USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 649 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 Single : A 1 GLY N :NH3+ -141:sc= 0.00461 (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 6 SER OG : rot 20:sc= 0.653 USER MOD Single : A 8 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.9!) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.162 F(o=-1.2,f=-0.16) USER MOD Single : A 12 THR OG1 : rot 44:sc= 0.897 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.601 USER MOD Single : A 16 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.69) USER MOD Single : A 18 GLN : amide:sc= -3.25! C(o=-3.3!,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.335 F(o=-3.1,f=-0.33) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.4!) USER MOD Single : A 56 SER OG : rot 71:sc= 0.376 USER MOD Single : A 57 ASN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.0675 X(o=-0.068,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 74 GLN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 75 SER OG : rot 40:sc= 0.982 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.073 -5.022 36.470 1.00 0.00 N ATOM 2 CA GLY A 1 6.118 -3.618 36.106 1.00 0.00 C ATOM 3 C GLY A 1 5.291 -3.314 34.873 1.00 0.00 C ATOM 4 O GLY A 1 4.188 -3.839 34.711 1.00 0.00 O ATOM 0 H1 GLY A 1 6.030 -5.111 37.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.230 -5.463 36.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.927 -5.500 36.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.756 -3.017 36.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.153 -3.325 35.928 1.00 0.00 H new ATOM 8 N SER A 2 5.820 -2.461 34.001 1.00 0.00 N ATOM 9 CA SER A 2 5.120 -2.083 32.780 1.00 0.00 C ATOM 10 C SER A 2 6.037 -2.207 31.567 1.00 0.00 C ATOM 11 O SER A 2 7.260 -2.136 31.690 1.00 0.00 O ATOM 12 CB SER A 2 4.594 -0.651 32.890 1.00 0.00 C ATOM 13 OG SER A 2 5.656 0.286 32.863 1.00 0.00 O ATOM 0 H SER A 2 6.732 -2.019 34.118 1.00 0.00 H new ATOM 0 HA SER A 2 4.278 -2.763 32.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.906 -0.449 32.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.029 -0.538 33.815 1.00 0.00 H new ATOM 0 HG SER A 2 5.293 1.194 32.933 1.00 0.00 H new ATOM 19 N SER A 3 5.437 -2.396 30.396 1.00 0.00 N ATOM 20 CA SER A 3 6.200 -2.534 29.160 1.00 0.00 C ATOM 21 C SER A 3 6.099 -1.269 28.314 1.00 0.00 C ATOM 22 O SER A 3 5.361 -0.343 28.649 1.00 0.00 O ATOM 23 CB SER A 3 5.699 -3.738 28.360 1.00 0.00 C ATOM 24 OG SER A 3 4.443 -3.466 27.763 1.00 0.00 O ATOM 0 H SER A 3 4.426 -2.457 30.277 1.00 0.00 H new ATOM 0 HA SER A 3 7.246 -2.690 29.423 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.425 -3.993 27.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.614 -4.604 29.016 1.00 0.00 H new ATOM 0 HG SER A 3 4.145 -4.250 27.256 1.00 0.00 H new ATOM 30 N GLY A 4 6.846 -1.237 27.215 1.00 0.00 N ATOM 31 CA GLY A 4 6.827 -0.081 26.337 1.00 0.00 C ATOM 32 C GLY A 4 8.088 0.036 25.505 1.00 0.00 C ATOM 33 O GLY A 4 9.102 -0.593 25.810 1.00 0.00 O ATOM 0 H GLY A 4 7.464 -1.991 26.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.963 -0.146 25.675 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.704 0.823 26.934 1.00 0.00 H new ATOM 37 N SER A 5 8.027 0.842 24.450 1.00 0.00 N ATOM 38 CA SER A 5 9.171 1.034 23.567 1.00 0.00 C ATOM 39 C SER A 5 9.134 2.417 22.924 1.00 0.00 C ATOM 40 O SER A 5 8.067 3.005 22.751 1.00 0.00 O ATOM 41 CB SER A 5 9.193 -0.044 22.483 1.00 0.00 C ATOM 42 OG SER A 5 8.133 0.139 21.559 1.00 0.00 O ATOM 0 H SER A 5 7.197 1.373 24.186 1.00 0.00 H new ATOM 0 HA SER A 5 10.078 0.954 24.166 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.147 -0.015 21.957 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.112 -1.029 22.943 1.00 0.00 H new ATOM 0 HG SER A 5 8.170 -0.562 20.875 1.00 0.00 H new ATOM 48 N SER A 6 10.309 2.932 22.573 1.00 0.00 N ATOM 49 CA SER A 6 10.413 4.247 21.953 1.00 0.00 C ATOM 50 C SER A 6 11.593 4.301 20.988 1.00 0.00 C ATOM 51 O SER A 6 12.735 4.044 21.371 1.00 0.00 O ATOM 52 CB SER A 6 10.566 5.328 23.024 1.00 0.00 C ATOM 53 OG SER A 6 11.842 5.263 23.637 1.00 0.00 O ATOM 0 H SER A 6 11.202 2.458 22.708 1.00 0.00 H new ATOM 0 HA SER A 6 9.497 4.430 21.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.425 6.311 22.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.790 5.208 23.780 1.00 0.00 H new ATOM 0 HG SER A 6 12.460 4.774 23.054 1.00 0.00 H new ATOM 59 N GLY A 7 11.310 4.637 19.734 1.00 0.00 N ATOM 60 CA GLY A 7 12.357 4.718 18.732 1.00 0.00 C ATOM 61 C GLY A 7 11.859 4.373 17.343 1.00 0.00 C ATOM 62 O GLY A 7 11.256 3.322 17.137 1.00 0.00 O ATOM 0 H GLY A 7 10.374 4.855 19.393 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.772 5.726 18.726 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.167 4.041 19.002 1.00 0.00 H new ATOM 66 N GLN A 8 12.110 5.263 16.388 1.00 0.00 N ATOM 67 CA GLN A 8 11.681 5.047 15.012 1.00 0.00 C ATOM 68 C GLN A 8 12.687 4.185 14.257 1.00 0.00 C ATOM 69 O GLN A 8 13.888 4.236 14.523 1.00 0.00 O ATOM 70 CB GLN A 8 11.501 6.387 14.295 1.00 0.00 C ATOM 71 CG GLN A 8 10.768 6.275 12.969 1.00 0.00 C ATOM 72 CD GLN A 8 9.353 5.752 13.127 1.00 0.00 C ATOM 73 OE1 GLN A 8 9.103 4.554 12.989 1.00 0.00 O ATOM 74 NE2 GLN A 8 8.419 6.649 13.419 1.00 0.00 N ATOM 0 H GLN A 8 12.608 6.140 16.542 1.00 0.00 H new ATOM 0 HA GLN A 8 10.725 4.523 15.034 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.953 7.067 14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.481 6.831 14.122 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.738 7.254 12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.324 5.613 12.305 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.671 7.632 13.524 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.449 6.355 13.538 1.00 0.00 H new ATOM 83 N ARG A 9 12.188 3.392 13.312 1.00 0.00 N ATOM 84 CA ARG A 9 13.043 2.517 12.519 1.00 0.00 C ATOM 85 C ARG A 9 12.347 2.105 11.225 1.00 0.00 C ATOM 86 O ARG A 9 11.133 2.250 11.088 1.00 0.00 O ATOM 87 CB ARG A 9 13.422 1.274 13.326 1.00 0.00 C ATOM 88 CG ARG A 9 12.224 0.483 13.825 1.00 0.00 C ATOM 89 CD ARG A 9 11.742 -0.515 12.784 1.00 0.00 C ATOM 90 NE ARG A 9 10.599 -1.292 13.257 1.00 0.00 N ATOM 91 CZ ARG A 9 9.948 -2.174 12.508 1.00 0.00 C ATOM 92 NH1 ARG A 9 10.326 -2.391 11.256 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.918 -2.841 13.011 1.00 0.00 N ATOM 0 H ARG A 9 11.197 3.338 13.078 1.00 0.00 H new ATOM 0 HA ARG A 9 13.949 3.067 12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.043 0.625 12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.028 1.576 14.180 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.491 -0.045 14.740 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.414 1.168 14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.467 0.016 11.873 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.557 -1.191 12.525 1.00 0.00 H new ATOM 0 HE ARG A 9 10.283 -1.149 14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.118 -1.880 10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.825 -3.069 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.625 -2.677 13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.419 -3.518 12.435 1.00 0.00 H new ATOM 107 N ASN A 10 13.126 1.593 10.278 1.00 0.00 N ATOM 108 CA ASN A 10 12.586 1.161 8.994 1.00 0.00 C ATOM 109 C ASN A 10 13.473 0.093 8.362 1.00 0.00 C ATOM 110 O ASN A 10 14.621 -0.091 8.764 1.00 0.00 O ATOM 111 CB ASN A 10 12.451 2.355 8.047 1.00 0.00 C ATOM 112 CG ASN A 10 13.763 3.092 7.856 1.00 0.00 C ATOM 113 OD1 ASN A 10 14.687 2.476 7.128 1.00 0.00 O flip ATOM 114 ND2 ASN A 10 13.941 4.203 8.355 1.00 0.00 N flip ATOM 0 H ASN A 10 14.133 1.467 10.376 1.00 0.00 H new ATOM 0 HA ASN A 10 11.600 0.731 9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.088 2.009 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.704 3.044 8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.202 4.638 8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.827 4.688 8.216 1.00 0.00 H new ATOM 121 N ARG A 11 12.932 -0.606 7.370 1.00 0.00 N ATOM 122 CA ARG A 11 13.674 -1.656 6.682 1.00 0.00 C ATOM 123 C ARG A 11 13.297 -1.709 5.204 1.00 0.00 C ATOM 124 O ARG A 11 12.125 -1.853 4.855 1.00 0.00 O ATOM 125 CB ARG A 11 13.405 -3.012 7.337 1.00 0.00 C ATOM 126 CG ARG A 11 14.245 -3.266 8.578 1.00 0.00 C ATOM 127 CD ARG A 11 15.653 -3.713 8.216 1.00 0.00 C ATOM 128 NE ARG A 11 16.472 -3.952 9.401 1.00 0.00 N ATOM 129 CZ ARG A 11 16.949 -2.982 10.173 1.00 0.00 C ATOM 130 NH1 ARG A 11 16.687 -1.714 9.887 1.00 0.00 N ATOM 131 NH2 ARG A 11 17.687 -3.280 11.235 1.00 0.00 N ATOM 0 H ARG A 11 11.983 -0.465 7.025 1.00 0.00 H new ATOM 0 HA ARG A 11 14.737 -1.427 6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.350 -3.074 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.597 -3.802 6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.294 -2.357 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.767 -4.029 9.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.602 -4.624 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.127 -2.952 7.595 1.00 0.00 H new ATOM 0 HE ARG A 11 16.690 -4.917 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.118 -1.482 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.054 -0.971 10.481 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.888 -4.255 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.053 -2.534 11.827 1.00 0.00 H new ATOM 145 N THR A 12 14.299 -1.592 4.338 1.00 0.00 N ATOM 146 CA THR A 12 14.073 -1.625 2.899 1.00 0.00 C ATOM 147 C THR A 12 14.169 -3.047 2.360 1.00 0.00 C ATOM 148 O THR A 12 15.252 -3.516 2.008 1.00 0.00 O ATOM 149 CB THR A 12 15.085 -0.734 2.152 1.00 0.00 C ATOM 150 OG1 THR A 12 16.420 -1.167 2.434 1.00 0.00 O ATOM 151 CG2 THR A 12 14.922 0.724 2.554 1.00 0.00 C ATOM 0 H THR A 12 15.275 -1.474 4.609 1.00 0.00 H new ATOM 0 HA THR A 12 13.067 -1.242 2.727 1.00 0.00 H new ATOM 0 HB THR A 12 14.894 -0.822 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.465 -2.145 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.647 1.333 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.914 1.058 2.310 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.089 0.827 3.626 1.00 0.00 H new ATOM 159 N SER A 13 13.031 -3.729 2.296 1.00 0.00 N ATOM 160 CA SER A 13 12.988 -5.101 1.801 1.00 0.00 C ATOM 161 C SER A 13 12.700 -5.129 0.303 1.00 0.00 C ATOM 162 O SER A 13 13.387 -5.808 -0.460 1.00 0.00 O ATOM 163 CB SER A 13 11.923 -5.902 2.553 1.00 0.00 C ATOM 164 OG SER A 13 12.304 -6.119 3.900 1.00 0.00 O ATOM 0 H SER A 13 12.126 -3.355 2.581 1.00 0.00 H new ATOM 0 HA SER A 13 13.964 -5.555 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.973 -5.368 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.767 -6.860 2.057 1.00 0.00 H new ATOM 0 HG SER A 13 11.606 -6.631 4.359 1.00 0.00 H new ATOM 170 N PHE A 14 11.677 -4.388 -0.110 1.00 0.00 N ATOM 171 CA PHE A 14 11.296 -4.327 -1.517 1.00 0.00 C ATOM 172 C PHE A 14 12.056 -3.219 -2.239 1.00 0.00 C ATOM 173 O PHE A 14 12.739 -2.408 -1.613 1.00 0.00 O ATOM 174 CB PHE A 14 9.789 -4.098 -1.648 1.00 0.00 C ATOM 175 CG PHE A 14 8.961 -5.105 -0.903 1.00 0.00 C ATOM 176 CD1 PHE A 14 8.837 -5.035 0.476 1.00 0.00 C ATOM 177 CD2 PHE A 14 8.308 -6.122 -1.579 1.00 0.00 C ATOM 178 CE1 PHE A 14 8.076 -5.959 1.165 1.00 0.00 C ATOM 179 CE2 PHE A 14 7.545 -7.049 -0.895 1.00 0.00 C ATOM 180 CZ PHE A 14 7.430 -6.968 0.479 1.00 0.00 C ATOM 0 H PHE A 14 11.097 -3.822 0.509 1.00 0.00 H new ATOM 0 HA PHE A 14 11.554 -5.280 -1.980 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.548 -3.100 -1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.516 -4.125 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.341 -4.249 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.396 -6.191 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.986 -5.892 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.039 -7.836 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.836 -7.693 1.016 1.00 0.00 H new ATOM 190 N THR A 15 11.933 -3.192 -3.563 1.00 0.00 N ATOM 191 CA THR A 15 12.609 -2.186 -4.373 1.00 0.00 C ATOM 192 C THR A 15 11.604 -1.280 -5.075 1.00 0.00 C ATOM 193 O THR A 15 10.491 -1.699 -5.388 1.00 0.00 O ATOM 194 CB THR A 15 13.523 -2.836 -5.428 1.00 0.00 C ATOM 195 OG1 THR A 15 12.734 -3.543 -6.391 1.00 0.00 O ATOM 196 CG2 THR A 15 14.510 -3.791 -4.775 1.00 0.00 C ATOM 0 H THR A 15 11.371 -3.855 -4.097 1.00 0.00 H new ATOM 0 HA THR A 15 13.218 -1.590 -3.694 1.00 0.00 H new ATOM 0 HB THR A 15 14.083 -2.045 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.323 -3.952 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.145 -4.238 -5.540 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.129 -3.244 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.965 -4.577 -4.252 1.00 0.00 H new ATOM 204 N GLN A 16 12.006 -0.037 -5.320 1.00 0.00 N ATOM 205 CA GLN A 16 11.139 0.928 -5.987 1.00 0.00 C ATOM 206 C GLN A 16 10.525 0.329 -7.247 1.00 0.00 C ATOM 207 O GLN A 16 9.359 0.571 -7.556 1.00 0.00 O ATOM 208 CB GLN A 16 11.925 2.192 -6.340 1.00 0.00 C ATOM 209 CG GLN A 16 11.056 3.320 -6.874 1.00 0.00 C ATOM 210 CD GLN A 16 10.869 3.251 -8.377 1.00 0.00 C ATOM 211 OE1 GLN A 16 11.840 3.207 -9.133 1.00 0.00 O ATOM 212 NE2 GLN A 16 9.617 3.239 -8.818 1.00 0.00 N ATOM 0 H GLN A 16 12.925 0.325 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 16 10.333 1.189 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.454 2.541 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.681 1.943 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.081 3.283 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.507 4.277 -6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.842 3.277 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.429 3.192 -9.820 1.00 0.00 H new ATOM 221 N GLU A 17 11.318 -0.455 -7.972 1.00 0.00 N ATOM 222 CA GLU A 17 10.852 -1.088 -9.200 1.00 0.00 C ATOM 223 C GLU A 17 9.657 -1.995 -8.924 1.00 0.00 C ATOM 224 O GLU A 17 8.790 -2.174 -9.779 1.00 0.00 O ATOM 225 CB GLU A 17 11.981 -1.893 -9.845 1.00 0.00 C ATOM 226 CG GLU A 17 12.959 -1.044 -10.639 1.00 0.00 C ATOM 227 CD GLU A 17 14.157 -1.835 -11.127 1.00 0.00 C ATOM 228 OE1 GLU A 17 13.956 -2.809 -11.883 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.294 -1.482 -10.753 1.00 0.00 O ATOM 0 H GLU A 17 12.286 -0.667 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 17 10.538 -0.303 -9.888 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.526 -2.427 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.548 -2.646 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.444 -0.608 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.303 -0.217 -10.018 1.00 0.00 H new ATOM 236 N GLN A 18 9.620 -2.567 -7.725 1.00 0.00 N ATOM 237 CA GLN A 18 8.533 -3.457 -7.336 1.00 0.00 C ATOM 238 C GLN A 18 7.389 -2.675 -6.698 1.00 0.00 C ATOM 239 O GLN A 18 6.217 -2.991 -6.907 1.00 0.00 O ATOM 240 CB GLN A 18 9.041 -4.523 -6.364 1.00 0.00 C ATOM 241 CG GLN A 18 10.169 -5.373 -6.927 1.00 0.00 C ATOM 242 CD GLN A 18 10.748 -6.328 -5.902 1.00 0.00 C ATOM 243 OE1 GLN A 18 10.771 -6.035 -4.706 1.00 0.00 O ATOM 244 NE2 GLN A 18 11.219 -7.479 -6.365 1.00 0.00 N ATOM 0 H GLN A 18 10.330 -2.430 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 18 8.158 -3.944 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.385 -4.036 -5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.212 -5.173 -6.085 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.799 -5.942 -7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.960 -4.721 -7.298 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.180 -7.681 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.620 -8.162 -5.722 1.00 0.00 H new ATOM 253 N ILE A 19 7.738 -1.654 -5.923 1.00 0.00 N ATOM 254 CA ILE A 19 6.740 -0.826 -5.257 1.00 0.00 C ATOM 255 C ILE A 19 5.832 -0.138 -6.270 1.00 0.00 C ATOM 256 O ILE A 19 4.637 0.032 -6.031 1.00 0.00 O ATOM 257 CB ILE A 19 7.400 0.243 -4.365 1.00 0.00 C ATOM 258 CG1 ILE A 19 8.305 -0.419 -3.325 1.00 0.00 C ATOM 259 CG2 ILE A 19 6.338 1.095 -3.687 1.00 0.00 C ATOM 260 CD1 ILE A 19 9.062 0.571 -2.466 1.00 0.00 C ATOM 0 H ILE A 19 8.704 -1.380 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 19 6.144 -1.491 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 19 8.012 0.892 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.699 -1.058 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.019 -1.066 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.819 1.846 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.730 1.590 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.702 0.461 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.684 0.032 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.694 1.193 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.354 1.202 -1.928 1.00 0.00 H new ATOM 272 N GLU A 20 6.408 0.255 -7.402 1.00 0.00 N ATOM 273 CA GLU A 20 5.649 0.924 -8.452 1.00 0.00 C ATOM 274 C GLU A 20 4.547 0.016 -8.990 1.00 0.00 C ATOM 275 O GLU A 20 3.429 0.463 -9.245 1.00 0.00 O ATOM 276 CB GLU A 20 6.577 1.349 -9.591 1.00 0.00 C ATOM 277 CG GLU A 20 7.397 0.206 -10.166 1.00 0.00 C ATOM 278 CD GLU A 20 8.102 0.584 -11.455 1.00 0.00 C ATOM 279 OE1 GLU A 20 9.014 1.436 -11.404 1.00 0.00 O ATOM 280 OE2 GLU A 20 7.742 0.027 -12.512 1.00 0.00 O ATOM 0 H GLU A 20 7.397 0.122 -7.615 1.00 0.00 H new ATOM 0 HA GLU A 20 5.186 1.811 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.981 1.794 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.253 2.123 -9.228 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.137 -0.111 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.745 -0.648 -10.350 1.00 0.00 H new ATOM 287 N ALA A 21 4.872 -1.261 -9.160 1.00 0.00 N ATOM 288 CA ALA A 21 3.910 -2.233 -9.668 1.00 0.00 C ATOM 289 C ALA A 21 3.001 -2.739 -8.552 1.00 0.00 C ATOM 290 O ALA A 21 1.868 -3.149 -8.800 1.00 0.00 O ATOM 291 CB ALA A 21 4.635 -3.397 -10.328 1.00 0.00 C ATOM 0 H ALA A 21 5.793 -1.647 -8.954 1.00 0.00 H new ATOM 0 HA ALA A 21 3.287 -1.737 -10.413 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.905 -4.115 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.238 -3.027 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.281 -3.884 -9.598 1.00 0.00 H new ATOM 297 N LEU A 22 3.506 -2.705 -7.323 1.00 0.00 N ATOM 298 CA LEU A 22 2.739 -3.160 -6.170 1.00 0.00 C ATOM 299 C LEU A 22 1.719 -2.109 -5.744 1.00 0.00 C ATOM 300 O LEU A 22 0.697 -2.431 -5.139 1.00 0.00 O ATOM 301 CB LEU A 22 3.676 -3.480 -5.003 1.00 0.00 C ATOM 302 CG LEU A 22 4.419 -4.814 -5.086 1.00 0.00 C ATOM 303 CD1 LEU A 22 5.701 -4.761 -4.270 1.00 0.00 C ATOM 304 CD2 LEU A 22 3.527 -5.951 -4.608 1.00 0.00 C ATOM 0 H LEU A 22 4.442 -2.367 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 22 2.203 -4.065 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.413 -2.681 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.094 -3.468 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 22 4.682 -4.998 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.217 -5.719 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.346 -3.972 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.460 -4.554 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.072 -6.893 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.234 -5.773 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.636 -6.002 -5.234 1.00 0.00 H new ATOM 316 N GLU A 23 2.004 -0.851 -6.067 1.00 0.00 N ATOM 317 CA GLU A 23 1.109 0.247 -5.719 1.00 0.00 C ATOM 318 C GLU A 23 -0.059 0.329 -6.697 1.00 0.00 C ATOM 319 O GLU A 23 -1.205 0.535 -6.298 1.00 0.00 O ATOM 320 CB GLU A 23 1.874 1.573 -5.710 1.00 0.00 C ATOM 321 CG GLU A 23 2.478 1.917 -4.359 1.00 0.00 C ATOM 322 CD GLU A 23 2.619 3.412 -4.147 1.00 0.00 C ATOM 323 OE1 GLU A 23 1.675 4.153 -4.493 1.00 0.00 O ATOM 324 OE2 GLU A 23 3.674 3.842 -3.636 1.00 0.00 O ATOM 0 H GLU A 23 2.846 -0.567 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 23 0.712 0.056 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.670 1.529 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.199 2.374 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.854 1.499 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.458 1.448 -4.273 1.00 0.00 H new ATOM 331 N LYS A 24 0.239 0.164 -7.982 1.00 0.00 N ATOM 332 CA LYS A 24 -0.785 0.218 -9.018 1.00 0.00 C ATOM 333 C LYS A 24 -1.856 -0.842 -8.780 1.00 0.00 C ATOM 334 O LYS A 24 -3.050 -0.566 -8.894 1.00 0.00 O ATOM 335 CB LYS A 24 -0.153 0.019 -10.397 1.00 0.00 C ATOM 336 CG LYS A 24 -0.895 0.732 -11.515 1.00 0.00 C ATOM 337 CD LYS A 24 -0.095 0.728 -12.807 1.00 0.00 C ATOM 338 CE LYS A 24 -0.833 1.453 -13.921 1.00 0.00 C ATOM 339 NZ LYS A 24 -0.453 0.938 -15.265 1.00 0.00 N ATOM 0 H LYS A 24 1.182 -0.008 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.256 1.200 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.877 0.376 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.115 -1.047 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.857 0.248 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.102 1.760 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.871 1.204 -12.639 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.104 -0.300 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.908 1.339 -13.779 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.616 2.520 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.978 1.458 -15.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.568 1.070 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.684 -0.074 -15.327 1.00 0.00 H new ATOM 353 N GLU A 25 -1.421 -2.052 -8.447 1.00 0.00 N ATOM 354 CA GLU A 25 -2.345 -3.152 -8.192 1.00 0.00 C ATOM 355 C GLU A 25 -3.221 -2.856 -6.979 1.00 0.00 C ATOM 356 O GLU A 25 -4.384 -3.257 -6.927 1.00 0.00 O ATOM 357 CB GLU A 25 -1.573 -4.455 -7.973 1.00 0.00 C ATOM 358 CG GLU A 25 -2.463 -5.641 -7.640 1.00 0.00 C ATOM 359 CD GLU A 25 -3.609 -5.802 -8.620 1.00 0.00 C ATOM 360 OE1 GLU A 25 -4.674 -5.189 -8.393 1.00 0.00 O ATOM 361 OE2 GLU A 25 -3.442 -6.541 -9.612 1.00 0.00 O ATOM 0 H GLU A 25 -0.436 -2.296 -8.347 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.989 -3.262 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.999 -4.683 -8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.856 -4.311 -7.165 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.863 -6.551 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.864 -5.519 -6.634 1.00 0.00 H new ATOM 368 N PHE A 26 -2.654 -2.152 -6.004 1.00 0.00 N ATOM 369 CA PHE A 26 -3.383 -1.803 -4.790 1.00 0.00 C ATOM 370 C PHE A 26 -4.449 -0.751 -5.079 1.00 0.00 C ATOM 371 O PHE A 26 -5.586 -0.862 -4.620 1.00 0.00 O ATOM 372 CB PHE A 26 -2.417 -1.287 -3.722 1.00 0.00 C ATOM 373 CG PHE A 26 -3.070 -1.044 -2.391 1.00 0.00 C ATOM 374 CD1 PHE A 26 -4.037 -0.063 -2.248 1.00 0.00 C ATOM 375 CD2 PHE A 26 -2.715 -1.797 -1.284 1.00 0.00 C ATOM 376 CE1 PHE A 26 -4.640 0.162 -1.024 1.00 0.00 C ATOM 377 CE2 PHE A 26 -3.315 -1.576 -0.058 1.00 0.00 C ATOM 378 CZ PHE A 26 -4.277 -0.595 0.072 1.00 0.00 C ATOM 0 H PHE A 26 -1.693 -1.812 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.877 -2.702 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.609 -2.008 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.964 -0.359 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.323 0.533 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.962 -2.565 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.394 0.929 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.031 -2.171 0.798 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.745 -0.420 1.029 1.00 0.00 H new ATOM 388 N GLU A 27 -4.073 0.270 -5.843 1.00 0.00 N ATOM 389 CA GLU A 27 -4.998 1.343 -6.192 1.00 0.00 C ATOM 390 C GLU A 27 -6.286 0.780 -6.786 1.00 0.00 C ATOM 391 O GLU A 27 -7.373 1.310 -6.553 1.00 0.00 O ATOM 392 CB GLU A 27 -4.344 2.306 -7.186 1.00 0.00 C ATOM 393 CG GLU A 27 -3.176 3.084 -6.601 1.00 0.00 C ATOM 394 CD GLU A 27 -2.482 3.955 -7.629 1.00 0.00 C ATOM 395 OE1 GLU A 27 -2.188 3.450 -8.733 1.00 0.00 O ATOM 396 OE2 GLU A 27 -2.234 5.141 -7.331 1.00 0.00 O ATOM 0 H GLU A 27 -3.136 0.377 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.246 1.885 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.997 1.741 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.095 3.010 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.534 3.709 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.455 2.385 -6.176 1.00 0.00 H new ATOM 403 N ARG A 28 -6.155 -0.297 -7.554 1.00 0.00 N ATOM 404 CA ARG A 28 -7.307 -0.931 -8.183 1.00 0.00 C ATOM 405 C ARG A 28 -8.036 -1.836 -7.195 1.00 0.00 C ATOM 406 O ARG A 28 -9.262 -1.796 -7.086 1.00 0.00 O ATOM 407 CB ARG A 28 -6.867 -1.740 -9.404 1.00 0.00 C ATOM 408 CG ARG A 28 -7.933 -1.842 -10.483 1.00 0.00 C ATOM 409 CD ARG A 28 -7.950 -0.606 -11.368 1.00 0.00 C ATOM 410 NE ARG A 28 -6.776 -0.537 -12.234 1.00 0.00 N ATOM 411 CZ ARG A 28 -6.323 0.592 -12.769 1.00 0.00 C ATOM 412 NH1 ARG A 28 -6.943 1.739 -12.528 1.00 0.00 N ATOM 413 NH2 ARG A 28 -5.248 0.574 -13.547 1.00 0.00 N ATOM 0 H ARG A 28 -5.263 -0.748 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.992 -0.146 -8.504 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.974 -1.283 -9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.589 -2.744 -9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.750 -2.726 -11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.911 -1.972 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.852 -0.611 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.993 0.286 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.277 -1.402 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.770 1.756 -11.931 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.593 2.604 -12.940 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.769 -0.307 -13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.901 1.441 -13.957 1.00 0.00 H new ATOM 427 N THR A 29 -7.274 -2.654 -6.476 1.00 0.00 N ATOM 428 CA THR A 29 -7.846 -3.571 -5.498 1.00 0.00 C ATOM 429 C THR A 29 -6.922 -3.742 -4.298 1.00 0.00 C ATOM 430 O THR A 29 -5.751 -4.092 -4.448 1.00 0.00 O ATOM 431 CB THR A 29 -8.124 -4.953 -6.119 1.00 0.00 C ATOM 432 OG1 THR A 29 -8.678 -5.830 -5.132 1.00 0.00 O ATOM 433 CG2 THR A 29 -6.848 -5.558 -6.685 1.00 0.00 C ATOM 0 H THR A 29 -6.258 -2.700 -6.553 1.00 0.00 H new ATOM 0 HA THR A 29 -8.788 -3.133 -5.168 1.00 0.00 H new ATOM 0 HB THR A 29 -8.838 -4.825 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.854 -6.706 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.069 -6.534 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.445 -4.901 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.115 -5.673 -5.887 1.00 0.00 H new ATOM 441 N HIS A 30 -7.456 -3.493 -3.105 1.00 0.00 N ATOM 442 CA HIS A 30 -6.678 -3.621 -1.879 1.00 0.00 C ATOM 443 C HIS A 30 -6.417 -5.088 -1.551 1.00 0.00 C ATOM 444 O HIS A 30 -5.558 -5.408 -0.730 1.00 0.00 O ATOM 445 CB HIS A 30 -7.407 -2.948 -0.715 1.00 0.00 C ATOM 446 CG HIS A 30 -7.639 -1.483 -0.921 1.00 0.00 C ATOM 447 ND1 HIS A 30 -7.505 -0.712 -2.025 1.00 0.00 N flip ATOM 448 CD2 HIS A 30 -8.061 -0.640 0.085 1.00 0.00 C flip ATOM 449 CE1 HIS A 30 -7.845 0.571 -1.669 1.00 0.00 C flip ATOM 450 NE2 HIS A 30 -8.178 0.587 -0.392 1.00 0.00 N flip ATOM 0 H HIS A 30 -8.423 -3.202 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.719 -3.126 -2.033 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.367 -3.442 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -6.828 -3.091 0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -8.264 -0.936 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.840 1.427 -2.327 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.475 1.407 0.137 1.00 0.00 H new ATOM 459 N TYR A 31 -7.166 -5.975 -2.198 1.00 0.00 N ATOM 460 CA TYR A 31 -7.017 -7.408 -1.972 1.00 0.00 C ATOM 461 C TYR A 31 -6.874 -8.155 -3.294 1.00 0.00 C ATOM 462 O TYR A 31 -7.830 -8.723 -3.823 1.00 0.00 O ATOM 463 CB TYR A 31 -8.218 -7.951 -1.195 1.00 0.00 C ATOM 464 CG TYR A 31 -8.522 -7.175 0.066 1.00 0.00 C ATOM 465 CD1 TYR A 31 -7.569 -7.036 1.067 1.00 0.00 C ATOM 466 CD2 TYR A 31 -9.764 -6.581 0.259 1.00 0.00 C ATOM 467 CE1 TYR A 31 -7.842 -6.329 2.222 1.00 0.00 C ATOM 468 CE2 TYR A 31 -10.046 -5.872 1.410 1.00 0.00 C ATOM 469 CZ TYR A 31 -9.083 -5.748 2.389 1.00 0.00 C ATOM 470 OH TYR A 31 -9.361 -5.044 3.537 1.00 0.00 O ATOM 0 H TYR A 31 -7.881 -5.727 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.112 -7.565 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.095 -7.936 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.031 -8.993 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.597 -7.489 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.522 -6.676 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.089 -6.231 2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.016 -5.417 1.543 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.277 -4.699 3.495 1.00 0.00 H new ATOM 480 N PRO A 32 -5.650 -8.157 -3.842 1.00 0.00 N ATOM 481 CA PRO A 32 -5.350 -8.831 -5.109 1.00 0.00 C ATOM 482 C PRO A 32 -5.402 -10.349 -4.984 1.00 0.00 C ATOM 483 O PRO A 32 -4.451 -10.977 -4.517 1.00 0.00 O ATOM 484 CB PRO A 32 -3.926 -8.369 -5.428 1.00 0.00 C ATOM 485 CG PRO A 32 -3.333 -8.030 -4.105 1.00 0.00 C ATOM 486 CD PRO A 32 -4.464 -7.501 -3.268 1.00 0.00 C ATOM 0 HA PRO A 32 -6.076 -8.585 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.358 -9.154 -5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.930 -7.506 -6.093 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -2.883 -8.908 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.544 -7.285 -4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.336 -7.752 -2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.536 -6.415 -3.330 1.00 0.00 H new ATOM 494 N ASP A 33 -6.518 -10.935 -5.405 1.00 0.00 N ATOM 495 CA ASP A 33 -6.694 -12.381 -5.340 1.00 0.00 C ATOM 496 C ASP A 33 -5.495 -13.102 -5.951 1.00 0.00 C ATOM 497 O ASP A 33 -4.597 -12.471 -6.508 1.00 0.00 O ATOM 498 CB ASP A 33 -7.976 -12.793 -6.066 1.00 0.00 C ATOM 499 CG ASP A 33 -9.171 -11.959 -5.648 1.00 0.00 C ATOM 500 OD1 ASP A 33 -9.207 -10.760 -5.993 1.00 0.00 O ATOM 501 OD2 ASP A 33 -10.070 -12.507 -4.974 1.00 0.00 O ATOM 0 H ASP A 33 -7.314 -10.431 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.772 -12.666 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.828 -12.697 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.182 -13.844 -5.865 1.00 0.00 H new ATOM 506 N VAL A 34 -5.489 -14.426 -5.841 1.00 0.00 N ATOM 507 CA VAL A 34 -4.401 -15.233 -6.383 1.00 0.00 C ATOM 508 C VAL A 34 -4.124 -14.876 -7.839 1.00 0.00 C ATOM 509 O VAL A 34 -2.972 -14.826 -8.269 1.00 0.00 O ATOM 510 CB VAL A 34 -4.716 -16.737 -6.285 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.981 -17.070 -7.060 1.00 0.00 C ATOM 512 CG2 VAL A 34 -3.539 -17.560 -6.787 1.00 0.00 C ATOM 0 H VAL A 34 -6.225 -14.963 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.516 -15.015 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.885 -16.988 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.187 -18.137 -6.979 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.819 -16.506 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.846 -16.805 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.778 -18.621 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.336 -17.307 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.659 -17.342 -6.182 1.00 0.00 H new ATOM 522 N PHE A 35 -5.189 -14.629 -8.594 1.00 0.00 N ATOM 523 CA PHE A 35 -5.062 -14.277 -10.003 1.00 0.00 C ATOM 524 C PHE A 35 -4.279 -12.978 -10.171 1.00 0.00 C ATOM 525 O PHE A 35 -3.708 -12.717 -11.229 1.00 0.00 O ATOM 526 CB PHE A 35 -6.445 -14.139 -10.644 1.00 0.00 C ATOM 527 CG PHE A 35 -7.048 -15.451 -11.056 1.00 0.00 C ATOM 528 CD1 PHE A 35 -6.328 -16.348 -11.827 1.00 0.00 C ATOM 529 CD2 PHE A 35 -8.337 -15.787 -10.673 1.00 0.00 C ATOM 530 CE1 PHE A 35 -6.880 -17.557 -12.207 1.00 0.00 C ATOM 531 CE2 PHE A 35 -8.894 -16.993 -11.050 1.00 0.00 C ATOM 532 CZ PHE A 35 -8.165 -17.879 -11.820 1.00 0.00 C ATOM 0 H PHE A 35 -6.150 -14.666 -8.254 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.516 -15.077 -10.503 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.115 -13.645 -9.940 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.369 -13.493 -11.518 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.323 -16.100 -12.135 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.912 -15.098 -10.073 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.306 -18.249 -12.806 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.899 -17.244 -10.743 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.600 -18.821 -12.118 1.00 0.00 H new ATOM 542 N ALA A 36 -4.259 -12.166 -9.119 1.00 0.00 N ATOM 543 CA ALA A 36 -3.546 -10.895 -9.148 1.00 0.00 C ATOM 544 C ALA A 36 -2.128 -11.049 -8.606 1.00 0.00 C ATOM 545 O ALA A 36 -1.164 -10.611 -9.234 1.00 0.00 O ATOM 546 CB ALA A 36 -4.307 -9.845 -8.352 1.00 0.00 C ATOM 0 H ALA A 36 -4.729 -12.366 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.477 -10.568 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.763 -8.901 -8.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.298 -9.707 -8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.406 -10.174 -7.318 1.00 0.00 H new ATOM 552 N ARG A 37 -2.011 -11.670 -7.437 1.00 0.00 N ATOM 553 CA ARG A 37 -0.712 -11.879 -6.811 1.00 0.00 C ATOM 554 C ARG A 37 0.203 -12.697 -7.715 1.00 0.00 C ATOM 555 O ARG A 37 1.405 -12.439 -7.797 1.00 0.00 O ATOM 556 CB ARG A 37 -0.879 -12.584 -5.463 1.00 0.00 C ATOM 557 CG ARG A 37 -1.271 -11.650 -4.331 1.00 0.00 C ATOM 558 CD ARG A 37 -0.756 -12.152 -2.990 1.00 0.00 C ATOM 559 NE ARG A 37 -1.549 -13.269 -2.484 1.00 0.00 N ATOM 560 CZ ARG A 37 -2.771 -13.135 -1.981 1.00 0.00 C ATOM 561 NH1 ARG A 37 -3.338 -11.939 -1.918 1.00 0.00 N ATOM 562 NH2 ARG A 37 -3.429 -14.200 -1.540 1.00 0.00 N ATOM 0 H ARG A 37 -2.800 -12.037 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.254 -10.903 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.637 -13.361 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.056 -13.082 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.873 -10.654 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.356 -11.557 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.284 -12.463 -3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.774 -11.337 -2.266 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.142 -14.204 -2.519 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.836 -11.118 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.277 -11.839 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.996 -15.122 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.367 -14.096 -1.154 1.00 0.00 H new ATOM 576 N GLU A 38 -0.372 -13.685 -8.394 1.00 0.00 N ATOM 577 CA GLU A 38 0.393 -14.542 -9.292 1.00 0.00 C ATOM 578 C GLU A 38 0.940 -13.742 -10.471 1.00 0.00 C ATOM 579 O GLU A 38 2.149 -13.714 -10.707 1.00 0.00 O ATOM 580 CB GLU A 38 -0.480 -15.691 -9.802 1.00 0.00 C ATOM 581 CG GLU A 38 -0.637 -16.825 -8.803 1.00 0.00 C ATOM 582 CD GLU A 38 -1.027 -18.134 -9.463 1.00 0.00 C ATOM 583 OE1 GLU A 38 -0.690 -18.321 -10.651 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.668 -18.969 -8.791 1.00 0.00 O ATOM 0 H GLU A 38 -1.365 -13.912 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 38 1.233 -14.954 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.466 -15.302 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.047 -16.085 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.300 -16.960 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.394 -16.554 -8.067 1.00 0.00 H new ATOM 591 N ARG A 39 0.044 -13.095 -11.208 1.00 0.00 N ATOM 592 CA ARG A 39 0.436 -12.297 -12.363 1.00 0.00 C ATOM 593 C ARG A 39 1.491 -11.264 -11.976 1.00 0.00 C ATOM 594 O ARG A 39 2.478 -11.072 -12.689 1.00 0.00 O ATOM 595 CB ARG A 39 -0.783 -11.596 -12.964 1.00 0.00 C ATOM 596 CG ARG A 39 -1.514 -12.432 -14.003 1.00 0.00 C ATOM 597 CD ARG A 39 -0.966 -12.188 -15.400 1.00 0.00 C ATOM 598 NE ARG A 39 0.199 -13.021 -15.684 1.00 0.00 N ATOM 599 CZ ARG A 39 0.680 -13.222 -16.905 1.00 0.00 C ATOM 600 NH1 ARG A 39 0.098 -12.651 -17.951 1.00 0.00 N ATOM 601 NH2 ARG A 39 1.745 -13.993 -17.082 1.00 0.00 N ATOM 0 H ARG A 39 -0.959 -13.108 -11.026 1.00 0.00 H new ATOM 0 HA ARG A 39 0.864 -12.968 -13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.476 -11.340 -12.163 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.464 -10.660 -13.422 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.419 -13.489 -13.753 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.577 -12.193 -13.981 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.745 -12.391 -16.135 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.695 -11.138 -15.505 1.00 0.00 H new ATOM 0 HE ARG A 39 0.670 -13.474 -14.901 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.720 -12.057 -17.818 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.469 -12.806 -18.889 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.196 -14.432 -16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.113 -14.146 -18.021 1.00 0.00 H new ATOM 615 N LEU A 40 1.275 -10.601 -10.846 1.00 0.00 N ATOM 616 CA LEU A 40 2.206 -9.586 -10.365 1.00 0.00 C ATOM 617 C LEU A 40 3.528 -10.217 -9.941 1.00 0.00 C ATOM 618 O LEU A 40 4.600 -9.669 -10.200 1.00 0.00 O ATOM 619 CB LEU A 40 1.594 -8.820 -9.191 1.00 0.00 C ATOM 620 CG LEU A 40 2.039 -7.365 -9.033 1.00 0.00 C ATOM 621 CD1 LEU A 40 1.118 -6.439 -9.809 1.00 0.00 C ATOM 622 CD2 LEU A 40 2.076 -6.975 -7.563 1.00 0.00 C ATOM 0 H LEU A 40 0.464 -10.748 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 40 2.402 -8.891 -11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.509 -8.838 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.833 -9.354 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 40 3.046 -7.267 -9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.450 -5.408 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.143 -6.703 -10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.100 -6.540 -9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.395 -5.937 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.082 -7.090 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.778 -7.619 -7.033 1.00 0.00 H new ATOM 634 N ALA A 41 3.446 -11.373 -9.291 1.00 0.00 N ATOM 635 CA ALA A 41 4.636 -12.081 -8.836 1.00 0.00 C ATOM 636 C ALA A 41 5.699 -12.125 -9.927 1.00 0.00 C ATOM 637 O ALA A 41 6.895 -12.065 -9.644 1.00 0.00 O ATOM 638 CB ALA A 41 4.273 -13.491 -8.392 1.00 0.00 C ATOM 0 H ALA A 41 2.567 -11.840 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 41 5.049 -11.539 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.171 -14.009 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.554 -13.441 -7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.834 -14.034 -9.229 1.00 0.00 H new ATOM 644 N ALA A 42 5.256 -12.231 -11.175 1.00 0.00 N ATOM 645 CA ALA A 42 6.170 -12.281 -12.309 1.00 0.00 C ATOM 646 C ALA A 42 6.426 -10.887 -12.871 1.00 0.00 C ATOM 647 O ALA A 42 7.390 -10.669 -13.606 1.00 0.00 O ATOM 648 CB ALA A 42 5.617 -13.196 -13.393 1.00 0.00 C ATOM 0 H ALA A 42 4.269 -12.284 -11.427 1.00 0.00 H new ATOM 0 HA ALA A 42 7.121 -12.683 -11.959 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.310 -13.224 -14.234 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.493 -14.202 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.652 -12.818 -13.731 1.00 0.00 H new ATOM 654 N LYS A 43 5.557 -9.945 -12.521 1.00 0.00 N ATOM 655 CA LYS A 43 5.689 -8.570 -12.989 1.00 0.00 C ATOM 656 C LYS A 43 6.760 -7.826 -12.199 1.00 0.00 C ATOM 657 O LYS A 43 7.468 -6.978 -12.742 1.00 0.00 O ATOM 658 CB LYS A 43 4.350 -7.838 -12.868 1.00 0.00 C ATOM 659 CG LYS A 43 4.401 -6.396 -13.343 1.00 0.00 C ATOM 660 CD LYS A 43 3.060 -5.946 -13.900 1.00 0.00 C ATOM 661 CE LYS A 43 2.164 -5.379 -12.809 1.00 0.00 C ATOM 662 NZ LYS A 43 1.241 -4.337 -13.335 1.00 0.00 N ATOM 0 H LYS A 43 4.753 -10.108 -11.915 1.00 0.00 H new ATOM 0 HA LYS A 43 5.989 -8.597 -14.037 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.598 -8.376 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.027 -7.858 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.688 -5.749 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.169 -6.291 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.220 -5.191 -14.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.562 -6.789 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.584 -6.185 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.781 -4.952 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.648 -3.976 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.795 -3.555 -13.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.635 -4.750 -14.072 1.00 0.00 H new ATOM 676 N ILE A 44 6.874 -8.150 -10.915 1.00 0.00 N ATOM 677 CA ILE A 44 7.861 -7.514 -10.052 1.00 0.00 C ATOM 678 C ILE A 44 8.920 -8.514 -9.598 1.00 0.00 C ATOM 679 O ILE A 44 9.876 -8.152 -8.912 1.00 0.00 O ATOM 680 CB ILE A 44 7.202 -6.883 -8.812 1.00 0.00 C ATOM 681 CG1 ILE A 44 6.146 -7.827 -8.233 1.00 0.00 C ATOM 682 CG2 ILE A 44 6.582 -5.540 -9.167 1.00 0.00 C ATOM 683 CD1 ILE A 44 5.448 -7.276 -7.009 1.00 0.00 C ATOM 0 H ILE A 44 6.295 -8.849 -10.450 1.00 0.00 H new ATOM 0 HA ILE A 44 8.335 -6.728 -10.640 1.00 0.00 H new ATOM 0 HB ILE A 44 7.969 -6.718 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.402 -8.041 -9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.619 -8.774 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.120 -5.107 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.356 -4.868 -9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.825 -5.681 -9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.713 -7.998 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.182 -7.089 -6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.945 -6.344 -7.266 1.00 0.00 H new ATOM 695 N ASP A 45 8.744 -9.771 -9.987 1.00 0.00 N ATOM 696 CA ASP A 45 9.686 -10.823 -9.624 1.00 0.00 C ATOM 697 C ASP A 45 9.686 -11.054 -8.116 1.00 0.00 C ATOM 698 O ASP A 45 10.742 -11.210 -7.501 1.00 0.00 O ATOM 699 CB ASP A 45 11.094 -10.463 -10.097 1.00 0.00 C ATOM 700 CG ASP A 45 11.935 -11.689 -10.398 1.00 0.00 C ATOM 701 OD1 ASP A 45 11.351 -12.746 -10.713 1.00 0.00 O ATOM 702 OD2 ASP A 45 13.177 -11.589 -10.317 1.00 0.00 O ATOM 0 H ASP A 45 7.957 -10.087 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 45 9.372 -11.744 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.026 -9.844 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.589 -9.865 -9.332 1.00 0.00 H new ATOM 707 N LEU A 46 8.495 -11.075 -7.525 1.00 0.00 N ATOM 708 CA LEU A 46 8.358 -11.286 -6.088 1.00 0.00 C ATOM 709 C LEU A 46 7.480 -12.498 -5.797 1.00 0.00 C ATOM 710 O LEU A 46 6.578 -12.840 -6.562 1.00 0.00 O ATOM 711 CB LEU A 46 7.766 -10.041 -5.424 1.00 0.00 C ATOM 712 CG LEU A 46 8.758 -8.935 -5.065 1.00 0.00 C ATOM 713 CD1 LEU A 46 8.022 -7.655 -4.700 1.00 0.00 C ATOM 714 CD2 LEU A 46 9.661 -9.378 -3.923 1.00 0.00 C ATOM 0 H LEU A 46 7.612 -10.949 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 46 9.350 -11.472 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.012 -9.622 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.251 -10.349 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 46 9.381 -8.735 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.745 -6.879 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.419 -7.328 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.374 -7.840 -3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.361 -8.578 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.054 -9.607 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.216 -10.267 -4.222 1.00 0.00 H new ATOM 726 N PRO A 47 7.746 -13.164 -4.664 1.00 0.00 N ATOM 727 CA PRO A 47 6.988 -14.347 -4.244 1.00 0.00 C ATOM 728 C PRO A 47 5.563 -14.004 -3.824 1.00 0.00 C ATOM 729 O PRO A 47 5.338 -13.044 -3.087 1.00 0.00 O ATOM 730 CB PRO A 47 7.787 -14.873 -3.048 1.00 0.00 C ATOM 731 CG PRO A 47 8.500 -13.679 -2.513 1.00 0.00 C ATOM 732 CD PRO A 47 8.806 -12.812 -3.704 1.00 0.00 C ATOM 0 HA PRO A 47 6.879 -15.070 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.131 -15.312 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.489 -15.650 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.881 -13.146 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.415 -13.970 -1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.780 -11.753 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.798 -13.018 -4.107 1.00 0.00 H new ATOM 740 N GLU A 48 4.605 -14.795 -4.296 1.00 0.00 N ATOM 741 CA GLU A 48 3.202 -14.574 -3.969 1.00 0.00 C ATOM 742 C GLU A 48 3.026 -14.319 -2.474 1.00 0.00 C ATOM 743 O GLU A 48 2.046 -13.707 -2.049 1.00 0.00 O ATOM 744 CB GLU A 48 2.360 -15.777 -4.395 1.00 0.00 C ATOM 745 CG GLU A 48 0.932 -15.418 -4.774 1.00 0.00 C ATOM 746 CD GLU A 48 0.019 -16.628 -4.822 1.00 0.00 C ATOM 747 OE1 GLU A 48 -0.155 -17.281 -3.771 1.00 0.00 O ATOM 748 OE2 GLU A 48 -0.521 -16.921 -5.908 1.00 0.00 O ATOM 0 H GLU A 48 4.775 -15.595 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 48 2.863 -13.692 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.841 -16.264 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.340 -16.502 -3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.539 -14.699 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.931 -14.928 -5.748 1.00 0.00 H new ATOM 755 N ALA A 49 3.981 -14.794 -1.683 1.00 0.00 N ATOM 756 CA ALA A 49 3.934 -14.617 -0.236 1.00 0.00 C ATOM 757 C ALA A 49 4.277 -13.184 0.154 1.00 0.00 C ATOM 758 O ALA A 49 3.658 -12.609 1.049 1.00 0.00 O ATOM 759 CB ALA A 49 4.880 -15.593 0.447 1.00 0.00 C ATOM 0 H ALA A 49 4.797 -15.305 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 49 2.916 -14.822 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.834 -15.449 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.587 -16.614 0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.898 -15.416 0.100 1.00 0.00 H new ATOM 765 N ARG A 50 5.269 -12.614 -0.523 1.00 0.00 N ATOM 766 CA ARG A 50 5.696 -11.248 -0.246 1.00 0.00 C ATOM 767 C ARG A 50 4.568 -10.258 -0.521 1.00 0.00 C ATOM 768 O ARG A 50 4.202 -9.464 0.345 1.00 0.00 O ATOM 769 CB ARG A 50 6.920 -10.892 -1.093 1.00 0.00 C ATOM 770 CG ARG A 50 8.242 -11.232 -0.426 1.00 0.00 C ATOM 771 CD ARG A 50 8.756 -10.074 0.417 1.00 0.00 C ATOM 772 NE ARG A 50 9.843 -10.482 1.302 1.00 0.00 N ATOM 773 CZ ARG A 50 10.229 -9.780 2.362 1.00 0.00 C ATOM 774 NH1 ARG A 50 9.619 -8.643 2.668 1.00 0.00 N ATOM 775 NH2 ARG A 50 11.227 -10.216 3.120 1.00 0.00 N ATOM 0 H ARG A 50 5.792 -13.077 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 50 5.962 -11.184 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.858 -11.418 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.899 -9.825 -1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.117 -12.114 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.980 -11.485 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.102 -9.275 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.938 -9.667 1.011 1.00 0.00 H new ATOM 0 HE ARG A 50 10.332 -11.353 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.851 -8.305 2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.918 -8.107 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.698 -11.091 2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.523 -9.677 3.934 1.00 0.00 H new ATOM 789 N ILE A 51 4.023 -10.312 -1.732 1.00 0.00 N ATOM 790 CA ILE A 51 2.937 -9.421 -2.120 1.00 0.00 C ATOM 791 C ILE A 51 1.898 -9.305 -1.010 1.00 0.00 C ATOM 792 O ILE A 51 1.470 -8.206 -0.662 1.00 0.00 O ATOM 793 CB ILE A 51 2.244 -9.906 -3.408 1.00 0.00 C ATOM 794 CG1 ILE A 51 3.215 -9.844 -4.590 1.00 0.00 C ATOM 795 CG2 ILE A 51 1.005 -9.071 -3.689 1.00 0.00 C ATOM 796 CD1 ILE A 51 2.810 -10.724 -5.750 1.00 0.00 C ATOM 0 H ILE A 51 4.316 -10.963 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 51 3.381 -8.442 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 51 1.936 -10.942 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.289 -8.813 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.208 -10.139 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.527 -9.426 -4.602 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.308 -9.162 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.290 -8.026 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.543 -10.630 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.764 -11.762 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.831 -10.416 -6.116 1.00 0.00 H new ATOM 808 N GLN A 52 1.498 -10.446 -0.459 1.00 0.00 N ATOM 809 CA GLN A 52 0.510 -10.472 0.613 1.00 0.00 C ATOM 810 C GLN A 52 0.891 -9.503 1.728 1.00 0.00 C ATOM 811 O GLN A 52 0.091 -8.658 2.130 1.00 0.00 O ATOM 812 CB GLN A 52 0.374 -11.888 1.176 1.00 0.00 C ATOM 813 CG GLN A 52 0.518 -12.977 0.125 1.00 0.00 C ATOM 814 CD GLN A 52 -0.285 -14.218 0.459 1.00 0.00 C ATOM 815 OE1 GLN A 52 -1.121 -14.208 1.363 1.00 0.00 O ATOM 816 NE2 GLN A 52 -0.036 -15.299 -0.271 1.00 0.00 N ATOM 0 H GLN A 52 1.843 -11.365 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.448 -10.160 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.129 -12.037 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.598 -11.986 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.196 -12.589 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.570 -13.245 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.665 -15.264 -1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.546 -16.164 -0.092 1.00 0.00 H new ATOM 825 N VAL A 53 2.117 -9.632 2.223 1.00 0.00 N ATOM 826 CA VAL A 53 2.605 -8.767 3.291 1.00 0.00 C ATOM 827 C VAL A 53 2.587 -7.303 2.865 1.00 0.00 C ATOM 828 O VAL A 53 1.910 -6.477 3.475 1.00 0.00 O ATOM 829 CB VAL A 53 4.036 -9.150 3.715 1.00 0.00 C ATOM 830 CG1 VAL A 53 4.481 -8.316 4.907 1.00 0.00 C ATOM 831 CG2 VAL A 53 4.116 -10.635 4.033 1.00 0.00 C ATOM 0 H VAL A 53 2.791 -10.327 1.902 1.00 0.00 H new ATOM 0 HA VAL A 53 1.934 -8.903 4.139 1.00 0.00 H new ATOM 0 HB VAL A 53 4.711 -8.942 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.494 -8.600 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.463 -7.260 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.806 -8.490 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.133 -10.889 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.430 -10.870 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.842 -11.212 3.150 1.00 0.00 H new ATOM 841 N TRP A 54 3.336 -6.991 1.814 1.00 0.00 N ATOM 842 CA TRP A 54 3.407 -5.626 1.304 1.00 0.00 C ATOM 843 C TRP A 54 2.025 -4.981 1.281 1.00 0.00 C ATOM 844 O TRP A 54 1.873 -3.803 1.605 1.00 0.00 O ATOM 845 CB TRP A 54 4.012 -5.615 -0.101 1.00 0.00 C ATOM 846 CG TRP A 54 4.268 -4.234 -0.626 1.00 0.00 C ATOM 847 CD1 TRP A 54 5.456 -3.561 -0.618 1.00 0.00 C ATOM 848 CD2 TRP A 54 3.313 -3.359 -1.235 1.00 0.00 C ATOM 849 NE1 TRP A 54 5.298 -2.320 -1.185 1.00 0.00 N ATOM 850 CE2 TRP A 54 3.993 -2.172 -1.573 1.00 0.00 C ATOM 851 CE3 TRP A 54 1.951 -3.462 -1.531 1.00 0.00 C ATOM 852 CZ2 TRP A 54 3.354 -1.098 -2.188 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.318 -2.397 -2.142 1.00 0.00 C ATOM 854 CH2 TRP A 54 2.020 -1.227 -2.466 1.00 0.00 C ATOM 0 H TRP A 54 3.903 -7.664 1.298 1.00 0.00 H new ATOM 0 HA TRP A 54 4.046 -5.048 1.971 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.949 -6.171 -0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.340 -6.136 -0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.384 -3.948 -0.224 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.033 -1.622 -1.299 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.402 -4.359 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.892 -0.195 -2.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.265 -2.467 -2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.498 -0.412 -2.944 1.00 0.00 H new ATOM 865 N PHE A 55 1.020 -5.760 0.896 1.00 0.00 N ATOM 866 CA PHE A 55 -0.350 -5.265 0.829 1.00 0.00 C ATOM 867 C PHE A 55 -0.945 -5.122 2.228 1.00 0.00 C ATOM 868 O PHE A 55 -1.650 -4.156 2.518 1.00 0.00 O ATOM 869 CB PHE A 55 -1.215 -6.205 -0.012 1.00 0.00 C ATOM 870 CG PHE A 55 -1.236 -5.854 -1.473 1.00 0.00 C ATOM 871 CD1 PHE A 55 -0.095 -5.989 -2.247 1.00 0.00 C ATOM 872 CD2 PHE A 55 -2.396 -5.389 -2.071 1.00 0.00 C ATOM 873 CE1 PHE A 55 -0.112 -5.666 -3.591 1.00 0.00 C ATOM 874 CE2 PHE A 55 -2.419 -5.065 -3.413 1.00 0.00 C ATOM 875 CZ PHE A 55 -1.276 -5.204 -4.175 1.00 0.00 C ATOM 0 H PHE A 55 1.129 -6.737 0.625 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.332 -4.282 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.847 -7.225 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.235 -6.188 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.817 -6.350 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.293 -5.279 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.784 -5.775 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.330 -4.703 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.292 -4.952 -5.225 1.00 0.00 H new ATOM 885 N SER A 56 -0.655 -6.093 3.089 1.00 0.00 N ATOM 886 CA SER A 56 -1.164 -6.079 4.455 1.00 0.00 C ATOM 887 C SER A 56 -0.794 -4.778 5.160 1.00 0.00 C ATOM 888 O SER A 56 -1.661 -4.054 5.647 1.00 0.00 O ATOM 889 CB SER A 56 -0.614 -7.272 5.239 1.00 0.00 C ATOM 890 OG SER A 56 -1.229 -8.480 4.828 1.00 0.00 O ATOM 0 H SER A 56 -0.071 -6.898 2.865 1.00 0.00 H new ATOM 0 HA SER A 56 -2.251 -6.152 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.464 -7.341 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.782 -7.119 6.305 1.00 0.00 H new ATOM 0 HG SER A 56 -0.916 -8.718 3.930 1.00 0.00 H new ATOM 896 N ASN A 57 0.502 -4.487 5.210 1.00 0.00 N ATOM 897 CA ASN A 57 0.989 -3.273 5.856 1.00 0.00 C ATOM 898 C ASN A 57 0.349 -2.034 5.238 1.00 0.00 C ATOM 899 O ASN A 57 -0.057 -1.114 5.947 1.00 0.00 O ATOM 900 CB ASN A 57 2.512 -3.185 5.740 1.00 0.00 C ATOM 901 CG ASN A 57 3.220 -4.125 6.698 1.00 0.00 C ATOM 902 OD1 ASN A 57 3.754 -3.699 7.722 1.00 0.00 O ATOM 903 ND2 ASN A 57 3.227 -5.411 6.368 1.00 0.00 N ATOM 0 H ASN A 57 1.234 -5.075 4.811 1.00 0.00 H new ATOM 0 HA ASN A 57 0.713 -3.316 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.810 -3.420 4.718 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.830 -2.161 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.688 -6.090 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.771 -5.720 5.509 1.00 0.00 H new ATOM 910 N ARG A 58 0.261 -2.019 3.912 1.00 0.00 N ATOM 911 CA ARG A 58 -0.330 -0.893 3.198 1.00 0.00 C ATOM 912 C ARG A 58 -1.703 -0.548 3.767 1.00 0.00 C ATOM 913 O ARG A 58 -1.958 0.593 4.152 1.00 0.00 O ATOM 914 CB ARG A 58 -0.449 -1.213 1.707 1.00 0.00 C ATOM 915 CG ARG A 58 0.877 -1.172 0.967 1.00 0.00 C ATOM 916 CD ARG A 58 1.285 0.255 0.632 1.00 0.00 C ATOM 917 NE ARG A 58 2.709 0.360 0.324 1.00 0.00 N ATOM 918 CZ ARG A 58 3.310 1.503 0.011 1.00 0.00 C ATOM 919 NH1 ARG A 58 2.616 2.631 -0.034 1.00 0.00 N ATOM 920 NH2 ARG A 58 4.610 1.517 -0.257 1.00 0.00 N ATOM 0 H ARG A 58 0.591 -2.774 3.310 1.00 0.00 H new ATOM 0 HA ARG A 58 0.324 -0.030 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.890 -2.203 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.135 -0.503 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.650 -1.639 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.801 -1.755 0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.703 0.608 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.047 0.907 1.473 1.00 0.00 H new ATOM 0 HE ARG A 58 3.272 -0.490 0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.617 2.624 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.081 3.506 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.147 0.651 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.072 2.394 -0.497 1.00 0.00 H new ATOM 934 N ARG A 59 -2.583 -1.543 3.816 1.00 0.00 N ATOM 935 CA ARG A 59 -3.931 -1.344 4.336 1.00 0.00 C ATOM 936 C ARG A 59 -3.913 -0.432 5.560 1.00 0.00 C ATOM 937 O ARG A 59 -4.738 0.473 5.682 1.00 0.00 O ATOM 938 CB ARG A 59 -4.564 -2.689 4.700 1.00 0.00 C ATOM 939 CG ARG A 59 -4.665 -3.651 3.527 1.00 0.00 C ATOM 940 CD ARG A 59 -4.866 -5.083 3.997 1.00 0.00 C ATOM 941 NE ARG A 59 -4.777 -6.038 2.896 1.00 0.00 N ATOM 942 CZ ARG A 59 -4.585 -7.342 3.067 1.00 0.00 C ATOM 943 NH1 ARG A 59 -4.463 -7.842 4.289 1.00 0.00 N ATOM 944 NH2 ARG A 59 -4.514 -8.147 2.014 1.00 0.00 N ATOM 0 H ARG A 59 -2.387 -2.494 3.502 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.527 -0.868 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.977 -3.155 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.562 -2.514 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.496 -3.358 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.759 -3.588 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.116 -5.326 4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.840 -5.173 4.477 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.867 -5.685 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.516 -7.226 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.316 -8.843 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.607 -7.765 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.367 -9.148 2.146 1.00 0.00 H new ATOM 958 N ALA A 60 -2.968 -0.678 6.461 1.00 0.00 N ATOM 959 CA ALA A 60 -2.842 0.122 7.672 1.00 0.00 C ATOM 960 C ALA A 60 -2.452 1.559 7.344 1.00 0.00 C ATOM 961 O ALA A 60 -2.925 2.502 7.979 1.00 0.00 O ATOM 962 CB ALA A 60 -1.820 -0.501 8.612 1.00 0.00 C ATOM 0 H ALA A 60 -2.279 -1.425 6.375 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.813 0.140 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.736 0.107 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.140 -1.507 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.851 -0.550 8.115 1.00 0.00 H new ATOM 968 N LYS A 61 -1.587 1.720 6.348 1.00 0.00 N ATOM 969 CA LYS A 61 -1.134 3.043 5.933 1.00 0.00 C ATOM 970 C LYS A 61 -2.236 3.787 5.188 1.00 0.00 C ATOM 971 O LYS A 61 -2.321 5.013 5.250 1.00 0.00 O ATOM 972 CB LYS A 61 0.107 2.923 5.045 1.00 0.00 C ATOM 973 CG LYS A 61 0.486 4.221 4.353 1.00 0.00 C ATOM 974 CD LYS A 61 1.888 4.154 3.771 1.00 0.00 C ATOM 975 CE LYS A 61 2.079 5.173 2.659 1.00 0.00 C ATOM 976 NZ LYS A 61 2.157 6.563 3.187 1.00 0.00 N ATOM 0 H LYS A 61 -1.185 0.950 5.813 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.880 3.610 6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.947 2.586 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.069 2.156 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.229 4.433 3.558 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.425 5.045 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.619 4.333 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.075 3.152 3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.991 4.942 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.252 5.099 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.287 7.227 2.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.277 6.793 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.961 6.641 3.842 1.00 0.00 H new ATOM 990 N TRP A 62 -3.078 3.037 4.485 1.00 0.00 N ATOM 991 CA TRP A 62 -4.177 3.627 3.728 1.00 0.00 C ATOM 992 C TRP A 62 -5.338 3.989 4.647 1.00 0.00 C ATOM 993 O TRP A 62 -5.878 5.094 4.576 1.00 0.00 O ATOM 994 CB TRP A 62 -4.652 2.661 2.642 1.00 0.00 C ATOM 995 CG TRP A 62 -5.859 3.148 1.900 1.00 0.00 C ATOM 996 CD1 TRP A 62 -5.872 3.929 0.780 1.00 0.00 C ATOM 997 CD2 TRP A 62 -7.229 2.890 2.227 1.00 0.00 C ATOM 998 NE1 TRP A 62 -7.168 4.171 0.390 1.00 0.00 N ATOM 999 CE2 TRP A 62 -8.018 3.543 1.261 1.00 0.00 C ATOM 1000 CE3 TRP A 62 -7.865 2.167 3.240 1.00 0.00 C ATOM 1001 CZ2 TRP A 62 -9.410 3.496 1.281 1.00 0.00 C ATOM 1002 CZ3 TRP A 62 -9.245 2.121 3.259 1.00 0.00 C ATOM 1003 CH2 TRP A 62 -10.006 2.782 2.285 1.00 0.00 C ATOM 0 H TRP A 62 -3.021 2.020 4.423 1.00 0.00 H new ATOM 0 HA TRP A 62 -3.812 4.540 3.258 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.841 2.496 1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.879 1.697 3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.993 4.302 0.275 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.450 4.728 -0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.287 1.653 3.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.998 4.005 0.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -9.747 1.566 4.038 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.084 2.727 2.328 1.00 0.00 H new ATOM 1014 N ARG A 63 -5.719 3.052 5.509 1.00 0.00 N ATOM 1015 CA ARG A 63 -6.817 3.274 6.443 1.00 0.00 C ATOM 1016 C ARG A 63 -6.529 4.467 7.350 1.00 0.00 C ATOM 1017 O ARG A 63 -7.427 5.245 7.671 1.00 0.00 O ATOM 1018 CB ARG A 63 -7.055 2.022 7.289 1.00 0.00 C ATOM 1019 CG ARG A 63 -7.637 0.858 6.504 1.00 0.00 C ATOM 1020 CD ARG A 63 -7.918 -0.336 7.403 1.00 0.00 C ATOM 1021 NE ARG A 63 -9.090 -0.123 8.246 1.00 0.00 N ATOM 1022 CZ ARG A 63 -9.632 -1.069 9.006 1.00 0.00 C ATOM 1023 NH1 ARG A 63 -9.108 -2.287 9.027 1.00 0.00 N ATOM 1024 NH2 ARG A 63 -10.700 -0.798 9.746 1.00 0.00 N ATOM 0 H ARG A 63 -5.284 2.132 5.580 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.715 3.490 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.111 1.711 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.730 2.270 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.560 1.172 6.016 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.943 0.566 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.070 -1.224 6.789 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.049 -0.528 8.032 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.517 0.803 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.288 -2.499 8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.525 -3.012 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.106 0.138 9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.115 -1.525 10.329 1.00 0.00 H new ATOM 1038 N ARG A 64 -5.271 4.602 7.758 1.00 0.00 N ATOM 1039 CA ARG A 64 -4.865 5.699 8.629 1.00 0.00 C ATOM 1040 C ARG A 64 -4.841 7.019 7.865 1.00 0.00 C ATOM 1041 O ARG A 64 -5.253 8.055 8.385 1.00 0.00 O ATOM 1042 CB ARG A 64 -3.487 5.418 9.229 1.00 0.00 C ATOM 1043 CG ARG A 64 -2.336 5.921 8.371 1.00 0.00 C ATOM 1044 CD ARG A 64 -0.998 5.728 9.067 1.00 0.00 C ATOM 1045 NE ARG A 64 0.111 5.683 8.117 1.00 0.00 N ATOM 1046 CZ ARG A 64 1.366 5.978 8.437 1.00 0.00 C ATOM 1047 NH1 ARG A 64 1.670 6.337 9.677 1.00 0.00 N ATOM 1048 NH2 ARG A 64 2.319 5.913 7.517 1.00 0.00 N ATOM 0 H ARG A 64 -4.516 3.966 7.500 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.594 5.780 9.435 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.426 5.883 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.376 4.344 9.377 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.332 5.391 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.482 6.978 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.837 6.541 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.019 4.803 9.644 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.089 5.410 7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.939 6.387 10.387 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.634 6.563 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.089 5.636 6.563 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.282 6.140 7.764 1.00 0.00 H new ATOM 1062 N GLU A 65 -4.355 6.973 6.629 1.00 0.00 N ATOM 1063 CA GLU A 65 -4.276 8.167 5.795 1.00 0.00 C ATOM 1064 C GLU A 65 -5.670 8.672 5.435 1.00 0.00 C ATOM 1065 O GLU A 65 -6.001 9.833 5.676 1.00 0.00 O ATOM 1066 CB GLU A 65 -3.483 7.873 4.519 1.00 0.00 C ATOM 1067 CG GLU A 65 -2.020 7.549 4.772 1.00 0.00 C ATOM 1068 CD GLU A 65 -1.129 8.774 4.689 1.00 0.00 C ATOM 1069 OE1 GLU A 65 -1.098 9.413 3.617 1.00 0.00 O ATOM 1070 OE2 GLU A 65 -0.464 9.092 5.696 1.00 0.00 O ATOM 0 H GLU A 65 -4.010 6.123 6.183 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.763 8.943 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.947 7.036 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.546 8.736 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.917 7.096 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.684 6.810 4.045 1.00 0.00 H new ATOM 1077 N GLU A 66 -6.481 7.792 4.856 1.00 0.00 N ATOM 1078 CA GLU A 66 -7.839 8.151 4.463 1.00 0.00 C ATOM 1079 C GLU A 66 -8.454 9.130 5.458 1.00 0.00 C ATOM 1080 O GLU A 66 -9.096 10.106 5.070 1.00 0.00 O ATOM 1081 CB GLU A 66 -8.711 6.898 4.358 1.00 0.00 C ATOM 1082 CG GLU A 66 -9.820 7.012 3.326 1.00 0.00 C ATOM 1083 CD GLU A 66 -11.021 7.778 3.843 1.00 0.00 C ATOM 1084 OE1 GLU A 66 -10.872 8.510 4.845 1.00 0.00 O ATOM 1085 OE2 GLU A 66 -12.111 7.647 3.247 1.00 0.00 O ATOM 0 H GLU A 66 -6.222 6.827 4.649 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.791 8.635 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.079 6.046 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.153 6.691 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.433 7.508 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.134 6.013 3.023 1.00 0.00 H new ATOM 1092 N LYS A 67 -8.254 8.862 6.744 1.00 0.00 N ATOM 1093 CA LYS A 67 -8.787 9.717 7.797 1.00 0.00 C ATOM 1094 C LYS A 67 -8.051 11.054 7.837 1.00 0.00 C ATOM 1095 O LYS A 67 -8.662 12.115 7.707 1.00 0.00 O ATOM 1096 CB LYS A 67 -8.675 9.021 9.155 1.00 0.00 C ATOM 1097 CG LYS A 67 -9.650 9.550 10.192 1.00 0.00 C ATOM 1098 CD LYS A 67 -10.980 8.817 10.133 1.00 0.00 C ATOM 1099 CE LYS A 67 -12.118 9.684 10.650 1.00 0.00 C ATOM 1100 NZ LYS A 67 -12.612 10.628 9.610 1.00 0.00 N ATOM 0 H LYS A 67 -7.726 8.058 7.082 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.838 9.906 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.844 7.953 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.659 9.138 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.218 9.442 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.813 10.615 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.187 8.518 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.920 7.903 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.938 9.047 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.780 10.247 11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.387 11.201 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.836 11.253 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.959 10.091 8.790 1.00 0.00 H new ATOM 1114 N LEU A 68 -6.736 10.994 8.016 1.00 0.00 N ATOM 1115 CA LEU A 68 -5.916 12.198 8.071 1.00 0.00 C ATOM 1116 C LEU A 68 -6.253 13.140 6.920 1.00 0.00 C ATOM 1117 O LEU A 68 -6.295 14.358 7.093 1.00 0.00 O ATOM 1118 CB LEU A 68 -4.432 11.832 8.026 1.00 0.00 C ATOM 1119 CG LEU A 68 -3.946 10.868 9.110 1.00 0.00 C ATOM 1120 CD1 LEU A 68 -2.584 10.299 8.745 1.00 0.00 C ATOM 1121 CD2 LEU A 68 -3.889 11.567 10.460 1.00 0.00 C ATOM 0 H LEU A 68 -6.215 10.124 8.126 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.130 12.709 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.216 11.392 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.849 12.750 8.097 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.655 10.043 9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.254 9.615 9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.656 9.761 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.865 11.112 8.646 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.541 10.866 11.218 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.202 12.411 10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.883 11.926 10.726 1.00 0.00 H new ATOM 1133 N ARG A 69 -6.496 12.568 5.746 1.00 0.00 N ATOM 1134 CA ARG A 69 -6.831 13.355 4.565 1.00 0.00 C ATOM 1135 C ARG A 69 -8.261 13.881 4.651 1.00 0.00 C ATOM 1136 O ARG A 69 -8.516 15.058 4.400 1.00 0.00 O ATOM 1137 CB ARG A 69 -6.659 12.515 3.299 1.00 0.00 C ATOM 1138 CG ARG A 69 -5.269 12.605 2.691 1.00 0.00 C ATOM 1139 CD ARG A 69 -5.022 11.480 1.697 1.00 0.00 C ATOM 1140 NE ARG A 69 -3.629 11.433 1.262 1.00 0.00 N ATOM 1141 CZ ARG A 69 -3.226 10.819 0.155 1.00 0.00 C ATOM 1142 NH1 ARG A 69 -4.106 10.204 -0.624 1.00 0.00 N ATOM 1143 NH2 ARG A 69 -1.941 10.819 -0.176 1.00 0.00 N ATOM 0 H ARG A 69 -6.467 11.561 5.587 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.151 14.206 4.521 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.877 11.473 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.392 12.836 2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.151 13.566 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.521 12.563 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.292 10.527 2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.669 11.613 0.830 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.927 11.897 1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.095 10.202 -0.374 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.794 9.733 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.261 11.291 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.633 10.347 -1.026 1.00 0.00 H new ATOM 1157 N ASN A 70 -9.190 12.999 5.006 1.00 0.00 N ATOM 1158 CA ASN A 70 -10.594 13.374 5.122 1.00 0.00 C ATOM 1159 C ASN A 70 -10.747 14.672 5.909 1.00 0.00 C ATOM 1160 O ASN A 70 -11.563 15.525 5.563 1.00 0.00 O ATOM 1161 CB ASN A 70 -11.387 12.256 5.804 1.00 0.00 C ATOM 1162 CG ASN A 70 -12.866 12.315 5.477 1.00 0.00 C ATOM 1163 OD1 ASN A 70 -13.366 11.538 4.665 1.00 0.00 O ATOM 1164 ND2 ASN A 70 -13.575 13.241 6.113 1.00 0.00 N ATOM 0 H ASN A 70 -8.996 12.020 5.218 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.987 13.530 4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.987 11.290 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.253 12.326 6.884 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.576 13.328 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.119 13.865 6.779 1.00 0.00 H new ATOM 1171 N GLN A 71 -9.955 14.814 6.967 1.00 0.00 N ATOM 1172 CA GLN A 71 -10.003 16.008 7.802 1.00 0.00 C ATOM 1173 C GLN A 71 -9.700 17.258 6.983 1.00 0.00 C ATOM 1174 O GLN A 71 -10.349 18.291 7.146 1.00 0.00 O ATOM 1175 CB GLN A 71 -9.008 15.887 8.958 1.00 0.00 C ATOM 1176 CG GLN A 71 -9.209 14.643 9.807 1.00 0.00 C ATOM 1177 CD GLN A 71 -8.559 14.757 11.172 1.00 0.00 C ATOM 1178 OE1 GLN A 71 -9.203 15.136 12.150 1.00 0.00 O ATOM 1179 NE2 GLN A 71 -7.274 14.427 11.245 1.00 0.00 N ATOM 0 H GLN A 71 -9.273 14.117 7.266 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.011 16.098 8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.995 15.882 8.555 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.094 16.768 9.594 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.277 14.461 9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.797 13.780 9.284 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.779 14.118 10.409 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.783 14.483 12.137 1.00 0.00 H new ATOM 1188 N ARG A 72 -8.712 17.155 6.101 1.00 0.00 N ATOM 1189 CA ARG A 72 -8.321 18.279 5.257 1.00 0.00 C ATOM 1190 C ARG A 72 -9.503 18.770 4.426 1.00 0.00 C ATOM 1191 O ARG A 72 -9.630 19.965 4.155 1.00 0.00 O ATOM 1192 CB ARG A 72 -7.169 17.876 4.335 1.00 0.00 C ATOM 1193 CG ARG A 72 -6.457 19.057 3.697 1.00 0.00 C ATOM 1194 CD ARG A 72 -5.091 18.661 3.160 1.00 0.00 C ATOM 1195 NE ARG A 72 -4.263 19.825 2.856 1.00 0.00 N ATOM 1196 CZ ARG A 72 -4.482 20.634 1.825 1.00 0.00 C ATOM 1197 NH1 ARG A 72 -5.499 20.406 1.005 1.00 0.00 N ATOM 1198 NH2 ARG A 72 -3.686 21.674 1.614 1.00 0.00 N ATOM 0 H ARG A 72 -8.167 16.306 5.952 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.991 19.091 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.446 17.292 4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.554 17.227 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.066 19.455 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.343 19.854 4.431 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.581 18.035 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.216 18.060 2.259 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.473 20.028 3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.115 19.609 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.666 21.028 0.214 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.904 21.854 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.856 22.294 0.822 1.00 0.00 H new ATOM 1212 N ARG A 73 -10.365 17.841 4.024 1.00 0.00 N ATOM 1213 CA ARG A 73 -11.534 18.179 3.223 1.00 0.00 C ATOM 1214 C ARG A 73 -12.143 19.502 3.680 1.00 0.00 C ATOM 1215 O ARG A 73 -12.066 19.857 4.856 1.00 0.00 O ATOM 1216 CB ARG A 73 -12.581 17.066 3.313 1.00 0.00 C ATOM 1217 CG ARG A 73 -13.582 17.076 2.170 1.00 0.00 C ATOM 1218 CD ARG A 73 -14.581 15.937 2.293 1.00 0.00 C ATOM 1219 NE ARG A 73 -15.418 15.812 1.104 1.00 0.00 N ATOM 1220 CZ ARG A 73 -16.518 15.068 1.055 1.00 0.00 C ATOM 1221 NH1 ARG A 73 -16.911 14.389 2.123 1.00 0.00 N ATOM 1222 NH2 ARG A 73 -17.227 15.005 -0.064 1.00 0.00 N ATOM 0 H ARG A 73 -10.275 16.848 4.241 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.214 18.284 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.073 16.102 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.119 17.161 4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.113 18.028 2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.052 16.996 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.046 15.002 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.213 16.102 3.165 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.144 16.323 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.369 14.437 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.756 13.819 2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.928 15.528 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.071 14.434 -0.101 1.00 0.00 H new ATOM 1236 N GLN A 74 -12.746 20.225 2.742 1.00 0.00 N ATOM 1237 CA GLN A 74 -13.366 21.509 3.049 1.00 0.00 C ATOM 1238 C GLN A 74 -14.052 21.470 4.412 1.00 0.00 C ATOM 1239 O GLN A 74 -14.949 20.660 4.642 1.00 0.00 O ATOM 1240 CB GLN A 74 -14.379 21.882 1.966 1.00 0.00 C ATOM 1241 CG GLN A 74 -15.179 20.699 1.446 1.00 0.00 C ATOM 1242 CD GLN A 74 -16.254 21.109 0.460 1.00 0.00 C ATOM 1243 OE1 GLN A 74 -16.210 20.741 -0.713 1.00 0.00 O ATOM 1244 NE2 GLN A 74 -17.231 21.875 0.934 1.00 0.00 N ATOM 0 H GLN A 74 -12.819 19.944 1.764 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.581 22.265 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.067 22.627 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.852 22.348 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.503 19.991 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.641 20.180 2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -17.228 22.157 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -17.984 22.181 0.318 1.00 0.00 H new ATOM 1253 N SER A 75 -13.623 22.351 5.309 1.00 0.00 N ATOM 1254 CA SER A 75 -14.194 22.415 6.650 1.00 0.00 C ATOM 1255 C SER A 75 -13.780 23.703 7.355 1.00 0.00 C ATOM 1256 O SER A 75 -12.614 24.093 7.327 1.00 0.00 O ATOM 1257 CB SER A 75 -13.751 21.205 7.473 1.00 0.00 C ATOM 1258 OG SER A 75 -14.662 20.129 7.330 1.00 0.00 O ATOM 0 H SER A 75 -12.883 23.030 5.133 1.00 0.00 H new ATOM 0 HA SER A 75 -15.280 22.405 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.758 20.889 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.675 21.484 8.524 1.00 0.00 H new ATOM 0 HG SER A 75 -14.959 20.073 6.398 1.00 0.00 H new ATOM 1264 N GLY A 76 -14.747 24.361 7.988 1.00 0.00 N ATOM 1265 CA GLY A 76 -14.466 25.599 8.692 1.00 0.00 C ATOM 1266 C GLY A 76 -13.734 25.368 9.999 1.00 0.00 C ATOM 1267 O GLY A 76 -12.619 25.850 10.205 1.00 0.00 O ATOM 0 H GLY A 76 -15.720 24.059 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.867 26.249 8.054 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.402 26.121 8.890 1.00 0.00 H new ATOM 1271 N PRO A 77 -14.366 24.615 10.912 1.00 0.00 N ATOM 1272 CA PRO A 77 -13.786 24.306 12.222 1.00 0.00 C ATOM 1273 C PRO A 77 -12.596 23.357 12.119 1.00 0.00 C ATOM 1274 O PRO A 77 -11.906 23.102 13.107 1.00 0.00 O ATOM 1275 CB PRO A 77 -14.941 23.638 12.972 1.00 0.00 C ATOM 1276 CG PRO A 77 -15.807 23.068 11.902 1.00 0.00 C ATOM 1277 CD PRO A 77 -15.695 24.008 10.734 1.00 0.00 C ATOM 0 HA PRO A 77 -13.397 25.196 12.717 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -14.579 22.860 13.645 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.487 24.358 13.581 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.480 22.065 11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.840 22.986 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.771 23.479 9.784 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -16.485 24.759 10.745 1.00 0.00 H new ATOM 1285 N SER A 78 -12.362 22.836 10.920 1.00 0.00 N ATOM 1286 CA SER A 78 -11.258 21.912 10.689 1.00 0.00 C ATOM 1287 C SER A 78 -9.953 22.475 11.244 1.00 0.00 C ATOM 1288 O SER A 78 -9.206 21.780 11.933 1.00 0.00 O ATOM 1289 CB SER A 78 -11.107 21.625 9.194 1.00 0.00 C ATOM 1290 OG SER A 78 -9.801 21.167 8.892 1.00 0.00 O ATOM 0 H SER A 78 -12.923 23.038 10.092 1.00 0.00 H new ATOM 0 HA SER A 78 -11.483 20.981 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.838 20.876 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.320 22.529 8.624 1.00 0.00 H new ATOM 0 HG SER A 78 -9.731 20.989 7.931 1.00 0.00 H new ATOM 1296 N SER A 79 -9.686 23.742 10.941 1.00 0.00 N ATOM 1297 CA SER A 79 -8.471 24.399 11.405 1.00 0.00 C ATOM 1298 C SER A 79 -8.687 25.037 12.775 1.00 0.00 C ATOM 1299 O SER A 79 -9.764 25.554 13.068 1.00 0.00 O ATOM 1300 CB SER A 79 -8.024 25.463 10.400 1.00 0.00 C ATOM 1301 OG SER A 79 -6.685 25.859 10.637 1.00 0.00 O ATOM 0 H SER A 79 -10.296 24.333 10.376 1.00 0.00 H new ATOM 0 HA SER A 79 -7.691 23.643 11.494 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.117 25.072 9.387 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.680 26.331 10.468 1.00 0.00 H new ATOM 0 HG SER A 79 -6.424 26.538 9.980 1.00 0.00 H new ATOM 1307 N GLY A 80 -7.654 24.996 13.610 1.00 0.00 N ATOM 1308 CA GLY A 80 -7.750 25.572 14.939 1.00 0.00 C ATOM 1309 C GLY A 80 -8.928 25.028 15.722 1.00 0.00 C ATOM 1310 O GLY A 80 -9.809 25.782 16.135 1.00 0.00 O ATOM 0 H GLY A 80 -6.752 24.574 13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.829 25.370 15.487 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.841 26.655 14.857 1.00 0.00 H new TER 1314 GLY A 80