.478 1.00 62.12 H new ATOM 0 HD12 ILE A 44 7.813 -6.555 0.759 1.00 62.12 H new ATOM 0 HD13 ILE A 44 6.289 -7.017 -0.035 1.00 62.12 H new ATOM 721 N GLU A 45 7.030 -10.444 4.543 1.00 62.41 N ATOM 722 CA GLU A 45 7.310 -11.882 4.653 1.00 51.24 C ATOM 723 C GLU A 45 6.607 -12.511 5.879 1.00 60.40 C ATOM 724 O GLU A 45 6.196 -13.676 5.838 1.00 53.41 O ATOM 725 CB GLU A 45 8.842 -12.107 4.711 1.00 32.04 C ATOM 726 CG GLU A 45 9.297 -13.555 4.430 1.00 71.04 C ATOM 727 CD GLU A 45 8.886 -14.054 3.031 1.00 34.43 C ATOM 728 OE1 GLU A 45 9.183 -13.363 2.035 1.00 11.10 O ATOM 729 OE2 GLU A 45 8.248 -15.114 2.912 1.00 73.51 O ATOM 0 H GLU A 45 7.852 -9.855 4.681 1.00 62.41 H new ATOM 0 HA GLU A 45 6.909 -12.381 3.771 1.00 51.24 H new ATOM 0 HB2 GLU A 45 9.319 -11.445 3.989 1.00 32.04 H new ATOM 0 HB3 GLU A 45 9.201 -11.814 5.698 1.00 32.04 H new ATOM 0 HG2 GLU A 45 10.381 -13.615 4.527 1.00 71.04 H new ATOM 0 HG3 GLU A 45 8.872 -14.217 5.185 1.00 71.04 H new ATOM 736 N LYS A 46 6.454 -11.710 6.949 1.00 14.22 N ATOM 737 CA LYS A 46 5.724 -12.123 8.162 1.00 1.10 C ATOM 738 C LYS A 46 4.214 -12.229 7.873 1.00 32.02 C ATOM 739 O LYS A 46 3.535 -13.128 8.383 1.00 62.14 O ATOM 740 CB LYS A 46 6.006 -11.127 9.316 1.00 3.10 C ATOM 741 CG LYS A 46 7.486 -11.076 9.757 1.00 32.53 C ATOM 742 CD LYS A 46 7.736 -10.110 10.938 1.00 41.40 C ATOM 743 CE LYS A 46 7.376 -8.655 10.613 1.00 73.22 C ATOM 744 NZ LYS A 46 7.583 -7.756 11.777 1.00 65.52 N ATOM 0 H LYS A 46 6.831 -10.763 6.998 1.00 14.22 H new ATOM 0 HA LYS A 46 6.074 -13.109 8.469 1.00 1.10 H new ATOM 0 HB2 LYS A 46 5.696 -10.129 9.005 1.00 3.10 H new ATOM 0 HB3 LYS A 46 5.391 -11.398 10.174 1.00 3.10 H new ATOM 0 HG2 LYS A 46 7.809 -12.078 10.041 1.00 32.53 H new ATOM 0 HG3 LYS A 46 8.101 -10.771 8.910 1.00 32.53 H new ATOM 0 HD2 LYS A 46 7.153 -10.439 11.798 1.00 41.40 H new ATOM 0 HD3 LYS A 46 8.786 -10.162 11.226 1.00 41.40 H new ATOM 0 HE2 LYS A 46 7.983 -8.310 9.776 1.00 73.22 H new ATOM 0 HE3 LYS A 46 6.335 -8.602 10.295 1.00 73.22 H new ATOM 0 HZ1 LYS A 46 6.661 -7.452 12.149 1.00 65.52 H new ATOM 0 HZ2 LYS A 46 8.105 -8.264 12.519 1.00 65.52 H new ATOM 0 HZ3 LYS A 46 8.128 -6.922 11.479 1.00 65.52 H new ATOM 758 N ALA A 47 3.712 -11.307 7.027 1.00 11.23 N ATOM 759 CA ALA A 47 2.308 -11.309 6.574 1.00 12.22 C ATOM 760 C ALA A 47 2.041 -12.515 5.650 1.00 43.00 C ATOM 761 O ALA A 47 0.966 -13.107 5.705 1.00 62.32 O ATOM 762 CB ALA A 47 1.967 -9.986 5.869 1.00 3.35 C ATOM 0 H ALA A 47 4.267 -10.543 6.640 1.00 11.23 H new ATOM 0 HA ALA A 47 1.661 -11.402 7.446 1.00 12.22 H new ATOM 0 HB1 ALA A 47 0.927 -10.006 5.542 1.00 3.35 H new ATOM 0 HB2 ALA A 47 2.114 -9.157 6.561 1.00 3.35 H new ATOM 0 HB3 ALA A 47 2.617 -9.857 5.004 1.00 3.35 H new ATOM 768 N ARG A 48 3.056 -12.889 4.831 1.00 71.41 N ATOM 769 CA ARG A 48 2.996 -14.079 3.951 1.00 70.40 C ATOM 770 C ARG A 48 2.900 -15.360 4.798 1.00 5.23 C ATOM 771 O ARG A 48 2.173 -16.293 4.448 1.00 12.35 O ATOM 772 CB ARG A 48 4.246 -14.168 3.028 1.00 30.22 C ATOM 773 CG ARG A 48 4.438 -12.984 2.058 1.00 1.02 C ATOM 774 CD ARG A 48 5.682 -13.161 1.167 1.00 73.01 C ATOM 775 NE ARG A 48 5.530 -14.273 0.203 1.00 71.13 N ATOM 776 CZ ARG A 48 6.540 -14.922 -0.401 1.00 64.22 C ATOM 777 NH1 ARG A 48 7.802 -14.609 -0.149 1.00 34.12 N ATOM 778 NH2 ARG A 48 6.272 -15.865 -1.288 1.00 33.31 N ATOM 0 H ARG A 48 3.935 -12.375 4.764 1.00 71.41 H new ATOM 0 HA ARG A 48 2.109 -13.981 3.325 1.00 70.40 H new ATOM 0 HB2 ARG A 48 5.134 -14.250 3.655 1.00 30.22 H new ATOM 0 HB3 ARG A 48 4.181 -15.087 2.445 1.00 30.22 H new ATOM 0 HG2 ARG A 48 3.553 -12.884 1.429 1.00 1.02 H new ATOM 0 HG3 ARG A 48 4.530 -12.060 2.628 1.00 1.02 H new ATOM 0 HD2 ARG A 48 5.871 -12.235 0.623 1.00 73.01 H new ATOM 0 HD3 ARG A 48 6.553 -13.345 1.796 1.00 73.01 H new ATOM 0 HE ARG A 48 4.581 -14.572 -0.022 1.00 71.13 H new ATOM 0 HH11 ARG A 48 8.020 -13.864 0.513 1.00 34.12 H new ATOM 0 HH12 ARG A 48 8.556 -15.113 -0.617 1.00 34.12 H new ATOM 0 HH21 ARG A 48 5.304 -16.096 -1.510 1.00 33.31 H new ATOM 0 HH22 ARG A 48 7.034 -16.362 -1.750 1.00 33.31 H new ATOM 792 N LYS A 49 3.633 -15.376 5.927 1.00 50.51 N ATOM 793 CA LYS A 49 3.661 -16.522 6.851 1.00 23.15 C ATOM 794 C LYS A 49 2.267 -16.729 7.483 1.00 22.12 C ATOM 795 O LYS A 49 1.809 -17.863 7.646 1.00 32.34 O ATOM 796 CB LYS A 49 4.746 -16.300 7.942 1.00 41.23 C ATOM 797 CG LYS A 49 5.068 -17.545 8.805 1.00 51.45 C ATOM 798 CD LYS A 49 5.713 -18.700 7.994 1.00 61.34 C ATOM 799 CE LYS A 49 7.084 -18.319 7.402 1.00 45.01 C ATOM 800 NZ LYS A 49 7.674 -19.421 6.605 1.00 14.24 N ATOM 0 H LYS A 49 4.221 -14.596 6.222 1.00 50.51 H new ATOM 0 HA LYS A 49 3.917 -17.425 6.297 1.00 23.15 H new ATOM 0 HB2 LYS A 49 5.663 -15.964 7.458 1.00 41.23 H new ATOM 0 HB3 LYS A 49 4.419 -15.495 8.600 1.00 41.23 H new ATOM 0 HG2 LYS A 49 5.742 -17.256 9.612 1.00 51.45 H new ATOM 0 HG3 LYS A 49 4.150 -17.904 9.270 1.00 51.45 H new ATOM 0 HD2 LYS A 49 5.830 -19.570 8.640 1.00 61.34 H new ATOM 0 HD3 LYS A 49 5.041 -18.990 7.186 1.00 61.34 H new ATOM 0 HE2 LYS A 49 6.974 -17.436 6.773 1.00 45.01 H new ATOM 0 HE3 LYS A 49 7.765 -18.052 8.210 1.00 45.01 H new ATOM 0 HZ1 LYS A 49 8.595 -19.121 6.226 1.00 14.24 H new ATOM 0 HZ2 LYS A 49 7.804 -20.256 7.211 1.00 14.24 H new ATOM 0 HZ3 LYS A 49 7.037 -19.660 5.818 1.00 14.24 H new ATOM 814 N GLN A 50 1.595 -15.609 7.805 1.00 24.31 N ATOM 815 CA GLN A 50 0.205 -15.610 8.305 1.00 0.11 C ATOM 816 C GLN A 50 -0.797 -15.897 7.160 1.00 62.02 C ATOM 817 O GLN A 50 -1.928 -16.321 7.410 1.00 54.20 O ATOM 818 CB GLN A 50 -0.110 -14.241 8.966 1.00 42.24 C ATOM 819 CG GLN A 50 0.760 -13.902 10.194 1.00 64.04 C ATOM 820 CD GLN A 50 0.579 -14.888 11.352 1.00 55.21 C ATOM 821 OE1 GLN A 50 1.298 -15.881 11.473 1.00 11.21 O ATOM 822 NE2 GLN A 50 -0.394 -14.624 12.203 1.00 52.30 N ATOM 0 H GLN A 50 1.999 -14.676 7.726 1.00 24.31 H new ATOM 0 HA GLN A 50 0.102 -16.402 9.046 1.00 0.11 H new ATOM 0 HB2 GLN A 50 0.016 -13.456 8.221 1.00 42.24 H new ATOM 0 HB3 GLN A 50 -1.158 -14.230 9.266 1.00 42.24 H new ATOM 0 HG2 GLN A 50 1.808 -13.890 9.896 1.00 64.04 H new ATOM 0 HG3 GLN A 50 0.515 -12.897 10.539 1.00 64.04 H new ATOM 0 HE21 GLN A 50 -0.972 -13.793 12.075 1.00 52.30 H new ATOM 0 HE22 GLN A 50 -0.568 -15.251 12.989 1.00 52.30 H new ATOM 831 N GLY A 51 -0.363 -15.641 5.907 1.00 43.42 N ATOM 832 CA GLY A 51 -1.193 -15.842 4.708 1.00 10.02 C ATOM 833 C GLY A 51 -2.152 -14.686 4.449 1.00 51.13 C ATOM 834 O GLY A 51 -3.121 -14.825 3.698 1.00 43.24 O ATOM 0 H GLY A 51 0.572 -15.290 5.702 1.00 43.42 H new ATOM 0 HA2 GLY A 51 -0.545 -15.971 3.841 1.00 10.02 H new ATOM 0 HA3 GLY A 51 -1.764 -16.764 4.818 1.00 10.02 H new ATOM 838 N ARG A 52 -1.857 -13.540 5.071 1.00 44.31 N ATOM 839 CA ARG A 52 -2.733 -12.357 5.115 1.00 14.43 C ATOM 840 C ARG A 52 -2.160 -11.196 4.277 1.00 24.53 C ATOM 841 O ARG A 52 -0.945 -11.157 4.016 1.00 34.04 O ATOM 842 CB ARG A 52 -2.883 -11.913 6.595 1.00 50.24 C ATOM 843 CG ARG A 52 -3.511 -12.992 7.489 1.00 24.33 C ATOM 844 CD ARG A 52 -3.569 -12.605 8.965 1.00 2.55 C ATOM 845 NE ARG A 52 -4.134 -13.705 9.760 1.00 31.35 N ATOM 846 CZ ARG A 52 -3.914 -13.915 11.057 1.00 41.11 C ATOM 847 NH1 ARG A 52 -3.128 -13.104 11.762 1.00 63.03 N ATOM 848 NH2 ARG A 52 -4.493 -14.942 11.646 1.00 14.34 N ATOM 0 H ARG A 52 -0.979 -13.402 5.572 1.00 44.31 H new ATOM 0 HA ARG A 52 -3.702 -12.619 4.691 1.00 14.43 H new ATOM 0 HB2 ARG A 52 -1.902 -11.649 6.990 1.00 50.24 H new ATOM 0 HB3 ARG A 52 -3.496 -11.013 6.637 1.00 50.24 H new ATOM 0 HG2 ARG A 52 -4.521 -13.201 7.137 1.00 24.33 H new ATOM 0 HG3 ARG A 52 -2.940 -13.915 7.386 1.00 24.33 H new ATOM 0 HD2 ARG A 52 -2.568 -12.364 9.324 1.00 2.55 H new ATOM 0 HD3 ARG A 52 -4.176 -11.708 9.089 1.00 2.55 H new ATOM 0 HE ARG A 52 -4.746 -14.363 9.278 1.00 31.35 H new ATOM 0 HH11 ARG A 52 -2.682 -12.306 11.310 1.00 63.03 H new ATOM 0 HH12 ARG A 52 -2.972 -13.281 12.754 1.00 63.03 H new ATOM 0 HH21 ARG A 52 -5.099 -15.562 11.109 1.00 14.34 H new ATOM 0 HH22 ARG A 52 -4.335 -15.117 12.638 1.00 14.34 H new ATOM 862 N PRO A 53 -3.036 -10.226 3.839 1.00 20.43 N ATOM 863 CA PRO A 53 -2.574 -8.964 3.221 1.00 54.52 C ATOM 864 C PRO A 53 -1.849 -8.044 4.237 1.00 35.55 C ATOM 865 O PRO A 53 -2.044 -8.163 5.459 1.00 21.40 O ATOM 866 CB PRO A 53 -3.891 -8.315 2.693 1.00 44.01 C ATOM 867 CG PRO A 53 -4.980 -8.894 3.547 1.00 64.55 C ATOM 868 CD PRO A 53 -4.534 -10.307 3.867 1.00 24.10 C ATOM 0 HA PRO A 53 -1.837 -9.131 2.435 1.00 54.52 H new ATOM 0 HB2 PRO A 53 -3.858 -7.229 2.779 1.00 44.01 H new ATOM 0 HB3 PRO A 53 -4.050 -8.547 1.640 1.00 44.01 H new ATOM 0 HG2 PRO A 53 -5.118 -8.310 4.457 1.00 64.55 H new ATOM 0 HG3 PRO A 53 -5.934 -8.893 3.020 1.00 64.55 H new ATOM 0 HD2 PRO A 53 -4.899 -10.630 4.842 1.00 24.10 H new ATOM 0 HD3 PRO A 53 -4.910 -11.021 3.134 1.00 24.10 H new ATOM 876 N ILE A 54 -1.013 -7.132 3.717 1.00 74.41 N ATOM 877 CA ILE A 54 -0.268 -6.161 4.529 1.00 1.21 C ATOM 878 C ILE A 54 -0.417 -4.755 3.925 1.00 73.11 C ATOM 879 O ILE A 54 -0.277 -4.574 2.715 1.00 54.13 O ATOM 880 CB ILE A 54 1.248 -6.559 4.671 1.00 11.00 C ATOM 881 CG1 ILE A 54 2.002 -5.534 5.573 1.00 35.54 C ATOM 882 CG2 ILE A 54 1.939 -6.736 3.290 1.00 42.33 C ATOM 883 CD1 ILE A 54 3.449 -5.867 5.839 1.00 14.44 C ATOM 0 H ILE A 54 -0.835 -7.048 2.716 1.00 74.41 H new ATOM 0 HA ILE A 54 -0.690 -6.162 5.534 1.00 1.21 H new ATOM 0 HB ILE A 54 1.291 -7.532 5.160 1.00 11.00 H new ATOM 0 HG12 ILE A 54 1.951 -4.552 5.103 1.00 35.54 H new ATOM 0 HG13 ILE A 54 1.480 -5.459 6.527 1.00 35.54 H new ATOM 0 HG21 ILE A 54 2.983 -7.010 3.438 1.00 42.33 H new ATOM 0 HG22 ILE A 54 1.434 -7.522 2.728 1.00 42.33 H new ATOM 0 HG23 ILE A 54 1.885 -5.800 2.734 1.00 42.33 H new ATOM 0 HD11 ILE A 54 3.889 -5.098 6.474 1.00 14.44 H new ATOM 0 HD12 ILE A 54 3.514 -6.833 6.341 1.00 14.44 H new ATOM 0 HD13 ILE A 54 3.992 -5.912 4.895 1.00 14.44 H new ATOM 895 N VAL A 55 -0.713 -3.765 4.783 1.00 14.34 N ATOM 896 CA VAL A 55 -1.053 -2.405 4.355 1.00 64.12 C ATOM 897 C VAL A 55 0.079 -1.434 4.738 1.00 21.24 C ATOM 898 O VAL A 55 0.256 -1.118 5.915 1.00 51.34 O ATOM 899 CB VAL A 55 -2.418 -1.945 4.988 1.00 1.10 C ATOM 900 CG1 VAL A 55 -2.968 -0.699 4.270 1.00 73.31 C ATOM 901 CG2 VAL A 55 -3.459 -3.084 4.973 1.00 12.02 C ATOM 0 H VAL A 55 -0.722 -3.889 5.795 1.00 14.34 H new ATOM 0 HA VAL A 55 -1.167 -2.399 3.271 1.00 64.12 H new ATOM 0 HB VAL A 55 -2.224 -1.683 6.028 1.00 1.10 H new ATOM 0 HG11 VAL A 55 -3.912 -0.402 4.727 1.00 73.31 H new ATOM 0 HG12 VAL A 55 -2.251 0.117 4.356 1.00 73.31 H new ATOM 0 HG13 VAL A 55 -3.131 -0.928 3.217 1.00 73.31 H new ATOM 0 HG21 VAL A 55 -4.390 -2.732 5.418 1.00 12.02 H new ATOM 0 HG22 VAL A 55 -3.643 -3.395 3.945 1.00 12.02 H new ATOM 0 HG23 VAL A 55 -3.081 -3.930 5.546 1.00 12.02 H new ATOM 911 N ILE A 56 0.838 -0.958 3.736 1.00 35.13 N ATOM 912 CA ILE A 56 2.029 -0.111 3.957 1.00 50.03 C ATOM 913 C ILE A 56 1.655 1.375 3.803 1.00 21.04 C ATOM 914 O ILE A 56 1.236 1.797 2.726 1.00 34.13 O ATOM 915 CB ILE A 56 3.185 -0.487 2.947 1.00 44.13 C ATOM 916 CG1 ILE A 56 3.469 -2.025 2.970 1.00 65.32 C ATOM 917 CG2 ILE A 56 4.483 0.312 3.251 1.00 61.12 C ATOM 918 CD1 ILE A 56 3.891 -2.562 4.327 1.00 62.44 C ATOM 0 H ILE A 56 0.646 -1.147 2.752 1.00 35.13 H new ATOM 0 HA ILE A 56 2.391 -0.287 4.970 1.00 50.03 H new ATOM 0 HB ILE A 56 2.849 -0.215 1.947 1.00 44.13 H new ATOM 0 HG12 ILE A 56 2.572 -2.553 2.646 1.00 65.32 H new ATOM 0 HG13 ILE A 56 4.251 -2.249 2.244 1.00 65.32 H new ATOM 0 HG21 ILE A 56 5.259 0.030 2.539 1.00 61.12 H new ATOM 0 HG22 ILE A 56 4.282 1.380 3.165 1.00 61.12 H new ATOM 0 HG23 ILE A 56 4.820 0.087 4.263 1.00 61.12 H new ATOM 0 HD11 ILE A 56 4.068 -3.635 4.255 1.00 62.44 H new ATOM 0 HD12 ILE A 56 4.806 -2.064 4.647 1.00 62.44 H new ATOM 0 HD13 ILE A 56 3.102 -2.373 5.055 1.00 62.44 H new ATOM 930 N PHE A 57 1.796 2.161 4.880 1.00 53.41 N ATOM 931 CA PHE A 57 1.452 3.594 4.885 1.00 0.21 C ATOM 932 C PHE A 57 2.694 4.448 4.605 1.00 65.31 C ATOM 933 O PHE A 57 3.642 4.502 5.404 1.00 35.21 O ATOM 934 CB PHE A 57 0.784 3.997 6.220 1.00 23.43 C ATOM 935 CG PHE A 57 -0.641 3.469 6.338 1.00 64.33 C ATOM 936 CD1 PHE A 57 -0.887 2.130 6.632 1.00 14.32 C ATOM 937 CD2 PHE A 57 -1.732 4.305 6.113 1.00 5.42 C ATOM 938 CE1 PHE A 57 -2.177 1.652 6.692 1.00 73.05 C ATOM 939 CE2 PHE A 57 -3.019 3.818 6.168 1.00 51.23 C ATOM 940 CZ PHE A 57 -3.238 2.493 6.459 1.00 60.41 C ATOM 0 H PHE A 57 2.152 1.823 5.774 1.00 53.41 H new ATOM 0 HA PHE A 57 0.732 3.776 4.087 1.00 0.21 H new ATOM 0 HB2 PHE A 57 1.379 3.617 7.050 1.00 23.43 H new ATOM 0 HB3 PHE A 57 0.774 5.084 6.305 1.00 23.43 H new ATOM 0 HD1 PHE A 57 -0.059 1.461 6.814 1.00 14.32 H new ATOM 0 HD2 PHE A 57 -1.566 5.349 5.892 1.00 5.42 H new ATOM 0 HE1 PHE A 57 -2.355 0.612 6.923 1.00 73.05 H new ATOM 0 HE2 PHE A 57 -3.855 4.476 5.983 1.00 51.23 H new ATOM 0 HZ PHE A 57 -4.247 2.112 6.505 1.00 60.41 H new ATOM 950 N ILE A 58 2.658 5.097 3.437 1.00 10.35 N ATOM 951 CA ILE A 58 3.723 5.950 2.900 1.00 21.01 C ATOM 952 C ILE A 58 3.128 7.348 2.619 1.00 24.44 C ATOM 953 O ILE A 58 1.941 7.464 2.341 1.00 14.21 O ATOM 954 CB ILE A 58 4.289 5.322 1.570 1.00 50.30 C ATOM 955 CG1 ILE A 58 4.790 3.854 1.796 1.00 34.55 C ATOM 956 CG2 ILE A 58 5.402 6.192 0.965 1.00 30.12 C ATOM 957 CD1 ILE A 58 6.042 3.724 2.648 1.00 72.33 C ATOM 0 H ILE A 58 1.852 5.040 2.814 1.00 10.35 H new ATOM 0 HA ILE A 58 4.540 6.032 3.617 1.00 21.01 H new ATOM 0 HB ILE A 58 3.466 5.288 0.856 1.00 50.30 H new ATOM 0 HG12 ILE A 58 3.989 3.281 2.264 1.00 34.55 H new ATOM 0 HG13 ILE A 58 4.981 3.398 0.825 1.00 34.55 H new ATOM 0 HG21 ILE A 58 5.769 5.729 0.049 1.00 30.12 H new ATOM 0 HG22 ILE A 58 5.007 7.182 0.738 1.00 30.12 H new ATOM 0 HG23 ILE A 58 6.221 6.283 1.679 1.00 30.12 H new ATOM 0 HD11 ILE A 58 6.308 2.671 2.746 1.00 72.33 H new ATOM 0 HD12 ILE A 58 6.862 4.263 2.174 1.00 72.33 H new ATOM 0 HD13 ILE A 58 5.855 4.144 3.636 1.00 72.33 H new ATOM 969 N ARG A 59 3.935 8.406 2.720 1.00 31.41 N ATOM 970 CA ARG A 59 3.494 9.781 2.382 1.00 3.34 C ATOM 971 C ARG A 59 4.080 10.178 1.008 1.00 32.20 C ATOM 972 O ARG A 59 5.001 9.516 0.527 1.00 40.14 O ATOM 973 CB ARG A 59 3.914 10.752 3.517 1.00 53.33 C ATOM 974 CG ARG A 59 2.988 11.967 3.714 1.00 71.31 C ATOM 975 CD ARG A 59 3.447 12.854 4.875 1.00 63.31 C ATOM 976 NE ARG A 59 3.569 12.086 6.133 1.00 63.31 N ATOM 977 CZ ARG A 59 4.579 12.175 7.014 1.00 24.20 C ATOM 978 NH1 ARG A 59 5.598 13.011 6.813 1.00 73.33 N ATOM 979 NH2 ARG A 59 4.540 11.429 8.108 1.00 4.32 N ATOM 0 H ARG A 59 4.904 8.347 3.034 1.00 31.41 H new ATOM 0 HA ARG A 59 2.408 9.832 2.301 1.00 3.34 H new ATOM 0 HB2 ARG A 59 3.960 10.194 4.452 1.00 53.33 H new ATOM 0 HB3 ARG A 59 4.922 11.113 3.311 1.00 53.33 H new ATOM 0 HG2 ARG A 59 2.961 12.555 2.797 1.00 71.31 H new ATOM 0 HG3 ARG A 59 1.971 11.622 3.901 1.00 71.31 H new ATOM 0 HD2 ARG A 59 4.408 13.306 4.630 1.00 63.31 H new ATOM 0 HD3 ARG A 59 2.737 13.669 5.013 1.00 63.31 H new ATOM 0 HE ARG A 59 2.819 11.430 6.351 1.00 63.31 H new ATOM 0 HH11 ARG A 59 5.620 13.597 5.979 1.00 73.33 H new ATOM 0 HH12 ARG A 59 6.356 13.064 7.494 1.00 73.33 H new ATOM 0 HH21 ARG A 59 3.752 10.801 8.269 1.00 4.32 H new ATOM 0 HH22 ARG A 59 5.298 11.482 8.789 1.00 4.32 H new ATOM 993 N GLY A 60 3.537 11.249 0.393 1.00 41.11 N ATOM 994 CA GLY A 60 3.854 11.628 -1.002 1.00 11.05 C ATOM 995 C GLY A 60 5.339 11.857 -1.290 1.00 13.42 C ATOM 996 O GLY A 60 5.810 11.569 -2.396 1.00 71.12 O ATOM 0 H GLY A 60 2.870 11.873 0.846 1.00 41.11 H new ATOM 0 HA2 GLY A 60 3.487 10.846 -1.667 1.00 11.05 H new ATOM 0 HA3 GLY A 60 3.307 12.538 -1.248 1.00 11.05 H new ATOM 1000 N ALA A 61 6.069 12.370 -0.286 1.00 71.24 N ATOM 1001 CA ALA A 61 7.526 12.603 -0.383 1.00 40.32 C ATOM 1002 C ALA A 61 8.286 11.268 -0.393 1.00 13.42 C ATOM 1003 O ALA A 61 9.259 11.089 -1.120 1.00 71.15 O ATOM 1004 CB ALA A 61 7.986 13.469 0.801 1.00 70.11 C ATOM 0 H ALA A 61 5.671 12.635 0.615 1.00 71.24 H new ATOM 0 HA ALA A 61 7.741 13.124 -1.316 1.00 40.32 H new ATOM 0 HB1 ALA A 61 9.060 13.641 0.730 1.00 70.11 H new ATOM 0 HB2 ALA A 61 7.463 14.425 0.777 1.00 70.11 H new ATOM 0 HB3 ALA A 61 7.762 12.956 1.736 1.00 70.11 H new ATOM 1010 N TYR A 62 7.796 10.350 0.438 1.00 4.21 N ATOM 1011 CA TYR A 62 8.372 9.013 0.639 1.00 5.53 C ATOM 1012 C TYR A 62 8.014 8.055 -0.525 1.00 14.41 C ATOM 1013 O TYR A 62 8.675 7.042 -0.700 1.00 41.00 O ATOM 1014 CB TYR A 62 7.923 8.440 2.008 1.00 43.12 C ATOM 1015 CG TYR A 62 8.257 9.353 3.199 1.00 61.32 C ATOM 1016 CD1 TYR A 62 9.571 9.751 3.446 1.00 50.30 C ATOM 1017 CD2 TYR A 62 7.266 9.851 4.045 1.00 13.33 C ATOM 1018 CE1 TYR A 62 9.880 10.598 4.489 1.00 71.31 C ATOM 1019 CE2 TYR A 62 7.570 10.710 5.086 1.00 51.55 C ATOM 1020 CZ TYR A 62 8.876 11.079 5.303 1.00 2.53 C ATOM 1021 OH TYR A 62 9.183 11.955 6.324 1.00 10.14 O ATOM 0 H TYR A 62 6.966 10.516 1.007 1.00 4.21 H new ATOM 0 HA TYR A 62 9.458 9.106 0.645 1.00 5.53 H new ATOM 0 HB2 TYR A 62 6.847 8.267 1.984 1.00 43.12 H new ATOM 0 HB3 TYR A 62 8.398 7.471 2.160 1.00 43.12 H new ATOM 0 HD1 TYR A 62 10.363 9.388 2.807 1.00 50.30 H new ATOM 0 HD2 TYR A 62 6.239 9.560 3.884 1.00 13.33 H new ATOM 0 HE1 TYR A 62 10.906 10.884 4.668 1.00 71.31 H new ATOM 0 HE2 TYR A 62 6.785 11.088 5.725 1.00 51.55 H new ATOM 0 HH TYR A 62 8.364 12.200 6.803 1.00 10.14 H new ATOM 1031 N GLU A 63 6.909 8.360 -1.250 1.00 3.30 N ATOM 1032 CA GLU A 63 6.274 7.461 -2.261 1.00 21.40 C ATOM 1033 C GLU A 63 7.254 6.881 -3.304 1.00 75.22 C ATOM 1034 O GLU A 63 7.063 5.757 -3.777 1.00 44.14 O ATOM 1035 CB GLU A 63 5.129 8.227 -2.972 1.00 64.45 C ATOM 1036 CG GLU A 63 4.357 7.417 -4.040 1.00 71.50 C ATOM 1037 CD GLU A 63 3.380 8.261 -4.876 1.00 10.40 C ATOM 1038 OE1 GLU A 63 2.473 8.887 -4.295 1.00 43.22 O ATOM 1039 OE2 GLU A 63 3.517 8.300 -6.122 1.00 3.41 O ATOM 0 H GLU A 63 6.422 9.251 -1.151 1.00 3.30 H new ATOM 0 HA GLU A 63 5.890 6.600 -1.714 1.00 21.40 H new ATOM 0 HB2 GLU A 63 4.421 8.571 -2.218 1.00 64.45 H new ATOM 0 HB3 GLU A 63 5.547 9.115 -3.445 1.00 64.45 H new ATOM 0 HG2 GLU A 63 5.074 6.940 -4.709 1.00 71.50 H new ATOM 0 HG3 GLU A 63 3.802 6.619 -3.546 1.00 71.50 H new ATOM 1046 N GLU A 64 8.303 7.631 -3.647 1.00 75.41 N ATOM 1047 CA GLU A 64 9.311 7.184 -4.625 1.00 52.23 C ATOM 1048 C GLU A 64 10.095 5.925 -4.130 1.00 71.03 C ATOM 1049 O GLU A 64 10.561 5.113 -4.943 1.00 22.14 O ATOM 1050 CB GLU A 64 10.234 8.375 -4.985 1.00 50.31 C ATOM 1051 CG GLU A 64 11.056 8.992 -3.813 1.00 4.10 C ATOM 1052 CD GLU A 64 12.525 8.524 -3.778 1.00 40.35 C ATOM 1053 OE1 GLU A 64 13.378 9.160 -4.426 1.00 73.22 O ATOM 1054 OE2 GLU A 64 12.828 7.509 -3.134 1.00 50.35 O ATOM 0 H GLU A 64 8.482 8.558 -3.262 1.00 75.41 H new ATOM 0 HA GLU A 64 8.808 6.859 -5.536 1.00 52.23 H new ATOM 0 HB2 GLU A 64 10.931 8.046 -5.756 1.00 50.31 H new ATOM 0 HB3 GLU A 64 9.621 9.162 -5.424 1.00 50.31 H new ATOM 0 HG2 GLU A 64 11.031 10.079 -3.895 1.00 4.10 H new ATOM 0 HG3 GLU A 64 10.578 8.733 -2.868 1.00 4.10 H new ATOM 1061 N VAL A 65 10.225 5.794 -2.790 1.00 4.33 N ATOM 1062 CA VAL A 65 10.849 4.623 -2.112 1.00 23.53 C ATOM 1063 C VAL A 65 10.015 3.330 -2.305 1.00 13.20 C ATOM 1064 O VAL A 65 10.567 2.221 -2.290 1.00 15.15 O ATOM 1065 CB VAL A 65 11.054 4.888 -0.559 1.00 5.31 C ATOM 1066 CG1 VAL A 65 11.775 3.713 0.133 1.00 23.23 C ATOM 1067 CG2 VAL A 65 11.809 6.213 -0.307 1.00 44.43 C ATOM 0 H VAL A 65 9.897 6.505 -2.136 1.00 4.33 H new ATOM 0 HA VAL A 65 11.823 4.483 -2.581 1.00 23.53 H new ATOM 0 HB VAL A 65 10.060 4.974 -0.119 1.00 5.31 H new ATOM 0 HG11 VAL A 65 11.896 3.934 1.194 1.00 23.23 H new ATOM 0 HG12 VAL A 65 11.184 2.804 0.016 1.00 23.23 H new ATOM 0 HG13 VAL A 65 12.755 3.569 -0.321 1.00 23.23 H new ATOM 0 HG21 VAL A 65 11.932 6.363 0.766 1.00 44.43 H new ATOM 0 HG22 VAL A 65 12.789 6.169 -0.782 1.00 44.43 H new ATOM 0 HG23 VAL A 65 11.239 7.042 -0.726 1.00 44.43 H new ATOM 1077 N VAL A 66 8.677 3.482 -2.467 1.00 34.33 N ATOM 1078 CA VAL A 66 7.746 2.337 -2.658 1.00 41.22 C ATOM 1079 C VAL A 66 8.176 1.452 -3.847 1.00 65.22 C ATOM 1080 O VAL A 66 7.961 0.248 -3.813 1.00 74.12 O ATOM 1081 CB VAL A 66 6.244 2.790 -2.843 1.00 64.42 C ATOM 1082 CG1 VAL A 66 5.278 1.583 -3.028 1.00 3.31 C ATOM 1083 CG2 VAL A 66 5.797 3.670 -1.668 1.00 51.41 C ATOM 0 H VAL A 66 8.215 4.391 -2.469 1.00 34.33 H new ATOM 0 HA VAL A 66 7.802 1.753 -1.739 1.00 41.22 H new ATOM 0 HB VAL A 66 6.197 3.377 -3.760 1.00 64.42 H new ATOM 0 HG11 VAL A 66 4.258 1.948 -3.151 1.00 3.31 H new ATOM 0 HG12 VAL A 66 5.569 1.016 -3.912 1.00 3.31 H new ATOM 0 HG13 VAL A 66 5.329 0.938 -2.151 1.00 3.31 H new ATOM 0 HG21 VAL A 66 4.760 3.972 -1.814 1.00 51.41 H new ATOM 0 HG22 VAL A 66 5.884 3.108 -0.738 1.00 51.41 H new ATOM 0 HG23 VAL A 66 6.429 4.556 -1.616 1.00 51.41 H new ATOM 1093 N ARG A 67 8.804 2.064 -4.878 1.00 62.44 N ATOM 1094 CA ARG A 67 9.293 1.340 -6.078 1.00 14.34 C ATOM 1095 C ARG A 67 10.252 0.193 -5.678 1.00 42.02 C ATOM 1096 O ARG A 67 10.216 -0.886 -6.267 1.00 41.41 O ATOM 1097 CB ARG A 67 10.010 2.316 -7.054 1.00 53.01 C ATOM 1098 CG ARG A 67 10.314 1.720 -8.445 1.00 14.31 C ATOM 1099 CD ARG A 67 11.146 2.662 -9.335 1.00 1.45 C ATOM 1100 NE ARG A 67 12.462 2.972 -8.736 1.00 34.34 N ATOM 1101 CZ ARG A 67 13.611 2.310 -8.977 1.00 14.41 C ATOM 1102 NH1 ARG A 67 13.640 1.273 -9.810 1.00 1.30 N ATOM 1103 NH2 ARG A 67 14.730 2.694 -8.371 1.00 52.23 N ATOM 0 H ARG A 67 8.986 3.067 -4.903 1.00 62.44 H new ATOM 0 HA ARG A 67 8.429 0.909 -6.584 1.00 14.34 H new ATOM 0 HB2 ARG A 67 9.391 3.204 -7.180 1.00 53.01 H new ATOM 0 HB3 ARG A 67 10.946 2.642 -6.600 1.00 53.01 H new ATOM 0 HG2 ARG A 67 10.850 0.779 -8.322 1.00 14.31 H new ATOM 0 HG3 ARG A 67 9.375 1.489 -8.948 1.00 14.31 H new ATOM 0 HD2 ARG A 67 11.292 2.202 -10.312 1.00 1.45 H new ATOM 0 HD3 ARG A 67 10.595 3.588 -9.498 1.00 1.45 H new ATOM 0 HE ARG A 67 12.504 3.755 -8.084 1.00 34.34 H new ATOM 0 HH11 ARG A 67 12.785 0.969 -10.276 1.00 1.30 H new ATOM 0 HH12 ARG A 67 14.517 0.782 -9.983 1.00 1.30 H new ATOM 0 HH21 ARG A 67 14.716 3.486 -7.728 1.00 52.23 H new ATOM 0 HH22 ARG A 67 15.603 2.197 -8.549 1.00 52.23 H new ATOM 1117 N ASP A 68 11.076 0.454 -4.644 1.00 23.34 N ATOM 1118 CA ASP A 68 12.042 -0.524 -4.091 1.00 23.21 C ATOM 1119 C ASP A 68 11.317 -1.677 -3.365 1.00 1.44 C ATOM 1120 O ASP A 68 11.731 -2.840 -3.436 1.00 3.50 O ATOM 1121 CB ASP A 68 13.012 0.166 -3.101 1.00 44.11 C ATOM 1122 CG ASP A 68 13.781 1.356 -3.705 1.00 54.32 C ATOM 1123 OD1 ASP A 68 13.158 2.413 -3.949 1.00 62.30 O ATOM 1124 OD2 ASP A 68 15.016 1.268 -3.888 1.00 45.33 O ATOM 0 H ASP A 68 11.092 1.354 -4.164 1.00 23.34 H new ATOM 0 HA ASP A 68 12.606 -0.932 -4.930 1.00 23.21 H new ATOM 0 HB2 ASP A 68 12.446 0.513 -2.236 1.00 44.11 H new ATOM 0 HB3 ASP A 68 13.729 -0.570 -2.738 1.00 44.11 H new ATOM 1129 N ILE A 69 10.240 -1.320 -2.649 1.00 33.20 N ATOM 1130 CA ILE A 69 9.345 -2.287 -1.979 1.00 53.33 C ATOM 1131 C ILE A 69 8.676 -3.197 -3.042 1.00 13.40 C ATOM 1132 O ILE A 69 8.530 -4.410 -2.845 1.00 73.30 O ATOM 1133 CB ILE A 69 8.247 -1.522 -1.142 1.00 44.23 C ATOM 1134 CG1 ILE A 69 8.920 -0.571 -0.088 1.00 60.23 C ATOM 1135 CG2 ILE A 69 7.249 -2.505 -0.475 1.00 30.23 C ATOM 1136 CD1 ILE A 69 7.954 0.345 0.654 1.00 21.55 C ATOM 0 H ILE A 69 9.961 -0.348 -2.515 1.00 33.20 H new ATOM 0 HA ILE A 69 9.929 -2.905 -1.298 1.00 53.33 H new ATOM 0 HB ILE A 69 7.668 -0.904 -1.829 1.00 44.23 H new ATOM 0 HG12 ILE A 69 9.454 -1.180 0.641 1.00 60.23 H new ATOM 0 HG13 ILE A 69 9.664 0.043 -0.596 1.00 60.23 H new ATOM 0 HG21 ILE A 69 6.508 -1.942 0.092 1.00 30.23 H new ATOM 0 HG22 ILE A 69 6.747 -3.092 -1.244 1.00 30.23 H new ATOM 0 HG23 ILE A 69 7.789 -3.173 0.196 1.00 30.23 H new ATOM 0 HD11 ILE A 69 8.509 0.964 1.360 1.00 21.55 H new ATOM 0 HD12 ILE A 69 7.437 0.985 -0.061 1.00 21.55 H new ATOM 0 HD13 ILE A 69 7.224 -0.257 1.195 1.00 21.55 H new ATOM 1148 N VAL A 70 8.327 -2.570 -4.181 1.00 1.21 N ATOM 1149 CA VAL A 70 7.725 -3.232 -5.346 1.00 31.11 C ATOM 1150 C VAL A 70 8.738 -4.196 -6.006 1.00 44.12 C ATOM 1151 O VAL A 70 8.339 -5.264 -6.459 1.00 73.13 O ATOM 1152 CB VAL A 70 7.188 -2.163 -6.385 1.00 73.02 C ATOM 1153 CG1 VAL A 70 6.742 -2.812 -7.712 1.00 54.11 C ATOM 1154 CG2 VAL A 70 6.026 -1.337 -5.772 1.00 52.02 C ATOM 0 H VAL A 70 8.460 -1.568 -4.316 1.00 1.21 H new ATOM 0 HA VAL A 70 6.873 -3.821 -5.006 1.00 31.11 H new ATOM 0 HB VAL A 70 8.018 -1.494 -6.612 1.00 73.02 H new ATOM 0 HG11 VAL A 70 6.382 -2.040 -8.392 1.00 54.11 H new ATOM 0 HG12 VAL A 70 7.587 -3.330 -8.166 1.00 54.11 H new ATOM 0 HG13 VAL A 70 5.941 -3.526 -7.517 1.00 54.11 H new ATOM 0 HG21 VAL A 70 5.672 -0.609 -6.502 1.00 52.02 H new ATOM 0 HG22 VAL A 70 5.209 -2.005 -5.500 1.00 52.02 H new ATOM 0 HG23 VAL A 70 6.380 -0.816 -4.882 1.00 52.02 H new ATOM 1164 N GLU A 71 10.046 -3.823 -6.020 1.00 11.34 N ATOM 1165 CA GLU A 71 11.122 -4.682 -6.578 1.00 52.32 C ATOM 1166 C GLU A 71 11.134 -6.055 -5.872 1.00 12.12 C ATOM 1167 O GLU A 71 11.089 -7.098 -6.530 1.00 53.55 O ATOM 1168 CB GLU A 71 12.525 -4.029 -6.433 1.00 43.24 C ATOM 1169 CG GLU A 71 12.736 -2.699 -7.182 1.00 43.21 C ATOM 1170 CD GLU A 71 14.198 -2.207 -7.100 1.00 51.31 C ATOM 1171 OE1 GLU A 71 14.612 -1.697 -6.037 1.00 44.34 O ATOM 1172 OE2 GLU A 71 14.950 -2.372 -8.082 1.00 13.31 O ATOM 0 H GLU A 71 10.379 -2.932 -5.651 1.00 11.34 H new ATOM 0 HA GLU A 71 10.909 -4.807 -7.640 1.00 52.32 H new ATOM 0 HB2 GLU A 71 12.716 -3.860 -5.373 1.00 43.24 H new ATOM 0 HB3 GLU A 71 13.272 -4.741 -6.782 1.00 43.24 H new ATOM 0 HG2 GLU A 71 12.455 -2.825 -8.228 1.00 43.21 H new ATOM 0 HG3 GLU A 71 12.075 -1.940 -6.764 1.00 43.21 H new ATOM 1179 N TYR A 72 11.149 -6.015 -4.524 1.00 32.11 N ATOM 1180 CA TYR A 72 11.117 -7.216 -3.662 1.00 13.20 C ATOM 1181 C TYR A 72 9.824 -8.010 -3.889 1.00 30.12 C ATOM 1182 O TYR A 72 9.838 -9.240 -3.967 1.00 41.11 O ATOM 1183 CB TYR A 72 11.222 -6.796 -2.172 1.00 63.34 C ATOM 1184 CG TYR A 72 11.142 -7.963 -1.161 1.00 41.21 C ATOM 1185 CD1 TYR A 72 12.281 -8.695 -0.808 1.00 32.11 C ATOM 1186 CD2 TYR A 72 9.925 -8.323 -0.551 1.00 64.44 C ATOM 1187 CE1 TYR A 72 12.209 -9.734 0.100 1.00 73.35 C ATOM 1188 CE2 TYR A 72 9.859 -9.365 0.354 1.00 44.11 C ATOM 1189 CZ TYR A 72 11.004 -10.064 0.674 1.00 41.52 C ATOM 1190 OH TYR A 72 10.942 -11.099 1.569 1.00 35.14 O ATOM 0 H TYR A 72 11.184 -5.142 -3.998 1.00 32.11 H new ATOM 0 HA TYR A 72 11.964 -7.852 -3.920 1.00 13.20 H new ATOM 0 HB2 TYR A 72 12.165 -6.269 -2.023 1.00 63.34 H new ATOM 0 HB3 TYR A 72 10.423 -6.088 -1.952 1.00 63.34 H new ATOM 0 HD1 TYR A 72 13.233 -8.444 -1.253 1.00 32.11 H new ATOM 0 HD2 TYR A 72 9.027 -7.775 -0.795 1.00 64.44 H new ATOM 0 HE1 TYR A 72 13.100 -10.287 0.359 1.00 73.35 H new ATOM 0 HE2 TYR A 72 8.916 -9.631 0.808 1.00 44.11 H new ATOM 0 HH TYR A 72 10.163 -11.658 1.369 1.00 35.14 H new ATOM 1200 N ALA A 73 8.717 -7.269 -3.979 1.00 64.44 N ATOM 1201 CA ALA A 73 7.379 -7.833 -4.151 1.00 42.30 C ATOM 1202 C ALA A 73 7.240 -8.560 -5.510 1.00 4.13 C ATOM 1203 O ALA A 73 6.504 -9.544 -5.625 1.00 44.13 O ATOM 1204 CB ALA A 73 6.337 -6.723 -3.984 1.00 53.21 C ATOM 0 H ALA A 73 8.726 -6.250 -3.934 1.00 64.44 H new ATOM 0 HA ALA A 73 7.208 -8.588 -3.383 1.00 42.30 H new ATOM 0 HB1 ALA A 73 5.338 -7.140 -4.112 1.00 53.21 H new ATOM 0 HB2 ALA A 73 6.425 -6.289 -2.988 1.00 53.21 H new ATOM 0 HB3 ALA A 73 6.506 -5.950 -4.733 1.00 53.21 H new ATOM 1210 N GLN A 74 7.973 -8.066 -6.530 1.00 34.10 N ATOM 1211 CA GLN A 74 8.059 -8.702 -7.856 1.00 3.20 C ATOM 1212 C GLN A 74 8.880 -10.012 -7.767 1.00 34.42 C ATOM 1213 O GLN A 74 8.545 -10.989 -8.439 1.00 4.15 O ATOM 1214 CB GLN A 74 8.690 -7.728 -8.901 1.00 20.03 C ATOM 1215 CG GLN A 74 7.787 -6.529 -9.287 1.00 72.13 C ATOM 1216 CD GLN A 74 8.515 -5.429 -10.083 1.00 52.34 C ATOM 1217 OE1 GLN A 74 9.710 -5.204 -9.900 1.00 75.32 O ATOM 1218 NE2 GLN A 74 7.809 -4.727 -10.960 1.00 61.35 N ATOM 0 H GLN A 74 8.523 -7.211 -6.454 1.00 34.10 H new ATOM 0 HA GLN A 74 7.049 -8.943 -8.188 1.00 3.20 H new ATOM 0 HB2 GLN A 74 9.629 -7.346 -8.502 1.00 20.03 H new ATOM 0 HB3 GLN A 74 8.932 -8.290 -9.803 1.00 20.03 H new ATOM 0 HG2 GLN A 74 6.947 -6.895 -9.877 1.00 72.13 H new ATOM 0 HG3 GLN A 74 7.372 -6.092 -8.379 1.00 72.13 H new ATOM 0 HE21 GLN A 74 6.819 -4.930 -11.097 1.00 61.35 H new ATOM 0 HE22 GLN A 74 8.257 -3.985 -11.498 1.00 61.35 H new ATOM 1227 N LYS A 75 9.940 -10.020 -6.911 1.00 5.44 N ATOM 1228 CA LYS A 75 10.811 -11.213 -6.716 1.00 52.42 C ATOM 1229 C LYS A 75 10.004 -12.375 -6.126 1.00 45.13 C ATOM 1230 O LYS A 75 10.086 -13.516 -6.592 1.00 30.22 O ATOM 1231 CB LYS A 75 12.018 -10.917 -5.771 1.00 63.12 C ATOM 1232 CG LYS A 75 12.907 -9.732 -6.191 1.00 54.15 C ATOM 1233 CD LYS A 75 13.487 -9.865 -7.621 1.00 14.23 C ATOM 1234 CE LYS A 75 14.447 -8.714 -7.964 1.00 74.11 C ATOM 1235 NZ LYS A 75 14.978 -8.821 -9.343 1.00 2.33 N ATOM 0 H LYS A 75 10.211 -9.215 -6.346 1.00 5.44 H new ATOM 0 HA LYS A 75 11.198 -11.479 -7.700 1.00 52.42 H new ATOM 0 HB2 LYS A 75 11.635 -10.725 -4.769 1.00 63.12 H new ATOM 0 HB3 LYS A 75 12.638 -11.811 -5.710 1.00 63.12 H new ATOM 0 HG2 LYS A 75 12.325 -8.813 -6.129 1.00 54.15 H new ATOM 0 HG3 LYS A 75 13.730 -9.637 -5.482 1.00 54.15 H new ATOM 0 HD2 LYS A 75 14.014 -10.815 -7.711 1.00 14.23 H new ATOM 0 HD3 LYS A 75 12.671 -9.883 -8.343 1.00 14.23 H new ATOM 0 HE2 LYS A 75 13.927 -7.763 -7.849 1.00 74.11 H new ATOM 0 HE3 LYS A 75 15.276 -8.711 -7.256 1.00 74.11 H new ATOM 0 HZ1 LYS A 75 15.620 -8.025 -9.530 1.00 2.33 H new ATOM 0 HZ2 LYS A 75 15.497 -9.716 -9.447 1.00 2.33 H new ATOM 0 HZ3 LYS A 75 14.190 -8.797 -10.021 1.00 2.33 H new ATOM 1249 N GLU A 76 9.200 -12.047 -5.099 1.00 43.41 N ATOM 1250 CA GLU A 76 8.435 -13.028 -4.312 1.00 1.23 C ATOM 1251 C GLU A 76 7.096 -13.418 -4.981 1.00 42.31 C ATOM 1252 O GLU A 76 6.348 -14.233 -4.425 1.00 33.42 O ATOM 1253 CB GLU A 76 8.232 -12.475 -2.870 1.00 45.22 C ATOM 1254 CG GLU A 76 9.549 -12.167 -2.122 1.00 55.35 C ATOM 1255 CD GLU A 76 10.547 -13.344 -2.131 1.00 52.15 C ATOM 1256 OE1 GLU A 76 10.321 -14.339 -1.415 1.00 12.24 O ATOM 1257 OE2 GLU A 76 11.548 -13.292 -2.877 1.00 34.22 O ATOM 0 H GLU A 76 9.062 -11.085 -4.790 1.00 43.41 H new ATOM 0 HA GLU A 76 9.008 -13.954 -4.262 1.00 1.23 H new ATOM 0 HB2 GLU A 76 7.635 -11.565 -2.922 1.00 45.22 H new ATOM 0 HB3 GLU A 76 7.659 -13.200 -2.292 1.00 45.22 H new ATOM 0 HG2 GLU A 76 10.021 -11.296 -2.576 1.00 55.35 H new ATOM 0 HG3 GLU A 76 9.319 -11.903 -1.090 1.00 55.35 H new ATOM 1264 N GLY A 77 6.819 -12.851 -6.179 1.00 42.32 N ATOM 1265 CA GLY A 77 5.631 -13.200 -6.974 1.00 54.22 C ATOM 1266 C GLY A 77 4.330 -12.822 -6.289 1.00 44.44 C ATOM 1267 O GLY A 77 3.354 -13.579 -6.316 1.00 53.03 O ATOM 0 H GLY A 77 7.412 -12.144 -6.614 1.00 42.32 H new ATOM 0 HA2 GLY A 77 5.686 -12.698 -7.940 1.00 54.22 H new ATOM 0 HA3 GLY A 77 5.634 -14.272 -7.171 1.00 54.22 H new ATOM 1271 N LEU A 78 4.335 -11.633 -5.681 1.00 23.11 N ATOM 1272 CA LEU A 78 3.240 -11.151 -4.827 1.00 32.01 C ATOM 1273 C LEU A 78 2.192 -10.392 -5.634 1.00 42.31 C ATOM 1274 O LEU A 78 2.456 -9.923 -6.749 1.00 31.14 O ATOM 1275 CB LEU A 78 3.805 -10.238 -3.709 1.00 1.31 C ATOM 1276 CG LEU A 78 4.911 -10.885 -2.831 1.00 72.51 C ATOM 1277 CD1 LEU A 78 5.459 -9.898 -1.800 1.00 64.31 C ATOM 1278 CD2 LEU A 78 4.399 -12.171 -2.155 1.00 4.41 C ATOM 0 H LEU A 78 5.105 -10.970 -5.767 1.00 23.11 H new ATOM 0 HA LEU A 78 2.756 -12.020 -4.381 1.00 32.01 H new ATOM 0 HB2 LEU A 78 4.208 -9.335 -4.167 1.00 1.31 H new ATOM 0 HB3 LEU A 78 2.983 -9.929 -3.063 1.00 1.31 H new ATOM 0 HG LEU A 78 5.735 -11.158 -3.490 1.00 72.51 H new ATOM 0 HD11 LEU A 78 6.231 -10.385 -1.204 1.00 64.31 H new ATOM 0 HD12 LEU A 78 5.887 -9.036 -2.313 1.00 64.31 H new ATOM 0 HD13 LEU A 78 4.651 -9.568 -1.147 1.00 64.31 H new ATOM 0 HD21 LEU A 78 5.193 -12.603 -1.547 1.00 4.41 H new ATOM 0 HD22 LEU A 78 3.545 -11.933 -1.521 1.00 4.41 H new ATOM 0 HD23 LEU A 78 4.096 -12.888 -2.918 1.00 4.41 H new ATOM 1290 N ARG A 79 1.005 -10.286 -5.037 1.00 34.20 N ATOM 1291 CA ARG A 79 -0.085 -9.461 -5.545 1.00 70.14 C ATOM 1292 C ARG A 79 0.195 -8.025 -5.064 1.00 24.14 C ATOM 1293 O ARG A 79 -0.076 -7.703 -3.913 1.00 31.23 O ATOM 1294 CB ARG A 79 -1.453 -10.012 -5.004 1.00 52.13 C ATOM 1295 CG ARG A 79 -2.698 -9.682 -5.863 1.00 24.24 C ATOM 1296 CD ARG A 79 -3.046 -8.182 -5.917 1.00 61.22 C ATOM 1297 NE ARG A 79 -4.081 -7.909 -6.915 1.00 13.12 N ATOM 1298 CZ ARG A 79 -4.333 -6.718 -7.458 1.00 63.55 C ATOM 1299 NH1 ARG A 79 -3.655 -5.635 -7.106 1.00 21.14 N ATOM 1300 NH2 ARG A 79 -5.248 -6.623 -8.387 1.00 72.04 N ATOM 0 H ARG A 79 0.773 -10.779 -4.175 1.00 34.20 H new ATOM 0 HA ARG A 79 -0.148 -9.478 -6.633 1.00 70.14 H new ATOM 0 HB2 ARG A 79 -1.376 -11.095 -4.911 1.00 52.13 H new ATOM 0 HB3 ARG A 79 -1.612 -9.616 -4.001 1.00 52.13 H new ATOM 0 HG2 ARG A 79 -2.531 -10.042 -6.878 1.00 24.24 H new ATOM 0 HG3 ARG A 79 -3.554 -10.229 -5.468 1.00 24.24 H new ATOM 0 HD2 ARG A 79 -3.388 -7.851 -4.936 1.00 61.22 H new ATOM 0 HD3 ARG A 79 -2.150 -7.608 -6.153 1.00 61.22 H new ATOM 0 HE ARG A 79 -4.656 -8.694 -7.220 1.00 13.12 H new ATOM 0 HH11 ARG A 79 -2.919 -5.700 -6.403 1.00 21.14 H new ATOM 0 HH12 ARG A 79 -3.869 -4.736 -7.538 1.00 21.14 H new ATOM 0 HH21 ARG A 79 -5.758 -7.454 -8.687 1.00 72.04 H new ATOM 0 HH22 ARG A 79 -5.452 -5.718 -8.812 1.00 72.04 H new ATOM 1314 N VAL A 80 0.740 -7.172 -5.941 1.00 23.03 N ATOM 1315 CA VAL A 80 1.232 -5.833 -5.554 1.00 30.33 C ATOM 1316 C VAL A 80 0.213 -4.783 -6.016 1.00 54.33 C ATOM 1317 O VAL A 80 -0.123 -4.706 -7.203 1.00 24.02 O ATOM 1318 CB VAL A 80 2.648 -5.500 -6.164 1.00 64.13 C ATOM 1319 CG1 VAL A 80 3.283 -4.267 -5.459 1.00 74.51 C ATOM 1320 CG2 VAL A 80 3.583 -6.727 -6.112 1.00 4.24 C ATOM 0 H VAL A 80 0.854 -7.383 -6.932 1.00 23.03 H new ATOM 0 HA VAL A 80 1.345 -5.821 -4.470 1.00 30.33 H new ATOM 0 HB VAL A 80 2.508 -5.243 -7.214 1.00 64.13 H new ATOM 0 HG11 VAL A 80 4.259 -4.059 -5.899 1.00 74.51 H new ATOM 0 HG12 VAL A 80 2.635 -3.400 -5.588 1.00 74.51 H new ATOM 0 HG13 VAL A 80 3.401 -4.477 -4.396 1.00 74.51 H new ATOM 0 HG21 VAL A 80 4.551 -6.465 -6.540 1.00 4.24 H new ATOM 0 HG22 VAL A 80 3.716 -7.039 -5.076 1.00 4.24 H new ATOM 0 HG23 VAL A 80 3.143 -7.544 -6.683 1.00 4.24 H new ATOM 1330 N LEU A 81 -0.286 -4.011 -5.051 1.00 1.13 N ATOM 1331 CA LEU A 81 -1.348 -3.026 -5.246 1.00 64.43 C ATOM 1332 C LEU A 81 -0.991 -1.753 -4.478 1.00 41.42 C ATOM 1333 O LEU A 81 -0.995 -1.763 -3.263 1.00 22.20 O ATOM 1334 CB LEU A 81 -2.682 -3.639 -4.740 1.00 72.44 C ATOM 1335 CG LEU A 81 -3.972 -2.779 -4.890 1.00 60.32 C ATOM 1336 CD1 LEU A 81 -4.119 -2.226 -6.304 1.00 4.11 C ATOM 1337 CD2 LEU A 81 -5.223 -3.586 -4.468 1.00 72.33 C ATOM 0 H LEU A 81 0.046 -4.055 -4.088 1.00 1.13 H new ATOM 0 HA LEU A 81 -1.459 -2.767 -6.299 1.00 64.43 H new ATOM 0 HB2 LEU A 81 -2.842 -4.579 -5.268 1.00 72.44 H new ATOM 0 HB3 LEU A 81 -2.561 -3.883 -3.684 1.00 72.44 H new ATOM 0 HG LEU A 81 -3.880 -1.925 -4.220 1.00 60.32 H new ATOM 0 HD11 LEU A 81 -5.030 -1.632 -6.369 1.00 4.11 H new ATOM 0 HD12 LEU A 81 -3.259 -1.599 -6.541 1.00 4.11 H new ATOM 0 HD13 LEU A 81 -4.173 -3.051 -7.014 1.00 4.11 H new ATOM 0 HD21 LEU A 81 -6.112 -2.965 -4.581 1.00 72.33 H new ATOM 0 HD22 LEU A 81 -5.315 -4.470 -5.099 1.00 72.33 H new ATOM 0 HD23 LEU A 81 -5.124 -3.892 -3.426 1.00 72.33 H new ATOM 1349 N VAL A 82 -0.653 -0.664 -5.174 1.00 41.53 N ATOM 1350 CA VAL A 82 -0.391 0.631 -4.514 1.00 52.14 C ATOM 1351 C VAL A 82 -1.630 1.514 -4.690 1.00 30.02 C ATOM 1352 O VAL A 82 -1.935 1.937 -5.800 1.00 14.10 O ATOM 1353 CB VAL A 82 0.890 1.332 -5.109 1.00 24.44 C ATOM 1354 CG1 VAL A 82 1.174 2.701 -4.427 1.00 51.43 C ATOM 1355 CG2 VAL A 82 2.117 0.393 -5.019 1.00 65.04 C ATOM 0 H VAL A 82 -0.553 -0.646 -6.189 1.00 41.53 H new ATOM 0 HA VAL A 82 -0.195 0.468 -3.454 1.00 52.14 H new ATOM 0 HB VAL A 82 0.694 1.538 -6.161 1.00 24.44 H new ATOM 0 HG11 VAL A 82 2.065 3.149 -4.867 1.00 51.43 H new ATOM 0 HG12 VAL A 82 0.323 3.365 -4.576 1.00 51.43 H new ATOM 0 HG13 VAL A 82 1.334 2.549 -3.359 1.00 51.43 H new ATOM 0 HG21 VAL A 82 2.991 0.895 -5.435 1.00 65.04 H new ATOM 0 HG22 VAL A 82 2.306 0.140 -3.976 1.00 65.04 H new ATOM 0 HG23 VAL A 82 1.920 -0.519 -5.583 1.00 65.04 H new ATOM 1365 N ILE A 83 -2.345 1.782 -3.593 1.00 35.33 N ATOM 1366 CA ILE A 83 -3.561 2.611 -3.599 1.00 14.01 C ATOM 1367 C ILE A 83 -3.220 3.955 -2.957 1.00 52.03 C ATOM 1368 O ILE A 83 -2.991 4.027 -1.753 1.00 54.25 O ATOM 1369 CB ILE A 83 -4.730 1.914 -2.815 1.00 64.20 C ATOM 1370 CG1 ILE A 83 -5.088 0.553 -3.485 1.00 22.30 C ATOM 1371 CG2 ILE A 83 -5.983 2.832 -2.711 1.00 31.44 C ATOM 1372 CD1 ILE A 83 -6.050 -0.303 -2.690 1.00 34.31 C ATOM 0 H ILE A 83 -2.097 1.429 -2.669 1.00 35.33 H new ATOM 0 HA ILE A 83 -3.900 2.753 -4.625 1.00 14.01 H new ATOM 0 HB ILE A 83 -4.387 1.725 -1.798 1.00 64.20 H new ATOM 0 HG12 ILE A 83 -5.521 0.748 -4.466 1.00 22.30 H new ATOM 0 HG13 ILE A 83 -4.169 -0.010 -3.648 1.00 22.30 H new ATOM 0 HG21 ILE A 83 -6.769 2.314 -2.162 1.00 31.44 H new ATOM 0 HG22 ILE A 83 -5.719 3.750 -2.186 1.00 31.44 H new ATOM 0 HG23 ILE A 83 -6.340 3.076 -3.712 1.00 31.44 H new ATOM 0 HD11 ILE A 83 -6.243 -1.230 -3.230 1.00 34.31 H new ATOM 0 HD12 ILE A 83 -5.614 -0.533 -1.718 1.00 34.31 H new ATOM 0 HD13 ILE A 83 -6.986 0.237 -2.549 1.00 34.31 H new ATOM 1384 N LYS A 84 -3.189 5.014 -3.755 1.00 13.05 N ATOM 1385 CA LYS A 84 -2.665 6.311 -3.314 1.00 5.45 C ATOM 1386 C LYS A 84 -3.604 7.446 -3.722 1.00 1.34 C ATOM 1387 O LYS A 84 -4.105 7.486 -4.852 1.00 24.24 O ATOM 1388 CB LYS A 84 -1.251 6.509 -3.892 1.00 60.13 C ATOM 1389 CG LYS A 84 -1.155 6.365 -5.418 1.00 42.32 C ATOM 1390 CD LYS A 84 0.298 6.499 -5.911 1.00 2.25 C ATOM 1391 CE LYS A 84 0.374 6.633 -7.429 1.00 32.33 C ATOM 1392 NZ LYS A 84 1.757 6.942 -7.868 1.00 0.24 N ATOM 0 H LYS A 84 -3.522 5.005 -4.719 1.00 13.05 H new ATOM 0 HA LYS A 84 -2.603 6.326 -2.226 1.00 5.45 H new ATOM 0 HB2 LYS A 84 -0.894 7.500 -3.611 1.00 60.13 H new ATOM 0 HB3 LYS A 84 -0.580 5.785 -3.430 1.00 60.13 H new ATOM 0 HG2 LYS A 84 -1.554 5.396 -5.718 1.00 42.32 H new ATOM 0 HG3 LYS A 84 -1.773 7.125 -5.895 1.00 42.32 H new ATOM 0 HD2 LYS A 84 0.760 7.370 -5.446 1.00 2.25 H new ATOM 0 HD3 LYS A 84 0.871 5.627 -5.594 1.00 2.25 H new ATOM 0 HE2 LYS A 84 0.039 5.707 -7.896 1.00 32.33 H new ATOM 0 HE3 LYS A 84 -0.301 7.421 -7.762 1.00 32.33 H new ATOM 0 HZ1 LYS A 84 1.742 7.758 -8.513 1.00 0.24 H new ATOM 0 HZ2 LYS A 84 2.342 7.167 -7.038 1.00 0.24 H new ATOM 0 HZ3 LYS A 84 2.157 6.118 -8.361 1.00 0.24 H new ATOM 1406 N VAL A 85 -3.838 8.359 -2.777 1.00 24.24 N ATOM 1407 CA VAL A 85 -4.775 9.459 -2.934 1.00 63.02 C ATOM 1408 C VAL A 85 -4.058 10.696 -3.502 1.00 32.22 C ATOM 1409 O VAL A 85 -3.316 11.384 -2.784 1.00 24.41 O ATOM 1410 CB VAL A 85 -5.461 9.817 -1.557 1.00 11.34 C ATOM 1411 CG1 VAL A 85 -6.525 10.924 -1.730 1.00 30.40 C ATOM 1412 CG2 VAL A 85 -6.069 8.564 -0.878 1.00 73.20 C ATOM 0 H VAL A 85 -3.372 8.349 -1.870 1.00 24.24 H new ATOM 0 HA VAL A 85 -5.550 9.145 -3.633 1.00 63.02 H new ATOM 0 HB VAL A 85 -4.681 10.201 -0.899 1.00 11.34 H new ATOM 0 HG11 VAL A 85 -6.978 11.147 -0.764 1.00 30.40 H new ATOM 0 HG12 VAL A 85 -6.053 11.823 -2.126 1.00 30.40 H new ATOM 0 HG13 VAL A 85 -7.295 10.583 -2.422 1.00 30.40 H new ATOM 0 HG21 VAL A 85 -6.532 8.850 0.066 1.00 73.20 H new ATOM 0 HG22 VAL A 85 -6.822 8.125 -1.532 1.00 73.20 H new ATOM 0 HG23 VAL A 85 -5.282 7.834 -0.690 1.00 73.20 H new ATOM 1422 N ALA A 86 -4.276 10.947 -4.799 1.00 43.15 N ATOM 1423 CA ALA A 86 -3.779 12.143 -5.479 1.00 14.43 C ATOM 1424 C ALA A 86 -4.745 13.311 -5.243 1.00 13.23 C ATOM 1425 O ALA A 86 -5.734 13.471 -5.972 1.00 11.11 O ATOM 1426 CB ALA A 86 -3.595 11.870 -6.977 1.00 42.30 C ATOM 0 H ALA A 86 -4.805 10.321 -5.406 1.00 43.15 H new ATOM 0 HA ALA A 86 -2.805 12.411 -5.069 1.00 14.43 H new ATOM 0 HB1 ALA A 86 -3.225 12.770 -7.468 1.00 42.30 H new ATOM 0 HB2 ALA A 86 -2.878 11.061 -7.114 1.00 42.30 H new ATOM 0 HB3 ALA A 86 -4.552 11.585 -7.415 1.00 42.30 H new ATOM 1432 N GLN A 87 -4.488 14.068 -4.170 1.00 71.43 N ATOM 1433 CA GLN A 87 -5.192 15.326 -3.896 1.00 54.42 C ATOM 1434 C GLN A 87 -4.695 16.390 -4.893 1.00 60.23 C ATOM 1435 O GLN A 87 -5.471 16.932 -5.689 1.00 62.15 O ATOM 1436 CB GLN A 87 -4.939 15.781 -2.432 1.00 31.05 C ATOM 1437 CG GLN A 87 -5.500 14.832 -1.345 1.00 32.22 C ATOM 1438 CD GLN A 87 -7.028 14.784 -1.305 1.00 13.32 C ATOM 1439 OE1 GLN A 87 -7.666 13.967 -1.967 1.00 31.33 O ATOM 1440 NE2 GLN A 87 -7.633 15.675 -0.533 1.00 42.32 N ATOM 0 H GLN A 87 -3.788 13.826 -3.469 1.00 71.43 H new ATOM 0 HA GLN A 87 -6.266 15.186 -4.017 1.00 54.42 H new ATOM 0 HB2 GLN A 87 -3.865 15.887 -2.281 1.00 31.05 H new ATOM 0 HB3 GLN A 87 -5.379 16.768 -2.293 1.00 31.05 H new ATOM 0 HG2 GLN A 87 -5.117 13.826 -1.520 1.00 32.22 H new ATOM 0 HG3 GLN A 87 -5.129 15.149 -0.370 1.00 32.22 H new ATOM 0 HE21 GLN A 87 -7.080 16.342 0.006 1.00 42.32 H new ATOM 0 HE22 GLN A 87 -8.651 15.694 -0.478 1.00 42.32 H new ATOM 1449 N ASP A 88 -3.371 16.620 -4.864 1.00 44.41 N ATOM 1450 CA ASP A 88 -2.674 17.572 -5.748 1.00 5.02 C ATOM 1451 C ASP A 88 -1.203 17.131 -5.845 1.00 74.41 C ATOM 1452 O ASP A 88 -0.339 17.630 -5.118 1.00 43.43 O ATOM 1453 CB ASP A 88 -2.811 19.037 -5.214 1.00 74.32 C ATOM 1454 CG ASP A 88 -2.118 20.096 -6.101 1.00 61.14 C ATOM 1455 OD1 ASP A 88 -2.725 20.545 -7.104 1.00 24.03 O ATOM 1456 OD2 ASP A 88 -0.966 20.493 -5.799 1.00 23.33 O ATOM 0 H ASP A 88 -2.745 16.143 -4.216 1.00 44.41 H new ATOM 0 HA ASP A 88 -3.122 17.568 -6.742 1.00 5.02 H new ATOM 0 HB2 ASP A 88 -3.869 19.285 -5.130 1.00 74.32 H new ATOM 0 HB3 ASP A 88 -2.391 19.088 -4.210 1.00 74.32 H new ATOM 1461 N GLN A 89 -0.936 16.122 -6.694 1.00 74.22 N ATOM 1462 CA GLN A 89 0.400 15.494 -6.816 1.00 25.02 C ATOM 1463 C GLN A 89 0.703 15.152 -8.293 1.00 20.24 C ATOM 1464 O GLN A 89 0.211 14.145 -8.822 1.00 64.43 O ATOM 1465 CB GLN A 89 0.476 14.210 -5.939 1.00 42.21 C ATOM 1466 CG GLN A 89 0.449 14.429 -4.415 1.00 74.34 C ATOM 1467 CD GLN A 89 0.501 13.111 -3.637 1.00 15.31 C ATOM 1468 OE1 GLN A 89 -0.532 12.545 -3.273 1.00 42.24 O ATOM 1469 NE2 GLN A 89 1.700 12.599 -3.401 1.00 35.00 N ATOM 0 H GLN A 89 -1.636 15.717 -7.315 1.00 74.22 H new ATOM 0 HA GLN A 89 1.149 16.203 -6.463 1.00 25.02 H new ATOM 0 HB2 GLN A 89 -0.358 13.561 -6.207 1.00 42.21 H new ATOM 0 HB3 GLN A 89 1.391 13.675 -6.193 1.00 42.21 H new ATOM 0 HG2 GLN A 89 1.294 15.053 -4.125 1.00 74.34 H new ATOM 0 HG3 GLN A 89 -0.456 14.973 -4.144 1.00 74.34 H new ATOM 0 HE21 GLN A 89 2.536 13.092 -3.715 1.00 35.00 H new ATOM 0 HE22 GLN A 89 1.787 11.712 -2.905 1.00 35.00 H new ATOM 1478 N GLU A 90 1.491 16.020 -8.950 1.00 65.02 N ATOM 1479 CA GLU A 90 1.970 15.809 -10.330 1.00 62.24 C ATOM 1480 C GLU A 90 3.102 14.758 -10.360 1.00 12.22 C ATOM 1481 O GLU A 90 3.168 13.924 -11.270 1.00 2.13 O ATOM 1482 CB GLU A 90 2.467 17.152 -10.941 1.00 61.32 C ATOM 1483 CG GLU A 90 2.872 17.055 -12.428 1.00 2.00 C ATOM 1484 CD GLU A 90 3.568 18.315 -12.961 1.00 13.05 C ATOM 1485 OE1 GLU A 90 2.886 19.245 -13.434 1.00 12.42 O ATOM 1486 OE2 GLU A 90 4.808 18.386 -12.897 1.00 13.30 O ATOM 0 H GLU A 90 1.817 16.894 -8.537 1.00 65.02 H new ATOM 0 HA GLU A 90 1.138 15.437 -10.928 1.00 62.24 H new ATOM 0 HB2 GLU A 90 1.680 17.899 -10.838 1.00 61.32 H new ATOM 0 HB3 GLU A 90 3.322 17.507 -10.365 1.00 61.32 H new ATOM 0 HG2 GLU A 90 3.536 16.201 -12.560 1.00 2.00 H new ATOM 0 HG3 GLU A 90 1.982 16.862 -13.026 1.00 2.00 H new ATOM 1493 N LEU A 91 3.986 14.813 -9.340 1.00 10.54 N ATOM 1494 CA LEU A 91 5.164 13.914 -9.211 1.00 10.21 C ATOM 1495 C LEU A 91 4.714 12.443 -9.078 1.00 60.42 C ATOM 1496 O LEU A 91 5.363 11.519 -9.584 1.00 44.14 O ATOM 1497 CB LEU A 91 6.052 14.326 -7.989 1.00 2.22 C ATOM 1498 CG LEU A 91 6.874 15.668 -8.111 1.00 41.21 C ATOM 1499 CD1 LEU A 91 5.970 16.917 -8.198 1.00 42.54 C ATOM 1500 CD2 LEU A 91 7.886 15.801 -6.946 1.00 32.14 C ATOM 0 H LEU A 91 3.906 15.485 -8.576 1.00 10.54 H new ATOM 0 HA LEU A 91 5.763 14.013 -10.116 1.00 10.21 H new ATOM 0 HB2 LEU A 91 5.407 14.404 -7.114 1.00 2.22 H new ATOM 0 HB3 LEU A 91 6.755 13.516 -7.795 1.00 2.22 H new ATOM 0 HG LEU A 91 7.424 15.614 -9.050 1.00 41.21 H new ATOM 0 HD11 LEU A 91 6.590 17.810 -8.280 1.00 42.54 H new ATOM 0 HD12 LEU A 91 5.326 16.840 -9.074 1.00 42.54 H new ATOM 0 HD13 LEU A 91 5.355 16.984 -7.301 1.00 42.54 H new ATOM 0 HD21 LEU A 91 8.441 16.733 -7.051 1.00 32.14 H new ATOM 0 HD22 LEU A 91 7.350 15.803 -5.997 1.00 32.14 H new ATOM 0 HD23 LEU A 91 8.580 14.961 -6.969 1.00 32.14 H new ATOM 1512 N LEU A 92 3.571 12.275 -8.415 1.00 23.45 N ATOM 1513 CA LEU A 92 2.909 10.985 -8.186 1.00 44.03 C ATOM 1514 C LEU A 92 2.555 10.265 -9.511 1.00 22.32 C ATOM 1515 O LEU A 92 2.558 9.029 -9.560 1.00 70.43 O ATOM 1516 CB LEU A 92 1.666 11.269 -7.283 1.00 44.55 C ATOM 1517 CG LEU A 92 0.506 10.212 -7.192 1.00 44.52 C ATOM 1518 CD1 LEU A 92 -0.226 10.298 -5.829 1.00 14.40 C ATOM 1519 CD2 LEU A 92 -0.518 10.384 -8.348 1.00 1.31 C ATOM 0 H LEU A 92 3.060 13.058 -8.007 1.00 23.45 H new ATOM 0 HA LEU A 92 3.578 10.289 -7.680 1.00 44.03 H new ATOM 0 HB2 LEU A 92 2.032 11.437 -6.270 1.00 44.55 H new ATOM 0 HB3 LEU A 92 1.225 12.206 -7.623 1.00 44.55 H new ATOM 0 HG LEU A 92 0.967 9.229 -7.283 1.00 44.52 H new ATOM 0 HD11 LEU A 92 -1.023 9.555 -5.796 1.00 14.40 H new ATOM 0 HD12 LEU A 92 0.482 10.106 -5.023 1.00 14.40 H new ATOM 0 HD13 LEU A 92 -0.653 11.293 -5.708 1.00 14.40 H new ATOM 0 HD21 LEU A 92 -1.305 9.636 -8.251 1.00 1.31 H new ATOM 0 HD22 LEU A 92 -0.957 11.381 -8.300 1.00 1.31 H new ATOM 0 HD23 LEU A 92 -0.012 10.256 -9.305 1.00 1.31 H new ATOM 1531 N GLU A 93 2.240 11.049 -10.573 1.00 52.14 N ATOM 1532 CA GLU A 93 1.839 10.511 -11.897 1.00 12.41 C ATOM 1533 C GLU A 93 2.991 9.722 -12.556 1.00 41.41 C ATOM 1534 O GLU A 93 2.752 8.687 -13.176 1.00 71.53 O ATOM 1535 CB GLU A 93 1.382 11.644 -12.846 1.00 64.11 C ATOM 1536 CG GLU A 93 0.195 12.482 -12.333 1.00 62.40 C ATOM 1537 CD GLU A 93 -0.183 13.586 -13.329 1.00 61.33 C ATOM 1538 OE1 GLU A 93 0.510 14.622 -13.372 1.00 4.22 O ATOM 1539 OE2 GLU A 93 -1.128 13.397 -14.120 1.00 63.33 O ATOM 0 H GLU A 93 2.257 12.068 -10.536 1.00 52.14 H new ATOM 0 HA GLU A 93 1.003 9.834 -11.725 1.00 12.41 H new ATOM 0 HB2 GLU A 93 2.226 12.309 -13.027 1.00 64.11 H new ATOM 0 HB3 GLU A 93 1.110 11.206 -13.806 1.00 64.11 H new ATOM 0 HG2 GLU A 93 -0.664 11.833 -12.164 1.00 62.40 H new ATOM 0 HG3 GLU A 93 0.451 12.929 -11.372 1.00 62.40 H new ATOM 1546 N ARG A 94 4.233 10.226 -12.402 1.00 41.45 N ATOM 1547 CA ARG A 94 5.448 9.583 -12.958 1.00 2.52 C ATOM 1548 C ARG A 94 5.645 8.185 -12.344 1.00 1.32 C ATOM 1549 O ARG A 94 5.914 7.205 -13.057 1.00 0.13 O ATOM 1550 CB ARG A 94 6.697 10.465 -12.688 1.00 65.02 C ATOM 1551 CG ARG A 94 8.036 9.895 -13.227 1.00 22.44 C ATOM 1552 CD ARG A 94 9.265 10.693 -12.750 1.00 54.43 C ATOM 1553 NE ARG A 94 9.393 10.689 -11.278 1.00 62.34 N ATOM 1554 CZ ARG A 94 10.390 11.263 -10.579 1.00 34.20 C ATOM 1555 NH1 ARG A 94 11.387 11.903 -11.191 1.00 44.23 N ATOM 1556 NH2 ARG A 94 10.379 11.187 -9.254 1.00 15.54 N ATOM 0 H ARG A 94 4.425 11.088 -11.891 1.00 41.45 H new ATOM 0 HA ARG A 94 5.320 9.477 -14.035 1.00 2.52 H new ATOM 0 HB2 ARG A 94 6.533 11.446 -13.133 1.00 65.02 H new ATOM 0 HB3 ARG A 94 6.791 10.615 -11.612 1.00 65.02 H new ATOM 0 HG2 ARG A 94 8.137 8.857 -12.909 1.00 22.44 H new ATOM 0 HG3 ARG A 94 8.011 9.893 -14.317 1.00 22.44 H new ATOM 0 HD2 ARG A 94 10.166 10.269 -13.193 1.00 54.43 H new ATOM 0 HD3 ARG A 94 9.189 11.721 -13.104 1.00 54.43 H new ATOM 0 HE ARG A 94 8.665 10.211 -10.747 1.00 62.34 H new ATOM 0 HH11 ARG A 94 11.404 11.965 -12.209 1.00 44.23 H new ATOM 0 HH12 ARG A 94 12.132 12.331 -10.641 1.00 44.23 H new ATOM 0 HH21 ARG A 94 9.621 10.698 -8.777 1.00 15.54 H new ATOM 0 HH22 ARG A 94 11.128 11.618 -8.712 1.00 15.54 H new ATOM 1570 N PHE A 95 5.478 8.127 -11.007 1.00 1.01 N ATOM 1571 CA PHE A 95 5.579 6.885 -10.232 1.00 41.42 C ATOM 1572 C PHE A 95 4.465 5.909 -10.649 1.00 14.01 C ATOM 1573 O PHE A 95 4.717 4.730 -10.868 1.00 70.54 O ATOM 1574 CB PHE A 95 5.496 7.205 -8.714 1.00 4.24 C ATOM 1575 CG PHE A 95 5.658 5.984 -7.809 1.00 72.04 C ATOM 1576 CD1 PHE A 95 6.924 5.502 -7.496 1.00 10.15 C ATOM 1577 CD2 PHE A 95 4.550 5.295 -7.300 1.00 21.21 C ATOM 1578 CE1 PHE A 95 7.079 4.388 -6.702 1.00 14.14 C ATOM 1579 CE2 PHE A 95 4.710 4.178 -6.512 1.00 41.33 C ATOM 1580 CZ PHE A 95 5.975 3.724 -6.219 1.00 51.20 C ATOM 0 H PHE A 95 5.269 8.947 -10.437 1.00 1.01 H new ATOM 0 HA PHE A 95 6.539 6.411 -10.434 1.00 41.42 H new ATOM 0 HB2 PHE A 95 6.267 7.934 -8.465 1.00 4.24 H new ATOM 0 HB3 PHE A 95 4.535 7.674 -8.505 1.00 4.24 H new ATOM 0 HD1 PHE A 95 7.797 6.008 -7.881 1.00 10.15 H new ATOM 0 HD2 PHE A 95 3.555 5.646 -7.529 1.00 21.21 H new ATOM 0 HE1 PHE A 95 8.070 4.034 -6.458 1.00 14.14 H new ATOM 0 HE2 PHE A 95 3.845 3.660 -6.125 1.00 41.33 H new ATOM 0 HZ PHE A 95 6.102 2.843 -5.607 1.00 51.20 H new ATOM 1590 N TYR A 96 3.246 6.450 -10.786 1.00 22.51 N ATOM 1591 CA TYR A 96 2.042 5.687 -11.158 1.00 13.44 C ATOM 1592 C TYR A 96 2.248 4.973 -12.508 1.00 63.51 C ATOM 1593 O TYR A 96 2.110 3.753 -12.600 1.00 5.42 O ATOM 1594 CB TYR A 96 0.839 6.672 -11.215 1.00 61.30 C ATOM 1595 CG TYR A 96 -0.467 6.085 -11.758 1.00 75.33 C ATOM 1596 CD1 TYR A 96 -1.189 5.154 -11.022 1.00 13.34 C ATOM 1597 CD2 TYR A 96 -0.978 6.471 -12.997 1.00 24.21 C ATOM 1598 CE1 TYR A 96 -2.363 4.624 -11.499 1.00 30.41 C ATOM 1599 CE2 TYR A 96 -2.154 5.941 -13.480 1.00 62.34 C ATOM 1600 CZ TYR A 96 -2.849 5.020 -12.725 1.00 44.41 C ATOM 1601 OH TYR A 96 -4.028 4.486 -13.207 1.00 53.34 O ATOM 0 H TYR A 96 3.064 7.443 -10.640 1.00 22.51 H new ATOM 0 HA TYR A 96 1.842 4.914 -10.416 1.00 13.44 H new ATOM 0 HB2 TYR A 96 0.656 7.053 -10.210 1.00 61.30 H new ATOM 0 HB3 TYR A 96 1.119 7.525 -11.834 1.00 61.30 H new ATOM 0 HD1 TYR A 96 -0.820 4.841 -10.056 1.00 13.34 H new ATOM 0 HD2 TYR A 96 -0.442 7.199 -13.588 1.00 24.21 H new ATOM 0 HE1 TYR A 96 -2.905 3.897 -10.913 1.00 30.41 H new ATOM 0 HE2 TYR A 96 -2.530 6.245 -14.446 1.00 62.34 H new ATOM 0 HH TYR A 96 -4.228 4.874 -14.084 1.00 53.34 H new ATOM 1611 N GLU A 97 2.669 5.765 -13.507 1.00 3.13 N ATOM 1612 CA GLU A 97 2.822 5.342 -14.913 1.00 63.54 C ATOM 1613 C GLU A 97 3.901 4.253 -15.048 1.00 1.12 C ATOM 1614 O GLU A 97 3.800 3.365 -15.910 1.00 75.53 O ATOM 1615 CB GLU A 97 3.170 6.586 -15.771 1.00 65.41 C ATOM 1616 CG GLU A 97 3.232 6.332 -17.292 1.00 31.34 C ATOM 1617 CD GLU A 97 3.471 7.618 -18.105 1.00 52.21 C ATOM 1618 OE1 GLU A 97 2.512 8.396 -18.296 1.00 71.25 O ATOM 1619 OE2 GLU A 97 4.613 7.873 -18.534 1.00 42.24 O ATOM 0 H GLU A 97 2.919 6.743 -13.358 1.00 3.13 H new ATOM 0 HA GLU A 97 1.887 4.908 -15.267 1.00 63.54 H new ATOM 0 HB2 GLU A 97 2.429 7.361 -15.577 1.00 65.41 H new ATOM 0 HB3 GLU A 97 4.133 6.977 -15.443 1.00 65.41 H new ATOM 0 HG2 GLU A 97 4.030 5.620 -17.504 1.00 31.34 H new ATOM 0 HG3 GLU A 97 2.299 5.871 -17.617 1.00 31.34 H new ATOM 1626 N GLN A 98 4.913 4.327 -14.158 1.00 32.24 N ATOM 1627 CA GLN A 98 6.020 3.367 -14.108 1.00 2.53 C ATOM 1628 C GLN A 98 5.511 1.957 -13.733 1.00 45.40 C ATOM 1629 O GLN A 98 5.785 1.001 -14.452 1.00 60.23 O ATOM 1630 CB GLN A 98 7.110 3.849 -13.105 1.00 32.52 C ATOM 1631 CG GLN A 98 8.335 2.909 -12.960 1.00 60.50 C ATOM 1632 CD GLN A 98 9.020 2.598 -14.296 1.00 2.43 C ATOM 1633 OE1 GLN A 98 9.911 3.322 -14.739 1.00 63.32 O ATOM 1634 NE2 GLN A 98 8.628 1.503 -14.938 1.00 64.11 N ATOM 0 H GLN A 98 4.979 5.061 -13.453 1.00 32.24 H new ATOM 0 HA GLN A 98 6.468 3.307 -15.100 1.00 2.53 H new ATOM 0 HB2 GLN A 98 7.461 4.832 -13.419 1.00 32.52 H new ATOM 0 HB3 GLN A 98 6.650 3.974 -12.125 1.00 32.52 H new ATOM 0 HG2 GLN A 98 9.059 3.368 -12.286 1.00 60.50 H new ATOM 0 HG3 GLN A 98 8.015 1.975 -12.497 1.00 60.50 H new ATOM 0 HE21 GLN A 98 7.887 0.921 -14.548 1.00 64.11 H new ATOM 0 HE22 GLN A 98 9.068 1.244 -15.821 1.00 64.11 H new ATOM 1643 N LEU A 99 4.746 1.850 -12.630 1.00 44.34 N ATOM 1644 CA LEU A 99 4.229 0.544 -12.135 1.00 12.32 C ATOM 1645 C LEU A 99 3.213 -0.052 -13.127 1.00 2.40 C ATOM 1646 O LEU A 99 3.144 -1.275 -13.302 1.00 40.20 O ATOM 1647 CB LEU A 99 3.592 0.686 -10.719 1.00 33.24 C ATOM 1648 CG LEU A 99 4.577 0.812 -9.503 1.00 65.04 C ATOM 1649 CD1 LEU A 99 5.513 2.020 -9.644 1.00 13.30 C ATOM 1650 CD2 LEU A 99 3.793 0.878 -8.180 1.00 64.21 C ATOM 0 H LEU A 99 4.468 2.648 -12.059 1.00 44.34 H new ATOM 0 HA LEU A 99 5.076 -0.138 -12.055 1.00 12.32 H new ATOM 0 HB2 LEU A 99 2.947 1.564 -10.725 1.00 33.24 H new ATOM 0 HB3 LEU A 99 2.951 -0.179 -10.548 1.00 33.24 H new ATOM 0 HG LEU A 99 5.204 -0.080 -9.495 1.00 65.04 H new ATOM 0 HD11 LEU A 99 6.177 2.069 -8.781 1.00 13.30 H new ATOM 0 HD12 LEU A 99 6.106 1.917 -10.553 1.00 13.30 H new ATOM 0 HD13 LEU A 99 4.922 2.934 -9.699 1.00 13.30 H new ATOM 0 HD21 LEU A 99 4.491 0.965 -7.347 1.00 64.21 H new ATOM 0 HD22 LEU A 99 3.132 1.745 -8.192 1.00 64.21 H new ATOM 0 HD23 LEU A 99 3.200 -0.029 -8.063 1.00 64.21 H new ATOM 1662 N LYS A 100 2.448 0.841 -13.782 1.00 11.11 N ATOM 1663 CA LYS A 100 1.487 0.466 -14.835 1.00 30.33 C ATOM 1664 C LYS A 100 2.220 -0.137 -16.053 1.00 3.24 C ATOM 1665 O LYS A 100 1.663 -0.978 -16.761 1.00 42.43 O ATOM 1666 CB LYS A 100 0.650 1.708 -15.244 1.00 32.35 C ATOM 1667 CG LYS A 100 -0.217 2.292 -14.100 1.00 5.41 C ATOM 1668 CD LYS A 100 -1.427 1.392 -13.695 1.00 54.31 C ATOM 1669 CE LYS A 100 -2.657 1.539 -14.614 1.00 60.12 C ATOM 1670 NZ LYS A 100 -2.396 1.157 -16.028 1.00 71.31 N ATOM 0 H LYS A 100 2.479 1.843 -13.596 1.00 11.11 H new ATOM 0 HA LYS A 100 0.812 -0.297 -14.447 1.00 30.33 H new ATOM 0 HB2 LYS A 100 1.324 2.484 -15.606 1.00 32.35 H new ATOM 0 HB3 LYS A 100 -0.000 1.437 -16.076 1.00 32.35 H new ATOM 0 HG2 LYS A 100 0.413 2.450 -13.225 1.00 5.41 H new ATOM 0 HG3 LYS A 100 -0.591 3.270 -14.404 1.00 5.41 H new ATOM 0 HD2 LYS A 100 -1.108 0.350 -13.697 1.00 54.31 H new ATOM 0 HD3 LYS A 100 -1.720 1.633 -12.673 1.00 54.31 H new ATOM 0 HE2 LYS A 100 -3.467 0.922 -14.224 1.00 60.12 H new ATOM 0 HE3 LYS A 100 -3.001 2.573 -14.584 1.00 60.12 H new ATOM 0 HZ1 LYS A 100 -3.296 0.935 -16.500 1.00 71.31 H new ATOM 0 HZ2 LYS A 100 -1.932 1.947 -16.521 1.00 71.31 H new ATOM 0 HZ3 LYS A 100 -1.777 0.322 -16.053 1.00 71.31 H new ATOM 1684 N LYS A 101 3.477 0.303 -16.273 1.00 3.13 N ATOM 1685 CA LYS A 101 4.361 -0.249 -17.313 1.00 44.42 C ATOM 1686 C LYS A 101 4.865 -1.650 -16.904 1.00 22.51 C ATOM 1687 O LYS A 101 4.837 -2.581 -17.717 1.00 55.45 O ATOM 1688 CB LYS A 101 5.557 0.709 -17.572 1.00 4.12 C ATOM 1689 CG LYS A 101 6.588 0.194 -18.607 1.00 24.42 C ATOM 1690 CD LYS A 101 7.755 1.175 -18.840 1.00 63.13 C ATOM 1691 CE LYS A 101 7.301 2.523 -19.424 1.00 10.01 C ATOM 1692 NZ LYS A 101 8.447 3.439 -19.662 1.00 32.43 N ATOM 0 H LYS A 101 3.905 1.053 -15.731 1.00 3.13 H new ATOM 0 HA LYS A 101 3.792 -0.346 -18.237 1.00 44.42 H new ATOM 0 HB2 LYS A 101 5.169 1.669 -17.913 1.00 4.12 H new ATOM 0 HB3 LYS A 101 6.070 0.890 -16.628 1.00 4.12 H new ATOM 0 HG2 LYS A 101 6.987 -0.762 -18.268 1.00 24.42 H new ATOM 0 HG3 LYS A 101 6.082 0.010 -19.554 1.00 24.42 H new ATOM 0 HD2 LYS A 101 8.269 1.350 -17.895 1.00 63.13 H new ATOM 0 HD3 LYS A 101 8.477 0.717 -19.516 1.00 63.13 H new ATOM 0 HE2 LYS A 101 6.772 2.353 -20.362 1.00 10.01 H new ATOM 0 HE3 LYS A 101 6.595 2.995 -18.741 1.00 10.01 H new ATOM 0 HZ1 LYS A 101 8.098 4.336 -20.056 1.00 32.43 H new ATOM 0 HZ2 LYS A 101 8.937 3.623 -18.763 1.00 32.43 H new ATOM 0 HZ3 LYS A 101 9.109 3.000 -20.334 1.00 32.43 H new ATOM 1706 N ASP A 102 5.310 -1.783 -15.631 1.00 13.22 N ATOM 1707 CA ASP A 102 5.815 -3.067 -15.076 1.00 72.42 C ATOM 1708 C ASP A 102 4.750 -4.176 -15.162 1.00 31.05 C ATOM 1709 O ASP A 102 5.050 -5.324 -15.500 1.00 34.03 O ATOM 1710 CB ASP A 102 6.260 -2.894 -13.594 1.00 71.42 C ATOM 1711 CG ASP A 102 7.535 -2.044 -13.431 1.00 12.11 C ATOM 1712 OD1 ASP A 102 8.647 -2.581 -13.651 1.00 20.23 O ATOM 1713 OD2 ASP A 102 7.442 -0.845 -13.093 1.00 5.32 O ATOM 0 H ASP A 102 5.330 -1.012 -14.964 1.00 13.22 H new ATOM 0 HA ASP A 102 6.674 -3.360 -15.679 1.00 72.42 H new ATOM 0 HB2 ASP A 102 5.450 -2.431 -13.031 1.00 71.42 H new ATOM 0 HB3 ASP A 102 6.430 -3.878 -13.157 1.00 71.42 H new ATOM 1718 N GLY A 103 3.494 -3.801 -14.885 1.00 3.11 N ATOM 1719 CA GLY A 103 2.383 -4.756 -14.764 1.00 53.23 C ATOM 1720 C GLY A 103 1.788 -4.739 -13.368 1.00 74.14 C ATOM 1721 O GLY A 103 0.731 -5.336 -13.132 1.00 42.44 O ATOM 0 H GLY A 103 3.219 -2.830 -14.739 1.00 3.11 H new ATOM 0 HA2 GLY A 103 1.611 -4.512 -15.493 1.00 53.23 H new ATOM 0 HA3 GLY A 103 2.737 -5.760 -14.998 1.00 53.23 H new ATOM 1725 N VAL A 104 2.486 -4.053 -12.448 1.00 32.55 N ATOM 1726 CA VAL A 104 2.062 -3.859 -11.059 1.00 64.31 C ATOM 1727 C VAL A 104 0.787 -3.002 -11.010 1.00 42.24 C ATOM 1728 O VAL A 104 0.738 -1.922 -11.620 1.00 61.22 O ATOM 1729 CB VAL A 104 3.202 -3.161 -10.228 1.00 40.34 C ATOM 1730 CG1 VAL A 104 2.740 -2.811 -8.791 1.00 4.34 C ATOM 1731 CG2 VAL A 104 4.471 -4.041 -10.215 1.00 62.03 C ATOM 0 H VAL A 104 3.380 -3.610 -12.658 1.00 32.55 H new ATOM 0 HA VAL A 104 1.855 -4.836 -10.622 1.00 64.31 H new ATOM 0 HB VAL A 104 3.443 -2.217 -10.717 1.00 40.34 H new ATOM 0 HG11 VAL A 104 3.557 -2.331 -8.253 1.00 4.34 H new ATOM 0 HG12 VAL A 104 1.888 -2.132 -8.838 1.00 4.34 H new ATOM 0 HG13 VAL A 104 2.449 -3.723 -8.270 1.00 4.34 H new ATOM 0 HG21 VAL A 104 5.251 -3.546 -9.637 1.00 62.03 H new ATOM 0 HG22 VAL A 104 4.240 -5.005 -9.762 1.00 62.03 H new ATOM 0 HG23 VAL A 104 4.818 -4.194 -11.237 1.00 62.03 H new ATOM 1741 N ASP A 105 -0.230 -3.498 -10.295 1.00 12.44 N ATOM 1742 CA ASP A 105 -1.487 -2.775 -10.112 1.00 72.21 C ATOM 1743 C ASP A 105 -1.242 -1.576 -9.184 1.00 71.45 C ATOM 1744 O ASP A 105 -0.790 -1.742 -8.051 1.00 33.45 O ATOM 1745 CB ASP A 105 -2.585 -3.695 -9.508 1.00 14.35 C ATOM 1746 CG ASP A 105 -4.029 -3.163 -9.644 1.00 2.44 C ATOM 1747 OD1 ASP A 105 -4.258 -2.069 -10.211 1.00 34.33 O ATOM 1748 OD2 ASP A 105 -4.952 -3.864 -9.182 1.00 32.30 O ATOM 0 H ASP A 105 -0.202 -4.406 -9.831 1.00 12.44 H new ATOM 0 HA ASP A 105 -1.838 -2.432 -11.085 1.00 72.21 H new ATOM 0 HB2 ASP A 105 -2.526 -4.671 -9.990 1.00 14.35 H new ATOM 0 HB3 ASP A 105 -2.368 -3.848 -8.451 1.00 14.35 H new ATOM 1753 N VAL A 106 -1.489 -0.382 -9.695 1.00 74.12 N ATOM 1754 CA VAL A 106 -1.465 0.851 -8.912 1.00 13.44 C ATOM 1755 C VAL A 106 -2.685 1.679 -9.311 1.00 1.01 C ATOM 1756 O VAL A 106 -3.027 1.768 -10.498 1.00 13.34 O ATOM 1757 CB VAL A 106 -0.116 1.647 -9.094 1.00 12.14 C ATOM 1758 CG1 VAL A 106 0.225 1.874 -10.574 1.00 51.05 C ATOM 1759 CG2 VAL A 106 -0.109 2.981 -8.304 1.00 23.53 C ATOM 0 H VAL A 106 -1.715 -0.235 -10.679 1.00 74.12 H new ATOM 0 HA VAL A 106 -1.512 0.615 -7.849 1.00 13.44 H new ATOM 0 HB VAL A 106 0.668 1.019 -8.671 1.00 12.14 H new ATOM 0 HG11 VAL A 106 1.162 2.426 -10.651 1.00 51.05 H new ATOM 0 HG12 VAL A 106 0.329 0.912 -11.075 1.00 51.05 H new ATOM 0 HG13 VAL A 106 -0.573 2.446 -11.048 1.00 51.05 H new ATOM 0 HG21 VAL A 106 0.841 3.492 -8.461 1.00 23.53 H new ATOM 0 HG22 VAL A 106 -0.924 3.615 -8.653 1.00 23.53 H new ATOM 0 HG23 VAL A 106 -0.239 2.775 -7.241 1.00 23.53 H new ATOM 1769 N ARG A 107 -3.369 2.223 -8.308 1.00 54.00 N ATOM 1770 CA ARG A 107 -4.547 3.055 -8.482 1.00 42.21 C ATOM 1771 C ARG A 107 -4.284 4.438 -7.904 1.00 43.23 C ATOM 1772 O ARG A 107 -3.623 4.575 -6.865 1.00 4.04 O ATOM 1773 CB ARG A 107 -5.762 2.425 -7.760 1.00 21.23 C ATOM 1774 CG ARG A 107 -6.231 1.074 -8.335 1.00 54.32 C ATOM 1775 CD ARG A 107 -7.481 0.543 -7.613 1.00 62.24 C ATOM 1776 NE ARG A 107 -8.609 1.502 -7.662 1.00 24.21 N ATOM 1777 CZ ARG A 107 -9.882 1.214 -7.361 1.00 14.10 C ATOM 1778 NH1 ARG A 107 -10.240 -0.012 -6.977 1.00 74.11 N ATOM 1779 NH2 ARG A 107 -10.798 2.164 -7.434 1.00 3.43 N ATOM 0 H ARG A 107 -3.110 2.092 -7.330 1.00 54.00 H new ATOM 0 HA ARG A 107 -4.766 3.133 -9.547 1.00 42.21 H new ATOM 0 HB2 ARG A 107 -5.510 2.288 -6.708 1.00 21.23 H new ATOM 0 HB3 ARG A 107 -6.594 3.128 -7.799 1.00 21.23 H new ATOM 0 HG2 ARG A 107 -6.447 1.188 -9.397 1.00 54.32 H new ATOM 0 HG3 ARG A 107 -5.426 0.344 -8.250 1.00 54.32 H new ATOM 0 HD2 ARG A 107 -7.788 -0.399 -8.068 1.00 62.24 H new ATOM 0 HD3 ARG A 107 -7.234 0.329 -6.573 1.00 62.24 H new ATOM 0 HE ARG A 107 -8.399 2.458 -7.948 1.00 24.21 H new ATOM 0 HH11 ARG A 107 -9.539 -0.750 -6.908 1.00 74.11 H new ATOM 0 HH12 ARG A 107 -11.215 -0.212 -6.752 1.00 74.11 H new ATOM 0 HH21 ARG A 107 -10.533 3.107 -7.718 1.00 3.43 H new ATOM 0 HH22 ARG A 107 -11.770 1.954 -7.207 1.00 3.43 H new ATOM 1793 N VAL A 108 -4.800 5.456 -8.595 1.00 40.41 N ATOM 1794 CA VAL A 108 -4.886 6.814 -8.063 1.00 21.14 C ATOM 1795 C VAL A 108 -6.351 7.087 -7.694 1.00 34.24 C ATOM 1796 O VAL A 108 -7.237 7.193 -8.559 1.00 5.13 O ATOM 1797 CB VAL A 108 -4.321 7.885 -9.080 1.00 14.35 C ATOM 1798 CG1 VAL A 108 -2.786 7.783 -9.152 1.00 74.21 C ATOM 1799 CG2 VAL A 108 -4.930 7.738 -10.500 1.00 63.15 C ATOM 0 H VAL A 108 -5.170 5.360 -9.541 1.00 40.41 H new ATOM 0 HA VAL A 108 -4.262 6.900 -7.174 1.00 21.14 H new ATOM 0 HB VAL A 108 -4.610 8.867 -8.707 1.00 14.35 H new ATOM 0 HG11 VAL A 108 -2.405 8.524 -9.855 1.00 74.21 H new ATOM 0 HG12 VAL A 108 -2.362 7.967 -8.165 1.00 74.21 H new ATOM 0 HG13 VAL A 108 -2.503 6.785 -9.488 1.00 74.21 H new ATOM 0 HG21 VAL A 108 -4.507 8.498 -11.158 1.00 63.15 H new ATOM 0 HG22 VAL A 108 -4.700 6.748 -10.894 1.00 63.15 H new ATOM 0 HG23 VAL A 108 -6.011 7.865 -10.447 1.00 63.15 H new ATOM 1809 N THR A 109 -6.597 7.160 -6.386 1.00 54.04 N ATOM 1810 CA THR A 109 -7.909 7.427 -5.824 1.00 34.43 C ATOM 1811 C THR A 109 -8.008 8.912 -5.459 1.00 54.21 C ATOM 1812 O THR A 109 -7.764 9.307 -4.314 1.00 25.21 O ATOM 1813 CB THR A 109 -8.189 6.502 -4.585 1.00 33.11 C ATOM 1814 OG1 THR A 109 -7.080 6.569 -3.670 1.00 34.23 O ATOM 1815 CG2 THR A 109 -8.423 5.033 -4.995 1.00 54.53 C ATOM 0 H THR A 109 -5.873 7.032 -5.679 1.00 54.04 H new ATOM 0 HA THR A 109 -8.675 7.199 -6.565 1.00 34.43 H new ATOM 0 HB THR A 109 -9.099 6.864 -4.107 1.00 33.11 H new ATOM 0 HG1 THR A 109 -6.785 7.499 -3.581 1.00 34.23 H new ATOM 0 HG21 THR A 109 -8.612 4.433 -4.105 1.00 54.53 H new ATOM 0 HG22 THR A 109 -9.283 4.974 -5.662 1.00 54.53 H new ATOM 0 HG23 THR A 109 -7.539 4.653 -5.508 1.00 54.53 H new ATOM 1823 N ASP A 110 -8.309 9.744 -6.483 1.00 24.32 N ATOM 1824 CA ASP A 110 -8.599 11.179 -6.290 1.00 61.15 C ATOM 1825 C ASP A 110 -9.829 11.336 -5.373 1.00 45.43 C ATOM 1826 O ASP A 110 -9.973 12.325 -4.649 1.00 70.32 O ATOM 1827 CB ASP A 110 -8.819 11.897 -7.656 1.00 1.23 C ATOM 1828 CG ASP A 110 -10.000 11.342 -8.472 1.00 35.34 C ATOM 1829 OD1 ASP A 110 -9.793 10.406 -9.270 1.00 71.24 O ATOM 1830 OD2 ASP A 110 -11.141 11.826 -8.313 1.00 53.53 O ATOM 0 H ASP A 110 -8.357 9.441 -7.456 1.00 24.32 H new ATOM 0 HA ASP A 110 -7.741 11.652 -5.813 1.00 61.15 H new ATOM 0 HB2 ASP A 110 -8.984 12.959 -7.474 1.00 1.23 H new ATOM 0 HB3 ASP A 110 -7.909 11.813 -8.250 1.00 1.23 H new ATOM 1835 N ASN A 111 -10.722 10.332 -5.432 1.00 61.53 N ATOM 1836 CA ASN A 111 -11.809 10.157 -4.470 1.00 24.42 C ATOM 1837 C ASN A 111 -11.214 9.614 -3.154 1.00 1.54 C ATOM 1838 O ASN A 111 -11.004 8.402 -3.004 1.00 43.01 O ATOM 1839 CB ASN A 111 -12.882 9.191 -5.028 1.00 62.30 C ATOM 1840 CG ASN A 111 -13.466 9.652 -6.358 1.00 40.31 C ATOM 1841 OD1 ASN A 111 -12.950 9.314 -7.418 1.00 2.21 O ATOM 1842 ND2 ASN A 111 -14.545 10.420 -6.320 1.00 41.54 N ATOM 0 H ASN A 111 -10.704 9.616 -6.158 1.00 61.53 H new ATOM 0 HA ASN A 111 -12.296 11.114 -4.285 1.00 24.42 H new ATOM 0 HB2 ASN A 111 -12.442 8.202 -5.154 1.00 62.30 H new ATOM 0 HB3 ASN A 111 -13.687 9.091 -4.300 1.00 62.30 H new ATOM 0 HD21 ASN A 111 -14.969 10.747 -7.188 1.00 41.54 H new ATOM 0 HD22 ASN A 111 -14.951 10.684 -5.423 1.00 41.54 H new ATOM 1849 N GLU A 112 -10.888 10.546 -2.248 1.00 5.11 N ATOM 1850 CA GLU A 112 -10.309 10.250 -0.920 1.00 52.42 C ATOM 1851 C GLU A 112 -11.300 9.440 -0.052 1.00 25.35 C ATOM 1852 O GLU A 112 -10.897 8.590 0.751 1.00 44.32 O ATOM 1853 CB GLU A 112 -9.908 11.588 -0.232 1.00 54.30 C ATOM 1854 CG GLU A 112 -11.064 12.596 -0.098 1.00 5.04 C ATOM 1855 CD GLU A 112 -10.619 14.001 0.340 1.00 44.11 C ATOM 1856 OE1 GLU A 112 -10.274 14.188 1.524 1.00 65.45 O ATOM 1857 OE2 GLU A 112 -10.613 14.927 -0.507 1.00 10.02 O ATOM 0 H GLU A 112 -11.019 11.544 -2.415 1.00 5.11 H new ATOM 0 HA GLU A 112 -9.418 9.634 -1.041 1.00 52.42 H new ATOM 0 HB2 GLU A 112 -9.513 11.370 0.760 1.00 54.30 H new ATOM 0 HB3 GLU A 112 -9.101 12.050 -0.802 1.00 54.30 H new ATOM 0 HG2 GLU A 112 -11.580 12.671 -1.055 1.00 5.04 H new ATOM 0 HG3 GLU A 112 -11.785 12.213 0.624 1.00 5.04 H new ATOM 1864 N ASP A 113 -12.608 9.720 -0.254 1.00 4.33 N ATOM 1865 CA ASP A 113 -13.721 8.994 0.386 1.00 10.41 C ATOM 1866 C ASP A 113 -13.744 7.522 -0.076 1.00 22.15 C ATOM 1867 O ASP A 113 -13.902 6.603 0.747 1.00 42.34 O ATOM 1868 CB ASP A 113 -15.067 9.699 0.044 1.00 61.15 C ATOM 1869 CG ASP A 113 -16.297 8.873 0.452 1.00 20.22 C ATOM 1870 OD1 ASP A 113 -16.618 8.822 1.650 1.00 45.34 O ATOM 1871 OD2 ASP A 113 -16.935 8.247 -0.430 1.00 0.51 O ATOM 0 H ASP A 113 -12.920 10.467 -0.875 1.00 4.33 H new ATOM 0 HA ASP A 113 -13.580 9.004 1.467 1.00 10.41 H new ATOM 0 HB2 ASP A 113 -15.102 10.666 0.546 1.00 61.15 H new ATOM 0 HB3 ASP A 113 -15.107 9.895 -1.028 1.00 61.15 H new ATOM 1876 N GLU A 114 -13.578 7.323 -1.400 1.00 52.23 N ATOM 1877 CA GLU A 114 -13.555 5.986 -2.012 1.00 24.33 C ATOM 1878 C GLU A 114 -12.339 5.199 -1.517 1.00 11.43 C ATOM 1879 O GLU A 114 -12.462 4.026 -1.260 1.00 24.24 O ATOM 1880 CB GLU A 114 -13.526 6.062 -3.557 1.00 41.40 C ATOM 1881 CG GLU A 114 -13.626 4.689 -4.260 1.00 14.04 C ATOM 1882 CD GLU A 114 -13.245 4.733 -5.746 1.00 51.42 C ATOM 1883 OE1 GLU A 114 -14.111 5.067 -6.577 1.00 75.12 O ATOM 1884 OE2 GLU A 114 -12.079 4.428 -6.085 1.00 63.00 O ATOM 0 H GLU A 114 -13.457 8.083 -2.069 1.00 52.23 H new ATOM 0 HA GLU A 114 -14.471 5.476 -1.714 1.00 24.33 H new ATOM 0 HB2 GLU A 114 -14.350 6.691 -3.894 1.00 41.40 H new ATOM 0 HB3 GLU A 114 -12.603 6.551 -3.868 1.00 41.40 H new ATOM 0 HG2 GLU A 114 -12.977 3.979 -3.747 1.00 14.04 H new ATOM 0 HG3 GLU A 114 -14.645 4.315 -4.165 1.00 14.04 H new ATOM 1891 N ALA A 115 -11.183 5.873 -1.367 1.00 74.45 N ATOM 1892 CA ALA A 115 -9.932 5.244 -0.891 1.00 34.21 C ATOM 1893 C ALA A 115 -10.130 4.566 0.482 1.00 74.21 C ATOM 1894 O ALA A 115 -9.720 3.420 0.687 1.00 74.11 O ATOM 1895 CB ALA A 115 -8.822 6.292 -0.817 1.00 12.55 C ATOM 0 H ALA A 115 -11.088 6.868 -1.572 1.00 74.45 H new ATOM 0 HA ALA A 115 -9.646 4.469 -1.602 1.00 34.21 H new ATOM 0 HB1 ALA A 115 -7.902 5.824 -0.466 1.00 12.55 H new ATOM 0 HB2 ALA A 115 -8.657 6.718 -1.807 1.00 12.55 H new ATOM 0 HB3 ALA A 115 -9.114 7.083 -0.126 1.00 12.55 H new ATOM 1901 N LYS A 116 -10.791 5.311 1.384 1.00 51.33 N ATOM 1902 CA LYS A 116 -11.220 4.837 2.711 1.00 35.42 C ATOM 1903 C LYS A 116 -12.131 3.584 2.579 1.00 63.04 C ATOM 1904 O LYS A 116 -11.968 2.601 3.319 1.00 72.33 O ATOM 1905 CB LYS A 116 -11.928 6.039 3.439 1.00 64.44 C ATOM 1906 CG LYS A 116 -12.511 5.757 4.853 1.00 64.44 C ATOM 1907 CD LYS A 116 -13.953 5.179 4.830 1.00 65.25 C ATOM 1908 CE LYS A 116 -14.471 4.794 6.222 1.00 22.00 C ATOM 1909 NZ LYS A 116 -15.822 4.174 6.154 1.00 25.23 N ATOM 0 H LYS A 116 -11.048 6.282 1.207 1.00 51.33 H new ATOM 0 HA LYS A 116 -10.367 4.517 3.310 1.00 35.42 H new ATOM 0 HB2 LYS A 116 -11.210 6.855 3.524 1.00 64.44 H new ATOM 0 HB3 LYS A 116 -12.739 6.392 2.802 1.00 64.44 H new ATOM 0 HG2 LYS A 116 -11.857 5.057 5.373 1.00 64.44 H new ATOM 0 HG3 LYS A 116 -12.509 6.683 5.428 1.00 64.44 H new ATOM 0 HD2 LYS A 116 -14.626 5.915 4.390 1.00 65.25 H new ATOM 0 HD3 LYS A 116 -13.975 4.301 4.185 1.00 65.25 H new ATOM 0 HE2 LYS A 116 -13.774 4.098 6.690 1.00 22.00 H new ATOM 0 HE3 LYS A 116 -14.509 5.681 6.854 1.00 22.00 H new ATOM 0 HZ1 LYS A 116 -16.139 3.927 7.113 1.00 25.23 H new ATOM 0 HZ2 LYS A 116 -16.492 4.847 5.730 1.00 25.23 H new ATOM 0 HZ3 LYS A 116 -15.780 3.314 5.571 1.00 25.23 H new ATOM 1923 N LYS A 117 -13.073 3.647 1.623 1.00 12.34 N ATOM 1924 CA LYS A 117 -14.003 2.541 1.312 1.00 4.45 C ATOM 1925 C LYS A 117 -13.255 1.302 0.766 1.00 13.34 C ATOM 1926 O LYS A 117 -13.535 0.175 1.186 1.00 42.31 O ATOM 1927 CB LYS A 117 -15.068 3.014 0.280 1.00 21.52 C ATOM 1928 CG LYS A 117 -16.123 3.990 0.841 1.00 4.23 C ATOM 1929 CD LYS A 117 -17.099 4.481 -0.261 1.00 62.53 C ATOM 1930 CE LYS A 117 -18.403 5.073 0.300 1.00 13.11 C ATOM 1931 NZ LYS A 117 -18.161 6.174 1.263 1.00 52.43 N ATOM 0 H LYS A 117 -13.214 4.471 1.039 1.00 12.34 H new ATOM 0 HA LYS A 117 -14.497 2.252 2.240 1.00 4.45 H new ATOM 0 HB2 LYS A 117 -14.557 3.494 -0.555 1.00 21.52 H new ATOM 0 HB3 LYS A 117 -15.580 2.139 -0.120 1.00 21.52 H new ATOM 0 HG2 LYS A 117 -16.687 3.499 1.634 1.00 4.23 H new ATOM 0 HG3 LYS A 117 -15.622 4.847 1.291 1.00 4.23 H new ATOM 0 HD2 LYS A 117 -16.599 5.234 -0.870 1.00 62.53 H new ATOM 0 HD3 LYS A 117 -17.341 3.647 -0.920 1.00 62.53 H new ATOM 0 HE2 LYS A 117 -19.014 5.443 -0.524 1.00 13.11 H new ATOM 0 HE3 LYS A 117 -18.974 4.285 0.791 1.00 13.11 H new ATOM 0 HZ1 LYS A 117 -19.059 6.446 1.712 1.00 52.43 H new ATOM 0 HZ2 LYS A 117 -17.491 5.856 1.993 1.00 52.43 H new ATOM 0 HZ3 LYS A 117 -17.763 6.993 0.761 1.00 52.43 H new ATOM 1945 N ARG A 118 -12.275 1.546 -0.138 1.00 71.43 N ATOM 1946 CA ARG A 118 -11.590 0.488 -0.906 1.00 11.43 C ATOM 1947 C ARG A 118 -10.755 -0.395 0.017 1.00 42.55 C ATOM 1948 O ARG A 118 -10.677 -1.589 -0.214 1.00 3.13 O ATOM 1949 CB ARG A 118 -10.701 1.066 -2.055 1.00 75.01 C ATOM 1950 CG ARG A 118 -11.453 1.797 -3.200 1.00 24.13 C ATOM 1951 CD ARG A 118 -12.422 0.910 -4.024 1.00 63.45 C ATOM 1952 NE ARG A 118 -13.658 0.517 -3.294 1.00 14.10 N ATOM 1953 CZ ARG A 118 -14.784 0.046 -3.873 1.00 41.11 C ATOM 1954 NH1 ARG A 118 -14.881 -0.077 -5.179 1.00 13.43 N ATOM 1955 NH2 ARG A 118 -15.793 -0.334 -3.130 1.00 11.01 N ATOM 0 H ARG A 118 -11.940 2.485 -0.352 1.00 71.43 H new ATOM 0 HA ARG A 118 -12.367 -0.118 -1.372 1.00 11.43 H new ATOM 0 HB2 ARG A 118 -9.984 1.761 -1.617 1.00 75.01 H new ATOM 0 HB3 ARG A 118 -10.127 0.247 -2.489 1.00 75.01 H new ATOM 0 HG2 ARG A 118 -12.019 2.624 -2.772 1.00 24.13 H new ATOM 0 HG3 ARG A 118 -10.717 2.231 -3.878 1.00 24.13 H new ATOM 0 HD2 ARG A 118 -12.704 1.444 -4.931 1.00 63.45 H new ATOM 0 HD3 ARG A 118 -11.895 0.008 -4.336 1.00 63.45 H new ATOM 0 HE ARG A 118 -13.655 0.610 -2.278 1.00 14.10 H new ATOM 0 HH11 ARG A 118 -14.096 0.186 -5.776 1.00 13.43 H new ATOM 0 HH12 ARG A 118 -15.741 -0.435 -5.595 1.00 13.43 H new ATOM 0 HH21 ARG A 118 -15.729 -0.274 -2.114 1.00 11.01 H new ATOM 0 HH22 ARG A 118 -16.643 -0.690 -3.567 1.00 11.01 H new ATOM 1969 N LEU A 119 -10.170 0.213 1.068 1.00 62.13 N ATOM 1970 CA LEU A 119 -9.348 -0.507 2.058 1.00 13.00 C ATOM 1971 C LEU A 119 -10.156 -1.611 2.739 1.00 42.21 C ATOM 1972 O LEU A 119 -9.740 -2.769 2.745 1.00 32.33 O ATOM 1973 CB LEU A 119 -8.762 0.476 3.101 1.00 31.51 C ATOM 1974 CG LEU A 119 -7.787 1.536 2.518 1.00 74.41 C ATOM 1975 CD1 LEU A 119 -7.209 2.427 3.625 1.00 33.40 C ATOM 1976 CD2 LEU A 119 -6.676 0.864 1.679 1.00 64.42 C ATOM 0 H LEU A 119 -10.254 1.213 1.253 1.00 62.13 H new ATOM 0 HA LEU A 119 -8.517 -0.977 1.532 1.00 13.00 H new ATOM 0 HB2 LEU A 119 -9.585 0.992 3.596 1.00 31.51 H new ATOM 0 HB3 LEU A 119 -8.239 -0.097 3.866 1.00 31.51 H new ATOM 0 HG LEU A 119 -8.353 2.184 1.848 1.00 74.41 H new ATOM 0 HD11 LEU A 119 -6.531 3.159 3.186 1.00 33.40 H new ATOM 0 HD12 LEU A 119 -8.021 2.945 4.136 1.00 33.40 H new ATOM 0 HD13 LEU A 119 -6.665 1.811 4.341 1.00 33.40 H new ATOM 0 HD21 LEU A 119 -6.007 1.628 1.282 1.00 64.42 H new ATOM 0 HD22 LEU A 119 -6.110 0.177 2.308 1.00 64.42 H new ATOM 0 HD23 LEU A 119 -7.127 0.312 0.854 1.00 64.42 H new ATOM 1988 N LYS A 120 -11.341 -1.242 3.250 1.00 60.12 N ATOM 1989 CA LYS A 120 -12.267 -2.198 3.871 1.00 44.53 C ATOM 1990 C LYS A 120 -12.725 -3.257 2.836 1.00 23.14 C ATOM 1991 O LYS A 120 -12.776 -4.439 3.143 1.00 20.10 O ATOM 1992 CB LYS A 120 -13.488 -1.454 4.472 1.00 41.44 C ATOM 1993 CG LYS A 120 -14.504 -2.392 5.166 1.00 72.14 C ATOM 1994 CD LYS A 120 -15.707 -1.647 5.785 1.00 13.53 C ATOM 1995 CE LYS A 120 -16.729 -2.620 6.395 1.00 11.44 C ATOM 1996 NZ LYS A 120 -17.862 -1.917 7.046 1.00 50.33 N ATOM 0 H LYS A 120 -11.681 -0.280 3.244 1.00 60.12 H new ATOM 0 HA LYS A 120 -11.747 -2.712 4.679 1.00 44.53 H new ATOM 0 HB2 LYS A 120 -13.135 -0.717 5.193 1.00 41.44 H new ATOM 0 HB3 LYS A 120 -13.996 -0.906 3.678 1.00 41.44 H new ATOM 0 HG2 LYS A 120 -14.871 -3.118 4.440 1.00 72.14 H new ATOM 0 HG3 LYS A 120 -13.993 -2.953 5.948 1.00 72.14 H new ATOM 0 HD2 LYS A 120 -15.353 -0.962 6.555 1.00 13.53 H new ATOM 0 HD3 LYS A 120 -16.193 -1.042 5.019 1.00 13.53 H new ATOM 0 HE2 LYS A 120 -17.113 -3.276 5.614 1.00 11.44 H new ATOM 0 HE3 LYS A 120 -16.230 -3.255 7.127 1.00 11.44 H new ATOM 0 HZ1 LYS A 120 -18.523 -2.616 7.441 1.00 50.33 H new ATOM 0 HZ2 LYS A 120 -17.501 -1.310 7.810 1.00 50.33 H new ATOM 0 HZ3 LYS A 120 -18.357 -1.331 6.343 1.00 50.33 H new ATOM 2010 N GLU A 121 -12.987 -2.788 1.597 1.00 64.32 N ATOM 2011 CA GLU A 121 -13.453 -3.625 0.467 1.00 22.44 C ATOM 2012 C GLU A 121 -12.445 -4.758 0.154 1.00 34.42 C ATOM 2013 O GLU A 121 -12.844 -5.876 -0.213 1.00 63.22 O ATOM 2014 CB GLU A 121 -13.677 -2.718 -0.780 1.00 71.12 C ATOM 2015 CG GLU A 121 -14.303 -3.414 -2.004 1.00 64.20 C ATOM 2016 CD GLU A 121 -15.687 -4.026 -1.714 1.00 24.54 C ATOM 2017 OE1 GLU A 121 -16.632 -3.269 -1.402 1.00 74.04 O ATOM 2018 OE2 GLU A 121 -15.839 -5.266 -1.787 1.00 10.42 O ATOM 0 H GLU A 121 -12.880 -1.804 1.349 1.00 64.32 H new ATOM 0 HA GLU A 121 -14.394 -4.101 0.742 1.00 22.44 H new ATOM 0 HB2 GLU A 121 -14.318 -1.885 -0.491 1.00 71.12 H new ATOM 0 HB3 GLU A 121 -12.717 -2.294 -1.076 1.00 71.12 H new ATOM 0 HG2 GLU A 121 -14.395 -2.693 -2.816 1.00 64.20 H new ATOM 0 HG3 GLU A 121 -13.631 -4.199 -2.350 1.00 64.20 H new ATOM 2025 N LEU A 122 -11.139 -4.451 0.340 1.00 12.02 N ATOM 2026 CA LEU A 122 -10.056 -5.435 0.183 1.00 1.44 C ATOM 2027 C LEU A 122 -10.143 -6.475 1.303 1.00 41.42 C ATOM 2028 O LEU A 122 -10.233 -7.653 1.036 1.00 2.12 O ATOM 2029 CB LEU A 122 -8.661 -4.758 0.248 1.00 34.34 C ATOM 2030 CG LEU A 122 -8.409 -3.600 -0.745 1.00 40.11 C ATOM 2031 CD1 LEU A 122 -7.095 -2.882 -0.430 1.00 73.54 C ATOM 2032 CD2 LEU A 122 -8.466 -4.077 -2.209 1.00 2.12 C ATOM 0 H LEU A 122 -10.814 -3.520 0.601 1.00 12.02 H new ATOM 0 HA LEU A 122 -10.174 -5.907 -0.793 1.00 1.44 H new ATOM 0 HB2 LEU A 122 -8.513 -4.379 1.259 1.00 34.34 H new ATOM 0 HB3 LEU A 122 -7.903 -5.523 0.080 1.00 34.34 H new ATOM 0 HG LEU A 122 -9.216 -2.878 -0.620 1.00 40.11 H new ATOM 0 HD11 LEU A 122 -6.943 -2.072 -1.144 1.00 73.54 H new ATOM 0 HD12 LEU A 122 -7.137 -2.473 0.579 1.00 73.54 H new ATOM 0 HD13 LEU A 122 -6.268 -3.589 -0.501 1.00 73.54 H new ATOM 0 HD21 LEU A 122 -8.284 -3.233 -2.874 1.00 2.12 H new ATOM 0 HD22 LEU A 122 -7.704 -4.839 -2.373 1.00 2.12 H new ATOM 0 HD23 LEU A 122 -9.450 -4.497 -2.417 1.00 2.12 H new ATOM 2044 N LEU A 123 -10.174 -5.981 2.557 1.00 22.11 N ATOM 2045 CA LEU A 123 -10.063 -6.806 3.785 1.00 33.11 C ATOM 2046 C LEU A 123 -11.205 -7.821 3.924 1.00 13.02 C ATOM 2047 O LEU A 123 -10.971 -8.979 4.289 1.00 1.34 O ATOM 2048 CB LEU A 123 -10.007 -5.884 5.038 1.00 42.52 C ATOM 2049 CG LEU A 123 -8.594 -5.366 5.458 1.00 53.42 C ATOM 2050 CD1 LEU A 123 -7.841 -4.622 4.335 1.00 12.11 C ATOM 2051 CD2 LEU A 123 -8.731 -4.508 6.712 1.00 12.42 C ATOM 0 H LEU A 123 -10.278 -4.985 2.752 1.00 22.11 H new ATOM 0 HA LEU A 123 -9.140 -7.380 3.705 1.00 33.11 H new ATOM 0 HB2 LEU A 123 -10.647 -5.021 4.855 1.00 42.52 H new ATOM 0 HB3 LEU A 123 -10.436 -6.426 5.880 1.00 42.52 H new ATOM 0 HG LEU A 123 -7.975 -6.238 5.671 1.00 53.42 H new ATOM 0 HD11 LEU A 123 -6.869 -4.294 4.704 1.00 12.11 H new ATOM 0 HD12 LEU A 123 -7.700 -5.291 3.486 1.00 12.11 H new ATOM 0 HD13 LEU A 123 -8.422 -3.755 4.020 1.00 12.11 H new ATOM 0 HD21 LEU A 123 -7.749 -4.142 7.012 1.00 12.42 H new ATOM 0 HD22 LEU A 123 -9.385 -3.661 6.504 1.00 12.42 H new ATOM 0 HD23 LEU A 123 -9.157 -5.106 7.517 1.00 12.42 H new ATOM 2063 N GLU A 124 -12.435 -7.370 3.631 1.00 54.52 N ATOM 2064 CA GLU A 124 -13.646 -8.211 3.693 1.00 13.12 C ATOM 2065 C GLU A 124 -13.571 -9.377 2.683 1.00 23.33 C ATOM 2066 O GLU A 124 -14.227 -10.401 2.862 1.00 13.11 O ATOM 2067 CB GLU A 124 -14.908 -7.347 3.424 1.00 10.31 C ATOM 2068 CG GLU A 124 -15.123 -6.165 4.402 1.00 15.23 C ATOM 2069 CD GLU A 124 -15.303 -6.587 5.872 1.00 23.02 C ATOM 2070 OE1 GLU A 124 -16.422 -6.995 6.246 1.00 13.22 O ATOM 2071 OE2 GLU A 124 -14.346 -6.484 6.668 1.00 35.44 O ATOM 0 H GLU A 124 -12.621 -6.409 3.343 1.00 54.52 H new ATOM 0 HA GLU A 124 -13.711 -8.638 4.694 1.00 13.12 H new ATOM 0 HB2 GLU A 124 -14.848 -6.952 2.410 1.00 10.31 H new ATOM 0 HB3 GLU A 124 -15.785 -7.993 3.463 1.00 10.31 H new ATOM 0 HG2 GLU A 124 -14.270 -5.490 4.331 1.00 15.23 H new ATOM 0 HG3 GLU A 124 -16.002 -5.603 4.087 1.00 15.23 H new ATOM 2078 N LYS A 125 -12.768 -9.197 1.623 1.00 3.30 N ATOM 2079 CA LYS A 125 -12.596 -10.188 0.544 1.00 11.45 C ATOM 2080 C LYS A 125 -11.160 -10.786 0.558 1.00 63.04 C ATOM 2081 O LYS A 125 -10.876 -11.718 -0.191 1.00 63.12 O ATOM 2082 CB LYS A 125 -12.940 -9.481 -0.803 1.00 1.42 C ATOM 2083 CG LYS A 125 -13.075 -10.416 -2.032 1.00 62.53 C ATOM 2084 CD LYS A 125 -13.749 -9.734 -3.247 1.00 64.42 C ATOM 2085 CE LYS A 125 -15.188 -9.273 -2.933 1.00 21.43 C ATOM 2086 NZ LYS A 125 -15.886 -8.738 -4.129 1.00 42.50 N ATOM 0 H LYS A 125 -12.213 -8.352 1.487 1.00 3.30 H new ATOM 0 HA LYS A 125 -13.267 -11.036 0.685 1.00 11.45 H new ATOM 0 HB2 LYS A 125 -13.876 -8.936 -0.679 1.00 1.42 H new ATOM 0 HB3 LYS A 125 -12.166 -8.742 -1.013 1.00 1.42 H new ATOM 0 HG2 LYS A 125 -12.085 -10.767 -2.324 1.00 62.53 H new ATOM 0 HG3 LYS A 125 -13.654 -11.295 -1.750 1.00 62.53 H new ATOM 0 HD2 LYS A 125 -13.153 -8.875 -3.556 1.00 64.42 H new ATOM 0 HD3 LYS A 125 -13.767 -10.428 -4.087 1.00 64.42 H new ATOM 0 HE2 LYS A 125 -15.755 -10.112 -2.530 1.00 21.43 H new ATOM 0 HE3 LYS A 125 -15.160 -8.506 -2.159 1.00 21.43 H new ATOM 0 HZ1 LYS A 125 -16.848 -8.442 -3.866 1.00 42.50 H new ATOM 0 HZ2 LYS A 125 -15.361 -7.920 -4.500 1.00 42.50 H new ATOM 0 HZ3 LYS A 125 -15.938 -9.476 -4.860 1.00 42.50 H new ATOM 2100 N VAL A 126 -10.286 -10.247 1.453 1.00 34.24 N ATOM 2101 CA VAL A 126 -8.830 -10.595 1.582 1.00 22.20 C ATOM 2102 C VAL A 126 -7.975 -9.990 0.403 1.00 61.44 C ATOM 2103 O VAL A 126 -6.737 -10.069 0.400 1.00 54.31 O ATOM 2104 CB VAL A 126 -8.585 -12.164 1.784 1.00 61.42 C ATOM 2105 CG1 VAL A 126 -7.113 -12.507 2.105 1.00 12.14 C ATOM 2106 CG2 VAL A 126 -9.518 -12.747 2.886 1.00 42.13 C ATOM 0 H VAL A 126 -10.577 -9.538 2.126 1.00 34.24 H new ATOM 0 HA VAL A 126 -8.475 -10.122 2.498 1.00 22.20 H new ATOM 0 HB VAL A 126 -8.828 -12.629 0.828 1.00 61.42 H new ATOM 0 HG11 VAL A 126 -7.010 -13.585 2.231 1.00 12.14 H new ATOM 0 HG12 VAL A 126 -6.475 -12.175 1.286 1.00 12.14 H new ATOM 0 HG13 VAL A 126 -6.814 -12.004 3.025 1.00 12.14 H new ATOM 0 HG21 VAL A 126 -9.326 -13.814 2.998 1.00 42.13 H new ATOM 0 HG22 VAL A 126 -9.323 -12.242 3.832 1.00 42.13 H new ATOM 0 HG23 VAL A 126 -10.559 -12.594 2.600 1.00 42.13 H new ATOM 2116 N GLY A 127 -8.647 -9.310 -0.551 1.00 4.25 N ATOM 2117 CA GLY A 127 -7.983 -8.655 -1.688 1.00 42.33 C ATOM 2118 C GLY A 127 -8.974 -8.393 -2.823 1.00 50.52 C ATOM 2119 O GLY A 127 -9.858 -9.219 -3.058 1.00 1.44 O ATOM 0 H GLY A 127 -9.661 -9.203 -0.551 1.00 4.25 H new ATOM 0 HA2 GLY A 127 -7.540 -7.714 -1.362 1.00 42.33 H new ATOM 0 HA3 GLY A 127 -7.168 -9.283 -2.049 1.00 42.33 H new