USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 585 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 6 SER OG : rot 19:sc= 0.103 USER MOD Set 1.2: A 70 SER OG : rot 61:sc= 0.236 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0707 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.5) USER MOD Single : A 24 SER OG : rot 108:sc= 0.284 USER MOD Single : A 25 SER OG : rot -130:sc= -0.16 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.26) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -35:sc= 0.962 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.275) USER MOD Single : A 46 MET CE :methyl -170:sc= -0.932 (180deg=-1.01) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0334 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= -0.79 (180deg=-2.91!) USER MOD Single : A 61 LYS NZ :NH3+ -163:sc=-0.00646 (180deg=-0.193) USER MOD Single : A 63 ASN : amide:sc=-0.00188 K(o=-0.0019,f=-0.57) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0718) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.691 19.792 23.324 1.00 0.00 N ATOM 2 CA GLY A 1 -2.304 18.918 22.233 1.00 0.00 C ATOM 3 C GLY A 1 -2.575 19.532 20.874 1.00 0.00 C ATOM 4 O GLY A 1 -3.190 20.594 20.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.865 19.980 23.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.050 20.689 22.939 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.435 19.334 23.888 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.243 18.685 22.318 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.845 17.976 22.317 1.00 0.00 H new ATOM 8 N SER A 2 -2.115 18.863 19.821 1.00 0.00 N ATOM 9 CA SER A 2 -2.307 19.352 18.461 1.00 0.00 C ATOM 10 C SER A 2 -1.794 18.339 17.442 1.00 0.00 C ATOM 11 O SER A 2 -0.761 17.704 17.648 1.00 0.00 O ATOM 12 CB SER A 2 -1.590 20.691 18.272 1.00 0.00 C ATOM 13 OG SER A 2 -0.202 20.501 18.065 1.00 0.00 O ATOM 0 H SER A 2 -1.607 17.981 19.884 1.00 0.00 H new ATOM 0 HA SER A 2 -3.376 19.494 18.300 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.019 21.220 17.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.748 21.318 19.149 1.00 0.00 H new ATOM 0 HG SER A 2 0.233 21.371 17.945 1.00 0.00 H new ATOM 19 N SER A 3 -2.525 18.195 16.341 1.00 0.00 N ATOM 20 CA SER A 3 -2.148 17.257 15.291 1.00 0.00 C ATOM 21 C SER A 3 -2.837 17.607 13.976 1.00 0.00 C ATOM 22 O SER A 3 -3.736 18.447 13.938 1.00 0.00 O ATOM 23 CB SER A 3 -2.505 15.827 15.702 1.00 0.00 C ATOM 24 OG SER A 3 -3.872 15.726 16.060 1.00 0.00 O ATOM 0 H SER A 3 -3.382 18.716 16.153 1.00 0.00 H new ATOM 0 HA SER A 3 -1.070 17.327 15.146 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.290 15.144 14.880 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.882 15.520 16.542 1.00 0.00 H new ATOM 0 HG SER A 3 -4.075 14.802 16.317 1.00 0.00 H new ATOM 30 N GLY A 4 -2.409 16.957 12.898 1.00 0.00 N ATOM 31 CA GLY A 4 -2.996 17.212 11.595 1.00 0.00 C ATOM 32 C GLY A 4 -2.835 16.041 10.647 1.00 0.00 C ATOM 33 O GLY A 4 -1.716 15.646 10.322 1.00 0.00 O ATOM 0 H GLY A 4 -1.666 16.258 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.056 17.435 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.532 18.096 11.158 1.00 0.00 H new ATOM 37 N SER A 5 -3.957 15.482 10.204 1.00 0.00 N ATOM 38 CA SER A 5 -3.936 14.345 9.292 1.00 0.00 C ATOM 39 C SER A 5 -4.824 14.605 8.079 1.00 0.00 C ATOM 40 O SER A 5 -5.584 13.735 7.654 1.00 0.00 O ATOM 41 CB SER A 5 -4.397 13.077 10.013 1.00 0.00 C ATOM 42 OG SER A 5 -5.764 13.165 10.375 1.00 0.00 O ATOM 0 H SER A 5 -4.892 15.798 10.462 1.00 0.00 H new ATOM 0 HA SER A 5 -2.911 14.206 8.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.243 12.212 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.791 12.921 10.905 1.00 0.00 H new ATOM 0 HG SER A 5 -6.035 12.342 10.833 1.00 0.00 H new ATOM 48 N SER A 6 -4.721 15.809 7.525 1.00 0.00 N ATOM 49 CA SER A 6 -5.517 16.187 6.363 1.00 0.00 C ATOM 50 C SER A 6 -4.674 16.964 5.357 1.00 0.00 C ATOM 51 O SER A 6 -3.770 17.709 5.732 1.00 0.00 O ATOM 52 CB SER A 6 -6.721 17.027 6.794 1.00 0.00 C ATOM 53 OG SER A 6 -6.310 18.169 7.526 1.00 0.00 O ATOM 0 H SER A 6 -4.094 16.539 7.862 1.00 0.00 H new ATOM 0 HA SER A 6 -5.873 15.274 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.285 17.338 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.391 16.422 7.404 1.00 0.00 H new ATOM 0 HG SER A 6 -5.361 18.344 7.354 1.00 0.00 H new ATOM 59 N GLY A 7 -4.978 16.784 4.075 1.00 0.00 N ATOM 60 CA GLY A 7 -4.240 17.474 3.033 1.00 0.00 C ATOM 61 C GLY A 7 -4.839 17.257 1.658 1.00 0.00 C ATOM 62 O GLY A 7 -5.719 17.996 1.216 1.00 0.00 O ATOM 0 H GLY A 7 -5.722 16.173 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.219 18.541 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.206 17.128 3.034 1.00 0.00 H new ATOM 66 N PRO A 8 -4.355 16.222 0.954 1.00 0.00 N ATOM 67 CA PRO A 8 -4.833 15.886 -0.390 1.00 0.00 C ATOM 68 C PRO A 8 -6.257 15.341 -0.380 1.00 0.00 C ATOM 69 O PRO A 8 -6.526 14.289 0.201 1.00 0.00 O ATOM 70 CB PRO A 8 -3.851 14.809 -0.857 1.00 0.00 C ATOM 71 CG PRO A 8 -3.338 14.194 0.399 1.00 0.00 C ATOM 72 CD PRO A 8 -3.305 15.300 1.418 1.00 0.00 C ATOM 0 HA PRO A 8 -4.869 16.760 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.345 14.069 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.042 15.240 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.984 13.380 0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.344 13.772 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.511 14.928 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.330 15.786 1.452 1.00 0.00 H new ATOM 80 N THR A 9 -7.167 16.062 -1.027 1.00 0.00 N ATOM 81 CA THR A 9 -8.564 15.651 -1.092 1.00 0.00 C ATOM 82 C THR A 9 -8.734 14.422 -1.978 1.00 0.00 C ATOM 83 O THR A 9 -8.084 14.298 -3.016 1.00 0.00 O ATOM 84 CB THR A 9 -9.459 16.784 -1.626 1.00 0.00 C ATOM 85 OG1 THR A 9 -10.833 16.382 -1.589 1.00 0.00 O ATOM 86 CG2 THR A 9 -9.072 17.154 -3.050 1.00 0.00 C ATOM 0 H THR A 9 -6.961 16.934 -1.514 1.00 0.00 H new ATOM 0 HA THR A 9 -8.870 15.407 -0.075 1.00 0.00 H new ATOM 0 HB THR A 9 -9.319 17.658 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.396 17.109 -1.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.718 17.956 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.034 17.488 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.186 16.283 -3.696 1.00 0.00 H new ATOM 94 N LYS A 10 -9.614 13.517 -1.564 1.00 0.00 N ATOM 95 CA LYS A 10 -9.873 12.298 -2.322 1.00 0.00 C ATOM 96 C LYS A 10 -11.227 11.703 -1.949 1.00 0.00 C ATOM 97 O LYS A 10 -11.736 11.934 -0.852 1.00 0.00 O ATOM 98 CB LYS A 10 -8.766 11.272 -2.070 1.00 0.00 C ATOM 99 CG LYS A 10 -7.604 11.380 -3.042 1.00 0.00 C ATOM 100 CD LYS A 10 -6.737 10.132 -3.016 1.00 0.00 C ATOM 101 CE LYS A 10 -7.366 9.000 -3.814 1.00 0.00 C ATOM 102 NZ LYS A 10 -7.081 9.123 -5.271 1.00 0.00 N ATOM 0 H LYS A 10 -10.160 13.604 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.888 12.554 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.392 11.396 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.190 10.270 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.986 11.538 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.998 12.250 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.753 10.363 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.588 9.813 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.988 8.045 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.444 8.998 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.527 8.333 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.464 10.023 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.053 9.099 -5.427 1.00 0.00 H new ATOM 116 N TYR A 11 -11.804 10.936 -2.867 1.00 0.00 N ATOM 117 CA TYR A 11 -13.099 10.308 -2.634 1.00 0.00 C ATOM 118 C TYR A 11 -13.132 9.614 -1.276 1.00 0.00 C ATOM 119 O TYR A 11 -14.080 9.774 -0.506 1.00 0.00 O ATOM 120 CB TYR A 11 -13.407 9.300 -3.742 1.00 0.00 C ATOM 121 CG TYR A 11 -13.102 9.814 -5.131 1.00 0.00 C ATOM 122 CD1 TYR A 11 -11.823 9.713 -5.666 1.00 0.00 C ATOM 123 CD2 TYR A 11 -14.093 10.400 -5.909 1.00 0.00 C ATOM 124 CE1 TYR A 11 -11.540 10.182 -6.934 1.00 0.00 C ATOM 125 CE2 TYR A 11 -13.819 10.871 -7.179 1.00 0.00 C ATOM 126 CZ TYR A 11 -12.541 10.760 -7.686 1.00 0.00 C ATOM 127 OH TYR A 11 -12.264 11.227 -8.950 1.00 0.00 O ATOM 0 H TYR A 11 -11.395 10.734 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 11 -13.859 11.089 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.831 8.392 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -14.460 9.025 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.037 9.260 -5.080 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.094 10.489 -5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.541 10.097 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -14.601 11.323 -7.771 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.078 11.604 -9.345 1.00 0.00 H new ATOM 137 N LYS A 12 -12.089 8.843 -0.987 1.00 0.00 N ATOM 138 CA LYS A 12 -11.995 8.125 0.278 1.00 0.00 C ATOM 139 C LYS A 12 -10.614 7.500 0.447 1.00 0.00 C ATOM 140 O LYS A 12 -10.006 7.046 -0.521 1.00 0.00 O ATOM 141 CB LYS A 12 -13.071 7.040 0.353 1.00 0.00 C ATOM 142 CG LYS A 12 -12.864 5.908 -0.638 1.00 0.00 C ATOM 143 CD LYS A 12 -12.007 4.800 -0.049 1.00 0.00 C ATOM 144 CE LYS A 12 -12.155 3.504 -0.832 1.00 0.00 C ATOM 145 NZ LYS A 12 -11.901 2.309 0.020 1.00 0.00 N ATOM 0 H LYS A 12 -11.296 8.700 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.152 8.840 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.091 6.629 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.046 7.494 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.831 5.502 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.390 6.295 -1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.962 5.109 -0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.290 4.633 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.160 3.445 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.460 3.506 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.012 1.446 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.933 2.352 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.580 2.293 0.807 1.00 0.00 H new ATOM 159 N GLU A 13 -10.126 7.479 1.684 1.00 0.00 N ATOM 160 CA GLU A 13 -8.817 6.908 1.978 1.00 0.00 C ATOM 161 C GLU A 13 -8.913 5.397 2.167 1.00 0.00 C ATOM 162 O GLU A 13 -10.006 4.831 2.189 1.00 0.00 O ATOM 163 CB GLU A 13 -8.225 7.553 3.232 1.00 0.00 C ATOM 164 CG GLU A 13 -7.482 8.850 2.957 1.00 0.00 C ATOM 165 CD GLU A 13 -8.379 9.923 2.371 1.00 0.00 C ATOM 166 OE1 GLU A 13 -9.375 10.288 3.031 1.00 0.00 O ATOM 167 OE2 GLU A 13 -8.087 10.397 1.254 1.00 0.00 O ATOM 0 H GLU A 13 -10.617 7.850 2.497 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.162 7.110 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.027 7.748 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.543 6.847 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.042 9.216 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.659 8.654 2.270 1.00 0.00 H new ATOM 174 N ARG A 14 -7.760 4.749 2.303 1.00 0.00 N ATOM 175 CA ARG A 14 -7.713 3.304 2.488 1.00 0.00 C ATOM 176 C ARG A 14 -8.373 2.903 3.804 1.00 0.00 C ATOM 177 O ARG A 14 -8.681 3.752 4.639 1.00 0.00 O ATOM 178 CB ARG A 14 -6.264 2.812 2.461 1.00 0.00 C ATOM 179 CG ARG A 14 -5.526 3.162 1.179 1.00 0.00 C ATOM 180 CD ARG A 14 -5.867 2.192 0.058 1.00 0.00 C ATOM 181 NE ARG A 14 -5.781 2.823 -1.256 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.650 3.725 -1.696 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.665 4.101 -0.931 1.00 0.00 N ATOM 184 NH2 ARG A 14 -6.505 4.254 -2.905 1.00 0.00 N ATOM 0 H ARG A 14 -6.846 5.202 2.288 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.263 2.840 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.728 3.241 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.254 1.730 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.784 4.177 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.451 3.147 1.361 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.188 1.340 0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.874 1.804 0.208 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.011 2.556 -1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.780 3.697 -0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.331 4.794 -1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.725 3.967 -3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.173 4.947 -3.242 1.00 0.00 H new ATOM 198 N ALA A 15 -8.587 1.603 3.980 1.00 0.00 N ATOM 199 CA ALA A 15 -9.209 1.089 5.194 1.00 0.00 C ATOM 200 C ALA A 15 -8.245 1.151 6.374 1.00 0.00 C ATOM 201 O ALA A 15 -7.031 1.011 6.222 1.00 0.00 O ATOM 202 CB ALA A 15 -9.690 -0.338 4.977 1.00 0.00 C ATOM 0 H ALA A 15 -8.339 0.887 3.297 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.068 1.719 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.152 -0.709 5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.420 -0.357 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.843 -0.972 4.716 1.00 0.00 H new ATOM 208 N PRO A 16 -8.794 1.365 7.578 1.00 0.00 N ATOM 209 CA PRO A 16 -8.000 1.450 8.807 1.00 0.00 C ATOM 210 C PRO A 16 -7.407 0.103 9.208 1.00 0.00 C ATOM 211 O PRO A 16 -6.527 0.034 10.066 1.00 0.00 O ATOM 212 CB PRO A 16 -9.013 1.921 9.853 1.00 0.00 C ATOM 213 CG PRO A 16 -10.333 1.468 9.332 1.00 0.00 C ATOM 214 CD PRO A 16 -10.234 1.540 7.833 1.00 0.00 C ATOM 0 HA PRO A 16 -7.144 2.115 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.803 1.487 10.831 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.985 3.004 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.554 0.452 9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.137 2.104 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.825 0.760 7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.597 2.495 7.452 1.00 0.00 H new ATOM 222 N GLU A 17 -7.894 -0.963 8.582 1.00 0.00 N ATOM 223 CA GLU A 17 -7.411 -2.307 8.875 1.00 0.00 C ATOM 224 C GLU A 17 -6.313 -2.717 7.897 1.00 0.00 C ATOM 225 O GLU A 17 -5.423 -3.495 8.238 1.00 0.00 O ATOM 226 CB GLU A 17 -8.563 -3.312 8.815 1.00 0.00 C ATOM 227 CG GLU A 17 -9.451 -3.295 10.048 1.00 0.00 C ATOM 228 CD GLU A 17 -10.101 -4.638 10.317 1.00 0.00 C ATOM 229 OE1 GLU A 17 -9.449 -5.500 10.942 1.00 0.00 O ATOM 230 OE2 GLU A 17 -11.264 -4.827 9.902 1.00 0.00 O ATOM 0 H GLU A 17 -8.622 -0.922 7.869 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.994 -2.303 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.172 -3.101 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.154 -4.314 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.858 -3.003 10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.226 -2.539 9.923 1.00 0.00 H new ATOM 237 N GLN A 18 -6.385 -2.186 6.681 1.00 0.00 N ATOM 238 CA GLN A 18 -5.398 -2.498 5.653 1.00 0.00 C ATOM 239 C GLN A 18 -4.112 -1.710 5.877 1.00 0.00 C ATOM 240 O GLN A 18 -3.027 -2.286 5.967 1.00 0.00 O ATOM 241 CB GLN A 18 -5.963 -2.190 4.265 1.00 0.00 C ATOM 242 CG GLN A 18 -7.217 -2.980 3.929 1.00 0.00 C ATOM 243 CD GLN A 18 -7.832 -2.565 2.607 1.00 0.00 C ATOM 244 OE1 GLN A 18 -9.008 -2.204 2.542 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.039 -2.614 1.543 1.00 0.00 N ATOM 0 H GLN A 18 -7.115 -1.539 6.383 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.167 -3.561 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.187 -1.125 4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.199 -2.401 3.516 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.974 -4.042 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.950 -2.846 4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.071 -2.919 1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.398 -2.346 0.627 1.00 0.00 H new ATOM 254 N LEU A 19 -4.239 -0.391 5.968 1.00 0.00 N ATOM 255 CA LEU A 19 -3.086 0.476 6.182 1.00 0.00 C ATOM 256 C LEU A 19 -2.221 -0.041 7.327 1.00 0.00 C ATOM 257 O LEU A 19 -0.993 0.039 7.275 1.00 0.00 O ATOM 258 CB LEU A 19 -3.545 1.904 6.480 1.00 0.00 C ATOM 259 CG LEU A 19 -4.008 2.725 5.275 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.476 4.103 5.717 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.890 2.844 4.250 1.00 0.00 C ATOM 0 H LEU A 19 -5.129 0.102 5.897 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.488 0.476 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.363 1.859 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.724 2.435 6.963 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.848 2.210 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.802 4.673 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.307 3.999 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.655 4.626 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.237 3.431 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.031 3.337 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.600 1.850 3.910 1.00 0.00 H new ATOM 273 N ARG A 20 -2.869 -0.573 8.358 1.00 0.00 N ATOM 274 CA ARG A 20 -2.159 -1.104 9.515 1.00 0.00 C ATOM 275 C ARG A 20 -1.085 -2.099 9.084 1.00 0.00 C ATOM 276 O ARG A 20 -0.043 -2.219 9.728 1.00 0.00 O ATOM 277 CB ARG A 20 -3.139 -1.780 10.475 1.00 0.00 C ATOM 278 CG ARG A 20 -2.462 -2.489 11.637 1.00 0.00 C ATOM 279 CD ARG A 20 -3.373 -3.539 12.256 1.00 0.00 C ATOM 280 NE ARG A 20 -3.345 -4.795 11.512 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.839 -5.936 11.978 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.398 -5.979 13.180 1.00 0.00 N ATOM 283 NH2 ARG A 20 -3.777 -7.038 11.241 1.00 0.00 N ATOM 0 H ARG A 20 -3.885 -0.648 8.416 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.675 -0.272 10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.825 -1.030 10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.739 -2.501 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.543 -2.962 11.291 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.179 -1.759 12.395 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.068 -3.721 13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.394 -3.159 12.288 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.923 -4.796 10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.449 -5.134 13.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.777 -6.857 13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.349 -7.009 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.157 -7.914 11.600 1.00 0.00 H new ATOM 297 N ALA A 21 -1.347 -2.808 7.992 1.00 0.00 N ATOM 298 CA ALA A 21 -0.402 -3.791 7.474 1.00 0.00 C ATOM 299 C ALA A 21 0.641 -3.131 6.579 1.00 0.00 C ATOM 300 O ALA A 21 1.823 -3.473 6.629 1.00 0.00 O ATOM 301 CB ALA A 21 -1.140 -4.882 6.713 1.00 0.00 C ATOM 0 H ALA A 21 -2.206 -2.721 7.448 1.00 0.00 H new ATOM 0 HA ALA A 21 0.117 -4.241 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.423 -5.609 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.842 -5.381 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.685 -4.439 5.880 1.00 0.00 H new ATOM 307 N LEU A 22 0.197 -2.184 5.760 1.00 0.00 N ATOM 308 CA LEU A 22 1.092 -1.476 4.852 1.00 0.00 C ATOM 309 C LEU A 22 2.000 -0.519 5.619 1.00 0.00 C ATOM 310 O LEU A 22 3.221 -0.664 5.607 1.00 0.00 O ATOM 311 CB LEU A 22 0.285 -0.704 3.807 1.00 0.00 C ATOM 312 CG LEU A 22 -0.792 -1.500 3.068 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.822 -0.564 2.457 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.164 -2.379 1.996 1.00 0.00 C ATOM 0 H LEU A 22 -0.778 -1.889 5.706 1.00 0.00 H new ATOM 0 HA LEU A 22 1.716 -2.214 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.192 0.144 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.978 -0.297 3.070 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.298 -2.144 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.580 -1.148 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.294 0.022 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.331 0.106 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.945 -2.938 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.369 -1.754 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.535 -3.075 2.460 1.00 0.00 H new ATOM 326 N GLU A 23 1.392 0.459 6.285 1.00 0.00 N ATOM 327 CA GLU A 23 2.147 1.438 7.058 1.00 0.00 C ATOM 328 C GLU A 23 3.247 0.761 7.869 1.00 0.00 C ATOM 329 O GLU A 23 4.399 1.195 7.857 1.00 0.00 O ATOM 330 CB GLU A 23 1.213 2.213 7.991 1.00 0.00 C ATOM 331 CG GLU A 23 0.153 3.018 7.260 1.00 0.00 C ATOM 332 CD GLU A 23 -0.310 4.227 8.050 1.00 0.00 C ATOM 333 OE1 GLU A 23 0.478 5.188 8.177 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.457 4.212 8.541 1.00 0.00 O ATOM 0 H GLU A 23 0.381 0.594 6.304 1.00 0.00 H new ATOM 0 HA GLU A 23 2.612 2.134 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.723 1.511 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.807 2.887 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.550 3.347 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.703 2.377 7.049 1.00 0.00 H new ATOM 341 N SER A 24 2.883 -0.306 8.574 1.00 0.00 N ATOM 342 CA SER A 24 3.838 -1.042 9.395 1.00 0.00 C ATOM 343 C SER A 24 5.023 -1.514 8.559 1.00 0.00 C ATOM 344 O SER A 24 6.165 -1.502 9.018 1.00 0.00 O ATOM 345 CB SER A 24 3.156 -2.240 10.057 1.00 0.00 C ATOM 346 OG SER A 24 2.487 -1.854 11.245 1.00 0.00 O ATOM 0 H SER A 24 1.934 -0.680 8.593 1.00 0.00 H new ATOM 0 HA SER A 24 4.208 -0.370 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.443 -2.686 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.899 -3.004 10.286 1.00 0.00 H new ATOM 0 HG SER A 24 1.518 -1.877 11.097 1.00 0.00 H new ATOM 352 N SER A 25 4.742 -1.931 7.328 1.00 0.00 N ATOM 353 CA SER A 25 5.783 -2.412 6.427 1.00 0.00 C ATOM 354 C SER A 25 6.617 -1.252 5.893 1.00 0.00 C ATOM 355 O SER A 25 7.847 -1.309 5.883 1.00 0.00 O ATOM 356 CB SER A 25 5.162 -3.187 5.264 1.00 0.00 C ATOM 357 OG SER A 25 6.157 -3.851 4.505 1.00 0.00 O ATOM 0 H SER A 25 3.802 -1.945 6.932 1.00 0.00 H new ATOM 0 HA SER A 25 6.437 -3.078 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.447 -3.915 5.648 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.607 -2.503 4.622 1.00 0.00 H new ATOM 0 HG SER A 25 6.031 -3.651 3.554 1.00 0.00 H new ATOM 363 N PHE A 26 5.939 -0.199 5.448 1.00 0.00 N ATOM 364 CA PHE A 26 6.616 0.975 4.910 1.00 0.00 C ATOM 365 C PHE A 26 7.754 1.414 5.827 1.00 0.00 C ATOM 366 O PHE A 26 8.821 1.813 5.362 1.00 0.00 O ATOM 367 CB PHE A 26 5.621 2.124 4.727 1.00 0.00 C ATOM 368 CG PHE A 26 6.173 3.273 3.933 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.583 3.093 2.622 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.282 4.534 4.498 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.092 4.149 1.890 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.790 5.594 3.770 1.00 0.00 C ATOM 373 CZ PHE A 26 7.195 5.401 2.464 1.00 0.00 C ATOM 0 H PHE A 26 4.921 -0.135 5.449 1.00 0.00 H new ATOM 0 HA PHE A 26 7.036 0.709 3.940 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.728 1.745 4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.311 2.486 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.504 2.117 2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.966 4.690 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.409 3.995 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.870 6.572 4.222 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.591 6.227 1.893 1.00 0.00 H new ATOM 383 N ALA A 27 7.517 1.338 7.133 1.00 0.00 N ATOM 384 CA ALA A 27 8.521 1.726 8.115 1.00 0.00 C ATOM 385 C ALA A 27 9.847 1.019 7.853 1.00 0.00 C ATOM 386 O ALA A 27 10.914 1.621 7.967 1.00 0.00 O ATOM 387 CB ALA A 27 8.028 1.422 9.522 1.00 0.00 C ATOM 0 H ALA A 27 6.638 1.011 7.535 1.00 0.00 H new ATOM 0 HA ALA A 27 8.687 2.799 8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.788 1.717 10.245 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.110 1.977 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.833 0.354 9.616 1.00 0.00 H new ATOM 393 N GLN A 28 9.771 -0.261 7.504 1.00 0.00 N ATOM 394 CA GLN A 28 10.966 -1.050 7.228 1.00 0.00 C ATOM 395 C GLN A 28 11.556 -0.685 5.870 1.00 0.00 C ATOM 396 O GLN A 28 12.749 -0.407 5.755 1.00 0.00 O ATOM 397 CB GLN A 28 10.638 -2.543 7.271 1.00 0.00 C ATOM 398 CG GLN A 28 10.097 -3.009 8.613 1.00 0.00 C ATOM 399 CD GLN A 28 10.376 -4.475 8.877 1.00 0.00 C ATOM 400 OE1 GLN A 28 10.048 -5.339 8.063 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.986 -4.765 10.021 1.00 0.00 N ATOM 0 H GLN A 28 8.895 -0.774 7.406 1.00 0.00 H new ATOM 0 HA GLN A 28 11.705 -0.826 7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.906 -2.768 6.496 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.538 -3.111 7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.541 -2.410 9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.021 -2.836 8.647 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.240 -4.018 10.667 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.200 -5.735 10.253 1.00 0.00 H new ATOM 410 N ASN A 29 10.713 -0.689 4.843 1.00 0.00 N ATOM 411 CA ASN A 29 11.152 -0.360 3.492 1.00 0.00 C ATOM 412 C ASN A 29 9.979 0.113 2.638 1.00 0.00 C ATOM 413 O ASN A 29 8.857 -0.381 2.752 1.00 0.00 O ATOM 414 CB ASN A 29 11.815 -1.574 2.838 1.00 0.00 C ATOM 415 CG ASN A 29 11.253 -2.886 3.352 1.00 0.00 C ATOM 416 OD1 ASN A 29 11.846 -3.531 4.218 1.00 0.00 O ATOM 417 ND2 ASN A 29 10.105 -3.287 2.820 1.00 0.00 N ATOM 0 H ASN A 29 9.722 -0.916 4.921 1.00 0.00 H new ATOM 0 HA ASN A 29 11.879 0.450 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.678 -1.521 1.758 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.888 -1.543 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.679 -4.162 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.649 -2.720 2.105 1.00 0.00 H new ATOM 424 N PRO A 30 10.242 1.094 1.762 1.00 0.00 N ATOM 425 CA PRO A 30 9.222 1.655 0.872 1.00 0.00 C ATOM 426 C PRO A 30 8.792 0.670 -0.210 1.00 0.00 C ATOM 427 O PRO A 30 7.648 0.693 -0.666 1.00 0.00 O ATOM 428 CB PRO A 30 9.923 2.864 0.246 1.00 0.00 C ATOM 429 CG PRO A 30 11.375 2.539 0.318 1.00 0.00 C ATOM 430 CD PRO A 30 11.557 1.730 1.573 1.00 0.00 C ATOM 0 HA PRO A 30 8.307 1.906 1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.602 3.018 -0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.695 3.780 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.693 1.975 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.977 3.447 0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.349 0.990 1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.825 2.359 2.422 1.00 0.00 H new ATOM 438 N LEU A 31 9.715 -0.194 -0.618 1.00 0.00 N ATOM 439 CA LEU A 31 9.431 -1.188 -1.646 1.00 0.00 C ATOM 440 C LEU A 31 9.796 -2.589 -1.166 1.00 0.00 C ATOM 441 O LEU A 31 10.874 -3.109 -1.453 1.00 0.00 O ATOM 442 CB LEU A 31 10.200 -0.860 -2.927 1.00 0.00 C ATOM 443 CG LEU A 31 9.728 0.375 -3.695 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.403 0.448 -5.056 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.214 0.362 -3.849 1.00 0.00 C ATOM 0 H LEU A 31 10.667 -0.226 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 31 8.361 -1.163 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.251 -0.725 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.142 -1.721 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 31 10.008 1.261 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.055 1.333 -5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.483 0.506 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.155 -0.443 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.896 1.249 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.912 -0.531 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.748 0.359 -2.864 1.00 0.00 H new ATOM 457 N PRO A 32 8.877 -3.216 -0.417 1.00 0.00 N ATOM 458 CA PRO A 32 9.078 -4.567 0.117 1.00 0.00 C ATOM 459 C PRO A 32 9.058 -5.631 -0.975 1.00 0.00 C ATOM 460 O PRO A 32 8.085 -5.751 -1.721 1.00 0.00 O ATOM 461 CB PRO A 32 7.892 -4.753 1.067 1.00 0.00 C ATOM 462 CG PRO A 32 6.840 -3.837 0.544 1.00 0.00 C ATOM 463 CD PRO A 32 7.569 -2.656 -0.035 1.00 0.00 C ATOM 0 HA PRO A 32 10.049 -4.674 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.549 -5.787 1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.163 -4.501 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.234 -4.332 -0.215 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.163 -3.526 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.043 -2.241 -0.895 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.673 -1.852 0.693 1.00 0.00 H new ATOM 471 N LEU A 33 10.136 -6.402 -1.062 1.00 0.00 N ATOM 472 CA LEU A 33 10.242 -7.458 -2.063 1.00 0.00 C ATOM 473 C LEU A 33 8.934 -8.237 -2.174 1.00 0.00 C ATOM 474 O LEU A 33 8.066 -8.138 -1.307 1.00 0.00 O ATOM 475 CB LEU A 33 11.387 -8.409 -1.711 1.00 0.00 C ATOM 476 CG LEU A 33 12.742 -7.756 -1.440 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.725 -8.776 -0.887 1.00 0.00 C ATOM 478 CD2 LEU A 33 13.290 -7.119 -2.709 1.00 0.00 C ATOM 0 H LEU A 33 10.949 -6.316 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 33 10.449 -6.992 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.099 -8.981 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.506 -9.121 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 33 12.604 -6.973 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.684 -8.293 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.338 -9.186 0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.859 -9.581 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.255 -6.659 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.413 -7.884 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.595 -6.358 -3.063 1.00 0.00 H new ATOM 490 N ASP A 34 8.803 -9.012 -3.244 1.00 0.00 N ATOM 491 CA ASP A 34 7.603 -9.811 -3.467 1.00 0.00 C ATOM 492 C ASP A 34 7.273 -10.650 -2.237 1.00 0.00 C ATOM 493 O ASP A 34 6.115 -10.745 -1.832 1.00 0.00 O ATOM 494 CB ASP A 34 7.787 -10.718 -4.685 1.00 0.00 C ATOM 495 CG ASP A 34 6.667 -11.730 -4.827 1.00 0.00 C ATOM 496 OD1 ASP A 34 5.622 -11.380 -5.416 1.00 0.00 O ATOM 497 OD2 ASP A 34 6.835 -12.871 -4.351 1.00 0.00 O ATOM 0 H ASP A 34 9.512 -9.105 -3.971 1.00 0.00 H new ATOM 0 HA ASP A 34 6.772 -9.130 -3.654 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.837 -10.106 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.739 -11.243 -4.603 1.00 0.00 H new ATOM 502 N GLU A 35 8.299 -11.258 -1.649 1.00 0.00 N ATOM 503 CA GLU A 35 8.117 -12.091 -0.466 1.00 0.00 C ATOM 504 C GLU A 35 7.367 -11.331 0.625 1.00 0.00 C ATOM 505 O GLU A 35 6.258 -11.705 1.005 1.00 0.00 O ATOM 506 CB GLU A 35 9.471 -12.564 0.066 1.00 0.00 C ATOM 507 CG GLU A 35 10.311 -13.292 -0.970 1.00 0.00 C ATOM 508 CD GLU A 35 11.358 -14.192 -0.343 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.302 -13.661 0.280 1.00 0.00 O ATOM 510 OE2 GLU A 35 11.234 -15.427 -0.476 1.00 0.00 O ATOM 0 H GLU A 35 9.264 -11.189 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 35 7.524 -12.959 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.029 -11.703 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.307 -13.224 0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.659 -13.889 -1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.803 -12.561 -1.612 1.00 0.00 H new ATOM 517 N GLU A 36 7.981 -10.263 1.123 1.00 0.00 N ATOM 518 CA GLU A 36 7.372 -9.451 2.170 1.00 0.00 C ATOM 519 C GLU A 36 5.976 -8.991 1.760 1.00 0.00 C ATOM 520 O GLU A 36 5.080 -8.867 2.596 1.00 0.00 O ATOM 521 CB GLU A 36 8.251 -8.237 2.481 1.00 0.00 C ATOM 522 CG GLU A 36 7.703 -7.358 3.593 1.00 0.00 C ATOM 523 CD GLU A 36 7.551 -8.104 4.905 1.00 0.00 C ATOM 524 OE1 GLU A 36 6.631 -8.943 5.006 1.00 0.00 O ATOM 525 OE2 GLU A 36 8.351 -7.849 5.829 1.00 0.00 O ATOM 0 H GLU A 36 8.899 -9.940 0.819 1.00 0.00 H new ATOM 0 HA GLU A 36 7.284 -10.066 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.247 -8.582 2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.362 -7.638 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.367 -6.506 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.734 -6.959 3.292 1.00 0.00 H new ATOM 532 N LEU A 37 5.799 -8.739 0.468 1.00 0.00 N ATOM 533 CA LEU A 37 4.513 -8.292 -0.055 1.00 0.00 C ATOM 534 C LEU A 37 3.471 -9.402 0.039 1.00 0.00 C ATOM 535 O LEU A 37 2.325 -9.161 0.417 1.00 0.00 O ATOM 536 CB LEU A 37 4.661 -7.838 -1.509 1.00 0.00 C ATOM 537 CG LEU A 37 5.053 -6.375 -1.718 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.388 -6.116 -3.179 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.937 -5.451 -1.253 1.00 0.00 C ATOM 0 H LEU A 37 6.530 -8.837 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 37 4.176 -7.450 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.410 -8.467 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.717 -8.017 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 37 5.941 -6.168 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.665 -5.070 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.221 -6.752 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.519 -6.341 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.234 -4.414 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.031 -5.659 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.745 -5.617 -0.193 1.00 0.00 H new ATOM 551 N ASP A 38 3.878 -10.619 -0.305 1.00 0.00 N ATOM 552 CA ASP A 38 2.981 -11.768 -0.256 1.00 0.00 C ATOM 553 C ASP A 38 2.254 -11.833 1.084 1.00 0.00 C ATOM 554 O ASP A 38 1.055 -12.106 1.138 1.00 0.00 O ATOM 555 CB ASP A 38 3.762 -13.062 -0.490 1.00 0.00 C ATOM 556 CG ASP A 38 2.923 -14.299 -0.235 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.206 -14.730 -1.162 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.983 -14.835 0.891 1.00 0.00 O ATOM 0 H ASP A 38 4.823 -10.835 -0.621 1.00 0.00 H new ATOM 0 HA ASP A 38 2.239 -11.653 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.129 -13.081 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.636 -13.078 0.162 1.00 0.00 H new ATOM 563 N ARG A 39 2.989 -11.581 2.163 1.00 0.00 N ATOM 564 CA ARG A 39 2.414 -11.614 3.502 1.00 0.00 C ATOM 565 C ARG A 39 1.359 -10.524 3.668 1.00 0.00 C ATOM 566 O ARG A 39 0.236 -10.793 4.098 1.00 0.00 O ATOM 567 CB ARG A 39 3.511 -11.440 4.555 1.00 0.00 C ATOM 568 CG ARG A 39 4.203 -12.739 4.933 1.00 0.00 C ATOM 569 CD ARG A 39 3.268 -13.667 5.693 1.00 0.00 C ATOM 570 NE ARG A 39 3.967 -14.837 6.220 1.00 0.00 N ATOM 571 CZ ARG A 39 3.529 -15.554 7.248 1.00 0.00 C ATOM 572 NH1 ARG A 39 2.399 -15.222 7.858 1.00 0.00 N ATOM 573 NH2 ARG A 39 4.221 -16.605 7.670 1.00 0.00 N ATOM 0 H ARG A 39 3.983 -11.352 2.136 1.00 0.00 H new ATOM 0 HA ARG A 39 1.935 -12.583 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.255 -10.738 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.076 -10.996 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.560 -13.238 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.078 -12.522 5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.804 -13.121 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.464 -13.992 5.033 1.00 0.00 H new ATOM 0 HE ARG A 39 4.840 -15.118 5.773 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.865 -14.414 7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.064 -15.774 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.091 -16.863 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.883 -17.155 8.460 1.00 0.00 H new ATOM 587 N LEU A 40 1.726 -9.295 3.324 1.00 0.00 N ATOM 588 CA LEU A 40 0.812 -8.164 3.435 1.00 0.00 C ATOM 589 C LEU A 40 -0.482 -8.433 2.672 1.00 0.00 C ATOM 590 O LEU A 40 -1.574 -8.142 3.161 1.00 0.00 O ATOM 591 CB LEU A 40 1.475 -6.892 2.903 1.00 0.00 C ATOM 592 CG LEU A 40 2.749 -6.448 3.624 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.433 -5.327 2.857 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.431 -6.007 5.045 1.00 0.00 C ATOM 0 H LEU A 40 2.651 -9.056 2.966 1.00 0.00 H new ATOM 0 HA LEU A 40 0.570 -8.027 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.711 -7.042 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.750 -6.080 2.954 1.00 0.00 H new ATOM 0 HG LEU A 40 3.431 -7.297 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.337 -5.024 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.695 -5.677 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.757 -4.476 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.349 -5.695 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.730 -5.173 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.986 -6.838 5.593 1.00 0.00 H new ATOM 606 N ARG A 41 -0.351 -8.991 1.474 1.00 0.00 N ATOM 607 CA ARG A 41 -1.509 -9.301 0.644 1.00 0.00 C ATOM 608 C ARG A 41 -2.583 -10.019 1.456 1.00 0.00 C ATOM 609 O ARG A 41 -3.770 -9.942 1.140 1.00 0.00 O ATOM 610 CB ARG A 41 -1.093 -10.164 -0.548 1.00 0.00 C ATOM 611 CG ARG A 41 -0.571 -9.361 -1.729 1.00 0.00 C ATOM 612 CD ARG A 41 -0.677 -10.147 -3.027 1.00 0.00 C ATOM 613 NE ARG A 41 0.453 -11.053 -3.212 1.00 0.00 N ATOM 614 CZ ARG A 41 0.418 -12.119 -4.003 1.00 0.00 C ATOM 615 NH1 ARG A 41 -0.685 -12.411 -4.679 1.00 0.00 N ATOM 616 NH2 ARG A 41 1.487 -12.896 -4.119 1.00 0.00 N ATOM 0 H ARG A 41 0.546 -9.238 1.056 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.923 -8.362 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.322 -10.865 -0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.948 -10.757 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.135 -8.433 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.469 -9.086 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.605 -10.719 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.728 -9.454 -3.867 1.00 0.00 H new ATOM 0 HE ARG A 41 1.316 -10.856 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.509 -11.816 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.709 -13.230 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.337 -12.675 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.459 -13.715 -4.727 1.00 0.00 H new ATOM 630 N SER A 42 -2.157 -10.718 2.503 1.00 0.00 N ATOM 631 CA SER A 42 -3.081 -11.454 3.358 1.00 0.00 C ATOM 632 C SER A 42 -3.862 -10.503 4.260 1.00 0.00 C ATOM 633 O SER A 42 -5.089 -10.441 4.198 1.00 0.00 O ATOM 634 CB SER A 42 -2.320 -12.473 4.209 1.00 0.00 C ATOM 635 OG SER A 42 -1.641 -13.412 3.395 1.00 0.00 O ATOM 0 H SER A 42 -1.178 -10.790 2.780 1.00 0.00 H new ATOM 0 HA SER A 42 -3.788 -11.982 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.604 -11.956 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.016 -12.994 4.867 1.00 0.00 H new ATOM 0 HG SER A 42 -1.161 -14.051 3.963 1.00 0.00 H new ATOM 641 N GLU A 43 -3.140 -9.764 5.097 1.00 0.00 N ATOM 642 CA GLU A 43 -3.765 -8.817 6.012 1.00 0.00 C ATOM 643 C GLU A 43 -4.537 -7.747 5.244 1.00 0.00 C ATOM 644 O GLU A 43 -5.732 -7.549 5.464 1.00 0.00 O ATOM 645 CB GLU A 43 -2.707 -8.159 6.901 1.00 0.00 C ATOM 646 CG GLU A 43 -1.772 -9.152 7.570 1.00 0.00 C ATOM 647 CD GLU A 43 -1.179 -8.617 8.860 1.00 0.00 C ATOM 648 OE1 GLU A 43 -0.648 -7.487 8.845 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.248 -9.329 9.884 1.00 0.00 O ATOM 0 H GLU A 43 -2.123 -9.803 5.160 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.466 -9.366 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.118 -7.467 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.206 -7.568 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.316 -10.073 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.966 -9.407 6.882 1.00 0.00 H new ATOM 656 N THR A 44 -3.844 -7.059 4.342 1.00 0.00 N ATOM 657 CA THR A 44 -4.462 -6.009 3.543 1.00 0.00 C ATOM 658 C THR A 44 -5.547 -6.575 2.634 1.00 0.00 C ATOM 659 O THR A 44 -6.446 -5.855 2.199 1.00 0.00 O ATOM 660 CB THR A 44 -3.420 -5.272 2.681 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.736 -6.204 1.836 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.414 -4.539 3.556 1.00 0.00 C ATOM 0 H THR A 44 -2.854 -7.210 4.147 1.00 0.00 H new ATOM 0 HA THR A 44 -4.910 -5.303 4.242 1.00 0.00 H new ATOM 0 HB THR A 44 -3.943 -4.540 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.629 -7.056 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.688 -4.026 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.935 -3.810 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.897 -5.255 4.195 1.00 0.00 H new ATOM 670 N LYS A 45 -5.459 -7.871 2.352 1.00 0.00 N ATOM 671 CA LYS A 45 -6.434 -8.536 1.497 1.00 0.00 C ATOM 672 C LYS A 45 -6.542 -7.835 0.147 1.00 0.00 C ATOM 673 O LYS A 45 -7.617 -7.778 -0.449 1.00 0.00 O ATOM 674 CB LYS A 45 -7.804 -8.567 2.178 1.00 0.00 C ATOM 675 CG LYS A 45 -7.813 -9.328 3.493 1.00 0.00 C ATOM 676 CD LYS A 45 -7.613 -10.818 3.276 1.00 0.00 C ATOM 677 CE LYS A 45 -8.886 -11.484 2.776 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.945 -11.512 3.823 1.00 0.00 N ATOM 0 H LYS A 45 -4.721 -8.481 2.704 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.095 -9.558 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.134 -7.544 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.527 -9.021 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.025 -8.945 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.759 -9.158 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.811 -10.977 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.300 -11.284 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.255 -10.950 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.662 -12.502 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.655 -12.231 3.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.518 -11.745 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.402 -10.580 3.879 1.00 0.00 H new ATOM 692 N MET A 46 -5.421 -7.304 -0.331 1.00 0.00 N ATOM 693 CA MET A 46 -5.390 -6.609 -1.612 1.00 0.00 C ATOM 694 C MET A 46 -4.490 -7.339 -2.605 1.00 0.00 C ATOM 695 O MET A 46 -3.797 -8.292 -2.247 1.00 0.00 O ATOM 696 CB MET A 46 -4.901 -5.172 -1.425 1.00 0.00 C ATOM 697 CG MET A 46 -5.936 -4.256 -0.791 1.00 0.00 C ATOM 698 SD MET A 46 -5.671 -2.520 -1.199 1.00 0.00 S ATOM 699 CE MET A 46 -3.893 -2.397 -1.018 1.00 0.00 C ATOM 0 H MET A 46 -4.522 -7.342 0.150 1.00 0.00 H new ATOM 0 HA MET A 46 -6.404 -6.591 -2.012 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.005 -5.180 -0.804 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.613 -4.766 -2.395 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.931 -4.555 -1.121 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.909 -4.379 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.594 -1.350 -1.062 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.595 -2.819 -0.058 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.406 -2.947 -1.823 1.00 0.00 H new ATOM 709 N THR A 47 -4.506 -6.887 -3.855 1.00 0.00 N ATOM 710 CA THR A 47 -3.693 -7.498 -4.899 1.00 0.00 C ATOM 711 C THR A 47 -2.336 -6.813 -5.010 1.00 0.00 C ATOM 712 O THR A 47 -2.114 -5.753 -4.424 1.00 0.00 O ATOM 713 CB THR A 47 -4.399 -7.438 -6.267 1.00 0.00 C ATOM 714 OG1 THR A 47 -5.101 -6.198 -6.403 1.00 0.00 O ATOM 715 CG2 THR A 47 -5.371 -8.597 -6.425 1.00 0.00 C ATOM 0 H THR A 47 -5.073 -6.100 -4.169 1.00 0.00 H new ATOM 0 HA THR A 47 -3.548 -8.541 -4.618 1.00 0.00 H new ATOM 0 HB THR A 47 -3.640 -7.512 -7.046 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.545 -6.168 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.858 -8.534 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.828 -9.540 -6.351 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.125 -8.550 -5.639 1.00 0.00 H new ATOM 723 N ARG A 48 -1.430 -7.425 -5.766 1.00 0.00 N ATOM 724 CA ARG A 48 -0.093 -6.874 -5.953 1.00 0.00 C ATOM 725 C ARG A 48 -0.163 -5.448 -6.491 1.00 0.00 C ATOM 726 O ARG A 48 0.326 -4.511 -5.860 1.00 0.00 O ATOM 727 CB ARG A 48 0.714 -7.753 -6.911 1.00 0.00 C ATOM 728 CG ARG A 48 1.555 -8.806 -6.208 1.00 0.00 C ATOM 729 CD ARG A 48 2.953 -8.292 -5.905 1.00 0.00 C ATOM 730 NE ARG A 48 3.706 -8.003 -7.122 1.00 0.00 N ATOM 731 CZ ARG A 48 5.027 -7.863 -7.154 1.00 0.00 C ATOM 732 NH1 ARG A 48 5.737 -7.986 -6.041 1.00 0.00 N ATOM 733 NH2 ARG A 48 5.640 -7.600 -8.301 1.00 0.00 N ATOM 0 H ARG A 48 -1.597 -8.302 -6.259 1.00 0.00 H new ATOM 0 HA ARG A 48 0.404 -6.854 -4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.030 -8.247 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.367 -7.119 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.067 -9.103 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.621 -9.697 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.884 -7.389 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.491 -9.033 -5.313 1.00 0.00 H new ATOM 0 HE ARG A 48 3.190 -7.903 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.269 -8.189 -5.157 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.751 -7.878 -6.068 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.097 -7.505 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.654 -7.493 -8.324 1.00 0.00 H new ATOM 747 N ARG A 49 -0.774 -5.292 -7.661 1.00 0.00 N ATOM 748 CA ARG A 49 -0.907 -3.981 -8.285 1.00 0.00 C ATOM 749 C ARG A 49 -1.480 -2.966 -7.301 1.00 0.00 C ATOM 750 O ARG A 49 -1.102 -1.795 -7.311 1.00 0.00 O ATOM 751 CB ARG A 49 -1.802 -4.069 -9.522 1.00 0.00 C ATOM 752 CG ARG A 49 -3.280 -4.210 -9.196 1.00 0.00 C ATOM 753 CD ARG A 49 -4.147 -3.956 -10.419 1.00 0.00 C ATOM 754 NE ARG A 49 -4.186 -5.111 -11.312 1.00 0.00 N ATOM 755 CZ ARG A 49 -5.147 -5.318 -12.205 1.00 0.00 C ATOM 756 NH1 ARG A 49 -6.144 -4.451 -12.324 1.00 0.00 N ATOM 757 NH2 ARG A 49 -5.113 -6.393 -12.982 1.00 0.00 N ATOM 0 H ARG A 49 -1.185 -6.057 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 49 0.086 -3.648 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.656 -3.176 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.489 -4.920 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.475 -5.211 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.548 -3.508 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.160 -3.710 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.764 -3.091 -10.961 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.434 -5.797 -11.246 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.174 -3.623 -11.729 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.881 -4.612 -13.011 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.348 -7.062 -12.894 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.852 -6.550 -13.667 1.00 0.00 H new ATOM 771 N GLU A 50 -2.395 -3.424 -6.452 1.00 0.00 N ATOM 772 CA GLU A 50 -3.021 -2.555 -5.462 1.00 0.00 C ATOM 773 C GLU A 50 -1.983 -1.999 -4.492 1.00 0.00 C ATOM 774 O GLU A 50 -1.936 -0.795 -4.240 1.00 0.00 O ATOM 775 CB GLU A 50 -4.100 -3.318 -4.691 1.00 0.00 C ATOM 776 CG GLU A 50 -5.462 -3.294 -5.365 1.00 0.00 C ATOM 777 CD GLU A 50 -6.207 -1.995 -5.129 1.00 0.00 C ATOM 778 OE1 GLU A 50 -6.566 -1.719 -3.965 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.431 -1.254 -6.109 1.00 0.00 O ATOM 0 H GLU A 50 -2.719 -4.391 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.483 -1.720 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.783 -4.354 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.191 -2.892 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.335 -3.446 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.062 -4.125 -4.994 1.00 0.00 H new ATOM 786 N ILE A 51 -1.154 -2.885 -3.950 1.00 0.00 N ATOM 787 CA ILE A 51 -0.117 -2.484 -3.008 1.00 0.00 C ATOM 788 C ILE A 51 1.074 -1.866 -3.732 1.00 0.00 C ATOM 789 O ILE A 51 1.435 -0.715 -3.484 1.00 0.00 O ATOM 790 CB ILE A 51 0.371 -3.678 -2.166 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.816 -4.392 -1.517 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.359 -3.211 -1.107 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.503 -5.804 -1.075 1.00 0.00 C ATOM 0 H ILE A 51 -1.181 -3.885 -4.147 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.562 -1.741 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 51 0.879 -4.383 -2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.149 -3.815 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.646 -4.416 -2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.695 -4.066 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.217 -2.744 -1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.874 -2.488 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.390 -6.249 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.199 -6.396 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.305 -5.786 -0.344 1.00 0.00 H new ATOM 805 N ASP A 52 1.679 -2.636 -4.629 1.00 0.00 N ATOM 806 CA ASP A 52 2.828 -2.164 -5.392 1.00 0.00 C ATOM 807 C ASP A 52 2.641 -0.709 -5.811 1.00 0.00 C ATOM 808 O ASP A 52 3.612 0.032 -5.968 1.00 0.00 O ATOM 809 CB ASP A 52 3.041 -3.039 -6.628 1.00 0.00 C ATOM 810 CG ASP A 52 3.986 -4.195 -6.363 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.185 -3.938 -6.126 1.00 0.00 O ATOM 812 OD2 ASP A 52 3.527 -5.356 -6.392 1.00 0.00 O ATOM 0 H ASP A 52 1.393 -3.591 -4.846 1.00 0.00 H new ATOM 0 HA ASP A 52 3.709 -2.230 -4.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.080 -3.429 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.438 -2.428 -7.438 1.00 0.00 H new ATOM 817 N SER A 53 1.387 -0.306 -5.991 1.00 0.00 N ATOM 818 CA SER A 53 1.073 1.059 -6.396 1.00 0.00 C ATOM 819 C SER A 53 0.991 1.980 -5.183 1.00 0.00 C ATOM 820 O SER A 53 1.514 3.095 -5.200 1.00 0.00 O ATOM 821 CB SER A 53 -0.248 1.094 -7.167 1.00 0.00 C ATOM 822 OG SER A 53 -0.681 2.426 -7.377 1.00 0.00 O ATOM 0 H SER A 53 0.572 -0.906 -5.863 1.00 0.00 H new ATOM 0 HA SER A 53 1.874 1.412 -7.045 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.126 0.593 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.010 0.544 -6.615 1.00 0.00 H new ATOM 0 HG SER A 53 -1.526 2.421 -7.873 1.00 0.00 H new ATOM 828 N TRP A 54 0.332 1.507 -4.132 1.00 0.00 N ATOM 829 CA TRP A 54 0.181 2.288 -2.909 1.00 0.00 C ATOM 830 C TRP A 54 1.523 2.849 -2.453 1.00 0.00 C ATOM 831 O TRP A 54 1.607 3.989 -1.996 1.00 0.00 O ATOM 832 CB TRP A 54 -0.429 1.427 -1.802 1.00 0.00 C ATOM 833 CG TRP A 54 -0.535 2.138 -0.487 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.653 2.713 0.047 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.518 2.351 0.460 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.358 3.270 1.267 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.033 3.061 1.544 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.873 2.009 0.498 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.724 3.435 2.651 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.623 2.381 1.597 1.00 0.00 C ATOM 841 CH2 TRP A 54 2.048 3.088 2.661 1.00 0.00 C ATOM 0 H TRP A 54 -0.107 0.587 -4.101 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.488 3.123 -3.120 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.422 1.100 -2.111 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.177 0.530 -1.674 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.626 2.727 -0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.019 3.760 1.870 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.325 1.464 -0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.282 3.979 3.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.671 2.122 1.637 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.661 3.365 3.506 1.00 0.00 H new ATOM 852 N PHE A 55 2.571 2.042 -2.579 1.00 0.00 N ATOM 853 CA PHE A 55 3.910 2.459 -2.179 1.00 0.00 C ATOM 854 C PHE A 55 4.442 3.546 -3.108 1.00 0.00 C ATOM 855 O PHE A 55 4.556 4.709 -2.720 1.00 0.00 O ATOM 856 CB PHE A 55 4.862 1.261 -2.179 1.00 0.00 C ATOM 857 CG PHE A 55 4.748 0.405 -0.950 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.142 0.890 0.287 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.249 -0.885 -1.032 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.039 0.105 1.420 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.143 -1.674 0.097 1.00 0.00 C ATOM 862 CZ PHE A 55 4.540 -1.180 1.324 1.00 0.00 C ATOM 0 H PHE A 55 2.519 1.095 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 55 3.850 2.866 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.663 0.649 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.887 1.621 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.534 1.893 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.939 -1.278 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.348 0.495 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.750 -2.677 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.461 -1.797 2.207 1.00 0.00 H new ATOM 872 N SER A 56 4.766 3.159 -4.337 1.00 0.00 N ATOM 873 CA SER A 56 5.290 4.098 -5.322 1.00 0.00 C ATOM 874 C SER A 56 4.490 5.397 -5.313 1.00 0.00 C ATOM 875 O SER A 56 5.003 6.456 -5.672 1.00 0.00 O ATOM 876 CB SER A 56 5.259 3.476 -6.719 1.00 0.00 C ATOM 877 OG SER A 56 5.941 4.291 -7.656 1.00 0.00 O ATOM 0 H SER A 56 4.675 2.201 -4.675 1.00 0.00 H new ATOM 0 HA SER A 56 6.323 4.325 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.718 2.488 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.225 3.339 -7.036 1.00 0.00 H new ATOM 0 HG SER A 56 5.908 3.870 -8.541 1.00 0.00 H new ATOM 883 N GLU A 57 3.230 5.306 -4.899 1.00 0.00 N ATOM 884 CA GLU A 57 2.359 6.474 -4.844 1.00 0.00 C ATOM 885 C GLU A 57 2.437 7.147 -3.477 1.00 0.00 C ATOM 886 O GLU A 57 2.381 8.373 -3.372 1.00 0.00 O ATOM 887 CB GLU A 57 0.913 6.073 -5.145 1.00 0.00 C ATOM 888 CG GLU A 57 0.596 6.008 -6.629 1.00 0.00 C ATOM 889 CD GLU A 57 0.804 7.337 -7.329 1.00 0.00 C ATOM 890 OE1 GLU A 57 0.259 8.353 -6.849 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.513 7.361 -8.357 1.00 0.00 O ATOM 0 H GLU A 57 2.790 4.437 -4.597 1.00 0.00 H new ATOM 0 HA GLU A 57 2.697 7.184 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.714 5.100 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.240 6.787 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.226 5.252 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.438 5.689 -6.762 1.00 0.00 H new ATOM 898 N ARG A 58 2.567 6.337 -2.431 1.00 0.00 N ATOM 899 CA ARG A 58 2.651 6.853 -1.070 1.00 0.00 C ATOM 900 C ARG A 58 4.040 7.419 -0.789 1.00 0.00 C ATOM 901 O ARG A 58 4.188 8.600 -0.474 1.00 0.00 O ATOM 902 CB ARG A 58 2.324 5.750 -0.062 1.00 0.00 C ATOM 903 CG ARG A 58 2.324 6.225 1.382 1.00 0.00 C ATOM 904 CD ARG A 58 1.151 7.151 1.664 1.00 0.00 C ATOM 905 NE ARG A 58 1.429 8.064 2.769 1.00 0.00 N ATOM 906 CZ ARG A 58 0.550 8.947 3.232 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.656 9.034 2.688 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.877 9.744 4.241 1.00 0.00 N ATOM 0 H ARG A 58 2.616 5.321 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 58 1.922 7.657 -0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.345 5.332 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.049 4.944 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.278 5.364 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.258 6.744 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.920 7.726 0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.268 6.557 1.898 1.00 0.00 H new ATOM 0 HE ARG A 58 2.348 8.022 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.911 8.423 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.329 9.712 3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.804 9.680 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.202 10.421 4.595 1.00 0.00 H new ATOM 922 N ARG A 59 5.054 6.568 -0.903 1.00 0.00 N ATOM 923 CA ARG A 59 6.431 6.982 -0.659 1.00 0.00 C ATOM 924 C ARG A 59 6.733 8.303 -1.359 1.00 0.00 C ATOM 925 O ARG A 59 7.556 9.091 -0.894 1.00 0.00 O ATOM 926 CB ARG A 59 7.403 5.903 -1.140 1.00 0.00 C ATOM 927 CG ARG A 59 7.618 5.904 -2.645 1.00 0.00 C ATOM 928 CD ARG A 59 8.697 4.913 -3.054 1.00 0.00 C ATOM 929 NE ARG A 59 10.037 5.475 -2.915 1.00 0.00 N ATOM 930 CZ ARG A 59 10.533 6.403 -3.726 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.803 6.871 -4.729 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.762 6.865 -3.534 1.00 0.00 N ATOM 0 H ARG A 59 4.948 5.587 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 59 6.557 7.122 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.363 6.044 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.028 4.926 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.684 5.654 -3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.898 6.905 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.615 4.015 -2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.537 4.609 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 59 10.625 5.137 -2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.858 6.519 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.187 7.584 -5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.327 6.508 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.142 7.577 -4.157 1.00 0.00 H new ATOM 946 N LYS A 60 6.062 8.539 -2.482 1.00 0.00 N ATOM 947 CA LYS A 60 6.257 9.765 -3.247 1.00 0.00 C ATOM 948 C LYS A 60 5.402 10.898 -2.688 1.00 0.00 C ATOM 949 O LYS A 60 5.746 12.072 -2.821 1.00 0.00 O ATOM 950 CB LYS A 60 5.913 9.531 -4.720 1.00 0.00 C ATOM 951 CG LYS A 60 4.422 9.410 -4.984 1.00 0.00 C ATOM 952 CD LYS A 60 4.065 9.872 -6.387 1.00 0.00 C ATOM 953 CE LYS A 60 4.393 8.809 -7.424 1.00 0.00 C ATOM 954 NZ LYS A 60 5.859 8.578 -7.537 1.00 0.00 N ATOM 0 H LYS A 60 5.378 7.897 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 60 7.306 10.051 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.313 10.353 -5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.409 8.622 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.111 8.374 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.873 10.004 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.003 10.111 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.608 10.788 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.898 7.876 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.998 9.113 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.104 8.383 -8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.370 9.424 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.129 7.765 -6.947 1.00 0.00 H new ATOM 968 N LYS A 61 4.288 10.537 -2.060 1.00 0.00 N ATOM 969 CA LYS A 61 3.385 11.522 -1.478 1.00 0.00 C ATOM 970 C LYS A 61 4.059 12.267 -0.329 1.00 0.00 C ATOM 971 O LYS A 61 3.808 13.452 -0.113 1.00 0.00 O ATOM 972 CB LYS A 61 2.108 10.842 -0.979 1.00 0.00 C ATOM 973 CG LYS A 61 0.890 11.748 -0.995 1.00 0.00 C ATOM 974 CD LYS A 61 -0.177 11.266 -0.026 1.00 0.00 C ATOM 975 CE LYS A 61 -0.960 10.094 -0.597 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.856 10.515 -1.710 1.00 0.00 N ATOM 0 H LYS A 61 3.989 9.569 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 61 3.126 12.243 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.907 9.967 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.271 10.484 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.188 12.764 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.477 11.786 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.290 10.970 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.860 12.085 0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.266 9.334 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.554 9.634 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.569 9.777 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.331 11.404 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.294 10.658 -2.573 1.00 0.00 H new ATOM 990 N VAL A 62 4.917 11.563 0.403 1.00 0.00 N ATOM 991 CA VAL A 62 5.629 12.158 1.527 1.00 0.00 C ATOM 992 C VAL A 62 6.600 13.235 1.055 1.00 0.00 C ATOM 993 O VAL A 62 6.748 14.275 1.695 1.00 0.00 O ATOM 994 CB VAL A 62 6.408 11.095 2.325 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.285 11.754 3.378 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.449 10.101 2.963 1.00 0.00 C ATOM 0 H VAL A 62 5.135 10.581 0.237 1.00 0.00 H new ATOM 0 HA VAL A 62 4.877 12.609 2.174 1.00 0.00 H new ATOM 0 HB VAL A 62 7.055 10.551 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.827 10.987 3.931 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.996 12.423 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.661 12.325 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.016 9.357 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.775 10.628 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.868 9.605 2.185 1.00 0.00 H new ATOM 1006 N ASN A 63 7.259 12.978 -0.070 1.00 0.00 N ATOM 1007 CA ASN A 63 8.216 13.926 -0.629 1.00 0.00 C ATOM 1008 C ASN A 63 7.499 15.117 -1.257 1.00 0.00 C ATOM 1009 O ASN A 63 7.937 16.259 -1.123 1.00 0.00 O ATOM 1010 CB ASN A 63 9.096 13.237 -1.674 1.00 0.00 C ATOM 1011 CG ASN A 63 10.406 13.969 -1.899 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.418 15.147 -2.257 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.516 13.271 -1.691 1.00 0.00 N ATOM 0 H ASN A 63 7.148 12.121 -0.612 1.00 0.00 H new ATOM 0 HA ASN A 63 8.845 14.291 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.304 12.216 -1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.553 13.172 -2.617 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.427 13.709 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.458 12.297 -1.395 1.00 0.00 H new ATOM 1020 N ALA A 64 6.394 14.841 -1.941 1.00 0.00 N ATOM 1021 CA ALA A 64 5.614 15.890 -2.588 1.00 0.00 C ATOM 1022 C ALA A 64 4.493 16.380 -1.678 1.00 0.00 C ATOM 1023 O ALA A 64 3.410 16.731 -2.147 1.00 0.00 O ATOM 1024 CB ALA A 64 5.046 15.388 -3.907 1.00 0.00 C ATOM 0 H ALA A 64 6.018 13.900 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 64 6.277 16.731 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.466 16.181 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.863 15.094 -4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.402 14.529 -3.722 1.00 0.00 H new ATOM 1030 N GLU A 65 4.759 16.401 -0.376 1.00 0.00 N ATOM 1031 CA GLU A 65 3.771 16.847 0.599 1.00 0.00 C ATOM 1032 C GLU A 65 3.839 18.359 0.790 1.00 0.00 C ATOM 1033 O GLU A 65 4.919 18.925 0.954 1.00 0.00 O ATOM 1034 CB GLU A 65 3.989 16.141 1.939 1.00 0.00 C ATOM 1035 CG GLU A 65 2.734 16.052 2.791 1.00 0.00 C ATOM 1036 CD GLU A 65 1.660 15.189 2.159 1.00 0.00 C ATOM 1037 OE1 GLU A 65 1.797 13.948 2.199 1.00 0.00 O ATOM 1038 OE2 GLU A 65 0.682 15.753 1.625 1.00 0.00 O ATOM 0 H GLU A 65 5.651 16.114 0.028 1.00 0.00 H new ATOM 0 HA GLU A 65 2.782 16.591 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.364 15.135 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.761 16.670 2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.992 15.646 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.339 17.055 2.955 1.00 0.00 H new ATOM 1045 N GLU A 66 2.678 19.006 0.767 1.00 0.00 N ATOM 1046 CA GLU A 66 2.606 20.452 0.937 1.00 0.00 C ATOM 1047 C GLU A 66 1.579 20.825 2.001 1.00 0.00 C ATOM 1048 O GLU A 66 0.738 20.009 2.383 1.00 0.00 O ATOM 1049 CB GLU A 66 2.250 21.126 -0.390 1.00 0.00 C ATOM 1050 CG GLU A 66 2.625 22.598 -0.445 1.00 0.00 C ATOM 1051 CD GLU A 66 2.428 23.199 -1.823 1.00 0.00 C ATOM 1052 OE1 GLU A 66 3.342 23.067 -2.663 1.00 0.00 O ATOM 1053 OE2 GLU A 66 1.360 23.801 -2.061 1.00 0.00 O ATOM 0 H GLU A 66 1.775 18.552 0.632 1.00 0.00 H new ATOM 0 HA GLU A 66 3.585 20.803 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.754 20.601 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.178 21.026 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.023 23.150 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.667 22.715 -0.147 1.00 0.00 H new ATOM 1060 N THR A 67 1.652 22.064 2.478 1.00 0.00 N ATOM 1061 CA THR A 67 0.730 22.545 3.500 1.00 0.00 C ATOM 1062 C THR A 67 -0.645 22.834 2.908 1.00 0.00 C ATOM 1063 O THR A 67 -0.759 23.432 1.838 1.00 0.00 O ATOM 1064 CB THR A 67 1.262 23.821 4.179 1.00 0.00 C ATOM 1065 OG1 THR A 67 2.660 23.683 4.455 1.00 0.00 O ATOM 1066 CG2 THR A 67 0.510 24.100 5.472 1.00 0.00 C ATOM 0 H THR A 67 2.340 22.752 2.173 1.00 0.00 H new ATOM 0 HA THR A 67 0.643 21.754 4.245 1.00 0.00 H new ATOM 0 HB THR A 67 1.107 24.659 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.991 24.499 4.885 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.903 25.006 5.933 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.550 24.234 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.637 23.260 6.155 1.00 0.00 H new ATOM 1074 N LYS A 68 -1.688 22.405 3.611 1.00 0.00 N ATOM 1075 CA LYS A 68 -3.057 22.619 3.157 1.00 0.00 C ATOM 1076 C LYS A 68 -3.941 23.102 4.302 1.00 0.00 C ATOM 1077 O LYS A 68 -3.498 23.190 5.448 1.00 0.00 O ATOM 1078 CB LYS A 68 -3.628 21.327 2.567 1.00 0.00 C ATOM 1079 CG LYS A 68 -3.159 21.046 1.150 1.00 0.00 C ATOM 1080 CD LYS A 68 -4.035 21.747 0.124 1.00 0.00 C ATOM 1081 CE LYS A 68 -5.304 20.956 -0.158 1.00 0.00 C ATOM 1082 NZ LYS A 68 -5.966 21.401 -1.415 1.00 0.00 N ATOM 0 H LYS A 68 -1.611 21.907 4.498 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.041 23.388 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.347 20.490 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.717 21.383 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.127 21.376 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.172 19.971 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.297 22.741 0.486 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.476 21.882 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.063 19.896 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.996 21.069 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.826 20.838 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.219 22.407 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.315 21.269 -2.215 1.00 0.00 H new ATOM 1096 N LYS A 69 -5.194 23.411 3.986 1.00 0.00 N ATOM 1097 CA LYS A 69 -6.142 23.882 4.989 1.00 0.00 C ATOM 1098 C LYS A 69 -6.910 22.716 5.602 1.00 0.00 C ATOM 1099 O LYS A 69 -7.413 21.849 4.888 1.00 0.00 O ATOM 1100 CB LYS A 69 -7.120 24.881 4.366 1.00 0.00 C ATOM 1101 CG LYS A 69 -7.647 25.910 5.350 1.00 0.00 C ATOM 1102 CD LYS A 69 -8.909 25.424 6.044 1.00 0.00 C ATOM 1103 CE LYS A 69 -10.145 25.677 5.194 1.00 0.00 C ATOM 1104 NZ LYS A 69 -10.531 27.115 5.191 1.00 0.00 N ATOM 0 H LYS A 69 -5.577 23.344 3.043 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.580 24.378 5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.624 25.397 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.961 24.335 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.882 26.127 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.855 26.843 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.822 24.358 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.016 25.930 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.956 25.350 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.974 25.079 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.472 27.221 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.555 27.470 6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.836 27.660 4.641 1.00 0.00 H new ATOM 1118 N SER A 70 -6.998 22.702 6.928 1.00 0.00 N ATOM 1119 CA SER A 70 -7.704 21.641 7.636 1.00 0.00 C ATOM 1120 C SER A 70 -9.190 21.962 7.756 1.00 0.00 C ATOM 1121 O SER A 70 -9.573 22.977 8.337 1.00 0.00 O ATOM 1122 CB SER A 70 -7.100 21.439 9.028 1.00 0.00 C ATOM 1123 OG SER A 70 -7.483 20.188 9.573 1.00 0.00 O ATOM 0 H SER A 70 -6.589 23.414 7.534 1.00 0.00 H new ATOM 0 HA SER A 70 -7.595 20.721 7.062 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.013 21.496 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.425 22.242 9.689 1.00 0.00 H new ATOM 0 HG SER A 70 -7.159 19.466 8.994 1.00 0.00 H new ATOM 1129 N GLY A 71 -10.025 21.089 7.200 1.00 0.00 N ATOM 1130 CA GLY A 71 -11.460 21.297 7.255 1.00 0.00 C ATOM 1131 C GLY A 71 -12.222 20.313 6.388 1.00 0.00 C ATOM 1132 O GLY A 71 -11.741 19.870 5.345 1.00 0.00 O ATOM 0 H GLY A 71 -9.733 20.242 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.798 21.205 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.689 22.313 6.934 1.00 0.00 H new ATOM 1136 N PRO A 72 -13.439 19.956 6.823 1.00 0.00 N ATOM 1137 CA PRO A 72 -14.294 19.013 6.094 1.00 0.00 C ATOM 1138 C PRO A 72 -14.824 19.600 4.790 1.00 0.00 C ATOM 1139 O PRO A 72 -15.770 20.387 4.792 1.00 0.00 O ATOM 1140 CB PRO A 72 -15.445 18.752 7.069 1.00 0.00 C ATOM 1141 CG PRO A 72 -15.496 19.967 7.929 1.00 0.00 C ATOM 1142 CD PRO A 72 -14.076 20.444 8.057 1.00 0.00 C ATOM 0 HA PRO A 72 -13.752 18.114 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.386 18.602 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -15.266 17.855 7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.127 20.735 7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.920 19.736 8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.022 21.530 8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.594 20.037 8.946 1.00 0.00 H new ATOM 1150 N SER A 73 -14.208 19.210 3.678 1.00 0.00 N ATOM 1151 CA SER A 73 -14.615 19.700 2.367 1.00 0.00 C ATOM 1152 C SER A 73 -15.557 18.712 1.686 1.00 0.00 C ATOM 1153 O SER A 73 -15.179 17.576 1.397 1.00 0.00 O ATOM 1154 CB SER A 73 -13.388 19.943 1.486 1.00 0.00 C ATOM 1155 OG SER A 73 -12.709 21.125 1.872 1.00 0.00 O ATOM 0 H SER A 73 -13.425 18.556 3.660 1.00 0.00 H new ATOM 0 HA SER A 73 -15.145 20.642 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.711 19.092 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.695 20.020 0.443 1.00 0.00 H new ATOM 0 HG SER A 73 -11.928 21.257 1.295 1.00 0.00 H new ATOM 1161 N SER A 74 -16.785 19.152 1.433 1.00 0.00 N ATOM 1162 CA SER A 74 -17.783 18.306 0.790 1.00 0.00 C ATOM 1163 C SER A 74 -18.308 18.958 -0.485 1.00 0.00 C ATOM 1164 O SER A 74 -18.378 20.182 -0.586 1.00 0.00 O ATOM 1165 CB SER A 74 -18.942 18.029 1.749 1.00 0.00 C ATOM 1166 OG SER A 74 -19.551 16.781 1.466 1.00 0.00 O ATOM 0 H SER A 74 -17.113 20.090 1.664 1.00 0.00 H new ATOM 0 HA SER A 74 -17.307 17.362 0.525 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.577 18.035 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.682 18.825 1.669 1.00 0.00 H new ATOM 0 HG SER A 74 -20.288 16.627 2.094 1.00 0.00 H new ATOM 1172 N GLY A 75 -18.677 18.130 -1.458 1.00 0.00 N ATOM 1173 CA GLY A 75 -19.191 18.644 -2.714 1.00 0.00 C ATOM 1174 C GLY A 75 -18.143 18.653 -3.809 1.00 0.00 C ATOM 1175 O GLY A 75 -17.718 19.716 -4.261 1.00 0.00 O ATOM 0 H GLY A 75 -18.629 17.113 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -20.039 18.037 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.563 19.657 -2.563 1.00 0.00 H new TER 1179 GLY A 75