USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 491 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+ 180:sc= 0 (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 19:sc= 1.06 USER MOD Single : A 8 ASN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc=-0.00585 K(o=-0.0059,f=-1.2) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0.0067) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0.346 (180deg=0.32) USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 31 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 37 MET CE :methyl -169:sc= -4.7 (180deg=-5.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0563 (180deg=-0.489) USER MOD Single : A 50 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.859 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.283 16.320 11.142 1.00 0.00 N ATOM 2 CA GLY A 1 -3.728 16.186 11.164 1.00 0.00 C ATOM 3 C GLY A 1 -4.245 15.702 12.504 1.00 0.00 C ATOM 4 O GLY A 1 -4.629 14.540 12.646 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.980 16.653 10.205 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.987 17.005 11.866 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.846 15.397 11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.183 17.148 10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.037 15.489 10.385 1.00 0.00 H new ATOM 8 N SER A 2 -4.255 16.592 13.490 1.00 0.00 N ATOM 9 CA SER A 2 -4.723 16.248 14.827 1.00 0.00 C ATOM 10 C SER A 2 -5.827 17.199 15.278 1.00 0.00 C ATOM 11 O SER A 2 -6.961 16.784 15.519 1.00 0.00 O ATOM 12 CB SER A 2 -3.563 16.286 15.823 1.00 0.00 C ATOM 13 OG SER A 2 -2.636 15.245 15.567 1.00 0.00 O ATOM 0 H SER A 2 -3.944 17.558 13.388 1.00 0.00 H new ATOM 0 HA SER A 2 -5.130 15.237 14.793 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.058 17.250 15.761 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.948 16.192 16.838 1.00 0.00 H new ATOM 0 HG SER A 2 -1.903 15.292 16.216 1.00 0.00 H new ATOM 19 N SER A 3 -5.487 18.479 15.391 1.00 0.00 N ATOM 20 CA SER A 3 -6.447 19.491 15.817 1.00 0.00 C ATOM 21 C SER A 3 -7.326 19.931 14.650 1.00 0.00 C ATOM 22 O SER A 3 -6.890 20.683 13.779 1.00 0.00 O ATOM 23 CB SER A 3 -5.718 20.700 16.406 1.00 0.00 C ATOM 24 OG SER A 3 -6.637 21.655 16.907 1.00 0.00 O ATOM 0 H SER A 3 -4.554 18.840 15.193 1.00 0.00 H new ATOM 0 HA SER A 3 -7.085 19.052 16.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.055 20.374 17.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.092 21.159 15.641 1.00 0.00 H new ATOM 0 HG SER A 3 -6.146 22.417 17.279 1.00 0.00 H new ATOM 30 N GLY A 4 -8.567 19.456 14.641 1.00 0.00 N ATOM 31 CA GLY A 4 -9.489 19.810 13.577 1.00 0.00 C ATOM 32 C GLY A 4 -10.908 19.362 13.867 1.00 0.00 C ATOM 33 O GLY A 4 -11.171 18.733 14.892 1.00 0.00 O ATOM 0 H GLY A 4 -8.951 18.832 15.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.475 20.890 13.432 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.152 19.359 12.644 1.00 0.00 H new ATOM 37 N SER A 5 -11.826 19.687 12.962 1.00 0.00 N ATOM 38 CA SER A 5 -13.227 19.318 13.128 1.00 0.00 C ATOM 39 C SER A 5 -13.455 17.860 12.740 1.00 0.00 C ATOM 40 O SER A 5 -12.629 17.251 12.060 1.00 0.00 O ATOM 41 CB SER A 5 -14.119 20.228 12.281 1.00 0.00 C ATOM 42 OG SER A 5 -13.714 21.582 12.388 1.00 0.00 O ATOM 0 H SER A 5 -11.625 20.205 12.107 1.00 0.00 H new ATOM 0 HA SER A 5 -13.487 19.441 14.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.078 19.914 11.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.156 20.129 12.603 1.00 0.00 H new ATOM 0 HG SER A 5 -14.298 22.143 11.836 1.00 0.00 H new ATOM 48 N SER A 6 -14.581 17.307 13.178 1.00 0.00 N ATOM 49 CA SER A 6 -14.917 15.920 12.881 1.00 0.00 C ATOM 50 C SER A 6 -16.339 15.596 13.331 1.00 0.00 C ATOM 51 O SER A 6 -16.642 15.610 14.524 1.00 0.00 O ATOM 52 CB SER A 6 -13.926 14.975 13.565 1.00 0.00 C ATOM 53 OG SER A 6 -14.125 14.956 14.967 1.00 0.00 O ATOM 0 H SER A 6 -15.276 17.798 13.740 1.00 0.00 H new ATOM 0 HA SER A 6 -14.856 15.781 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.043 13.968 13.164 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.906 15.290 13.343 1.00 0.00 H new ATOM 0 HG SER A 6 -15.017 15.304 15.176 1.00 0.00 H new ATOM 59 N GLY A 7 -17.207 15.306 12.367 1.00 0.00 N ATOM 60 CA GLY A 7 -18.586 14.983 12.683 1.00 0.00 C ATOM 61 C GLY A 7 -18.777 13.516 13.014 1.00 0.00 C ATOM 62 O GLY A 7 -17.995 12.935 13.765 1.00 0.00 O ATOM 0 H GLY A 7 -16.980 15.289 11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.913 15.589 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.221 15.247 11.837 1.00 0.00 H new ATOM 66 N ASN A 8 -19.822 12.916 12.453 1.00 0.00 N ATOM 67 CA ASN A 8 -20.116 11.508 12.694 1.00 0.00 C ATOM 68 C ASN A 8 -20.344 10.767 11.380 1.00 0.00 C ATOM 69 O ASN A 8 -20.454 11.381 10.320 1.00 0.00 O ATOM 70 CB ASN A 8 -21.347 11.369 13.591 1.00 0.00 C ATOM 71 CG ASN A 8 -22.403 12.415 13.291 1.00 0.00 C ATOM 72 OD1 ASN A 8 -22.580 13.370 14.047 1.00 0.00 O ATOM 73 ND2 ASN A 8 -23.111 12.238 12.181 1.00 0.00 N ATOM 0 H ASN A 8 -20.479 13.383 11.828 1.00 0.00 H new ATOM 0 HA ASN A 8 -19.257 11.064 13.196 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -21.777 10.376 13.462 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.044 11.452 14.635 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -23.836 12.909 11.926 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -22.930 11.431 11.584 1.00 0.00 H new ATOM 80 N GLY A 9 -20.414 9.442 11.459 1.00 0.00 N ATOM 81 CA GLY A 9 -20.629 8.638 10.270 1.00 0.00 C ATOM 82 C GLY A 9 -19.331 8.176 9.639 1.00 0.00 C ATOM 83 O GLY A 9 -19.311 7.205 8.884 1.00 0.00 O ATOM 0 H GLY A 9 -20.326 8.911 12.325 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.234 7.768 10.528 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.197 9.217 9.542 1.00 0.00 H new ATOM 87 N MET A 10 -18.243 8.876 9.947 1.00 0.00 N ATOM 88 CA MET A 10 -16.934 8.532 9.405 1.00 0.00 C ATOM 89 C MET A 10 -16.506 7.140 9.859 1.00 0.00 C ATOM 90 O MET A 10 -15.813 6.426 9.134 1.00 0.00 O ATOM 91 CB MET A 10 -15.892 9.565 9.837 1.00 0.00 C ATOM 92 CG MET A 10 -16.183 10.969 9.333 1.00 0.00 C ATOM 93 SD MET A 10 -16.138 11.086 7.534 1.00 0.00 S ATOM 94 CE MET A 10 -17.501 12.208 7.233 1.00 0.00 C ATOM 0 H MET A 10 -18.243 9.684 10.569 1.00 0.00 H new ATOM 0 HA MET A 10 -17.007 8.533 8.317 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.839 9.582 10.926 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.912 9.254 9.475 1.00 0.00 H new ATOM 0 HG2 MET A 10 -17.165 11.282 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.455 11.661 9.756 1.00 0.00 H new ATOM 0 HE1 MET A 10 -17.601 12.380 6.161 1.00 0.00 H new ATOM 0 HE2 MET A 10 -18.423 11.772 7.618 1.00 0.00 H new ATOM 0 HE3 MET A 10 -17.310 13.156 7.736 1.00 0.00 H new ATOM 104 N ASP A 11 -16.923 6.761 11.062 1.00 0.00 N ATOM 105 CA ASP A 11 -16.584 5.453 11.612 1.00 0.00 C ATOM 106 C ASP A 11 -17.000 4.338 10.658 1.00 0.00 C ATOM 107 O ASP A 11 -16.198 3.468 10.319 1.00 0.00 O ATOM 108 CB ASP A 11 -17.257 5.258 12.971 1.00 0.00 C ATOM 109 CG ASP A 11 -16.749 4.028 13.697 1.00 0.00 C ATOM 110 OD1 ASP A 11 -15.626 4.082 14.240 1.00 0.00 O ATOM 111 OD2 ASP A 11 -17.474 3.011 13.723 1.00 0.00 O ATOM 0 H ASP A 11 -17.496 7.341 11.675 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.503 5.409 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.083 6.139 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -18.335 5.175 12.831 1.00 0.00 H new ATOM 116 N GLU A 12 -18.258 4.370 10.231 1.00 0.00 N ATOM 117 CA GLU A 12 -18.780 3.359 9.319 1.00 0.00 C ATOM 118 C GLU A 12 -17.948 3.298 8.041 1.00 0.00 C ATOM 119 O GLU A 12 -17.888 2.265 7.377 1.00 0.00 O ATOM 120 CB GLU A 12 -20.241 3.657 8.975 1.00 0.00 C ATOM 121 CG GLU A 12 -21.157 3.691 10.187 1.00 0.00 C ATOM 122 CD GLU A 12 -21.549 2.305 10.661 1.00 0.00 C ATOM 123 OE1 GLU A 12 -22.218 1.583 9.892 1.00 0.00 O ATOM 124 OE2 GLU A 12 -21.187 1.943 11.800 1.00 0.00 O ATOM 0 H GLU A 12 -18.934 5.084 10.502 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.721 2.391 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.296 4.617 8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -20.603 2.901 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.660 4.221 10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.057 4.255 9.942 1.00 0.00 H new ATOM 131 N GLU A 13 -17.308 4.414 7.705 1.00 0.00 N ATOM 132 CA GLU A 13 -16.481 4.487 6.506 1.00 0.00 C ATOM 133 C GLU A 13 -15.088 3.922 6.771 1.00 0.00 C ATOM 134 O GLU A 13 -14.444 3.386 5.870 1.00 0.00 O ATOM 135 CB GLU A 13 -16.372 5.935 6.023 1.00 0.00 C ATOM 136 CG GLU A 13 -15.406 6.119 4.865 1.00 0.00 C ATOM 137 CD GLU A 13 -15.807 7.256 3.945 1.00 0.00 C ATOM 138 OE1 GLU A 13 -17.023 7.460 3.749 1.00 0.00 O ATOM 139 OE2 GLU A 13 -14.904 7.941 3.421 1.00 0.00 O ATOM 0 H GLU A 13 -17.346 5.278 8.245 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.956 3.887 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.359 6.283 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.053 6.564 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.407 6.309 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.352 5.194 4.291 1.00 0.00 H new ATOM 146 N GLN A 14 -14.632 4.046 8.013 1.00 0.00 N ATOM 147 CA GLN A 14 -13.316 3.548 8.396 1.00 0.00 C ATOM 148 C GLN A 14 -13.353 2.043 8.640 1.00 0.00 C ATOM 149 O GLN A 14 -12.461 1.312 8.209 1.00 0.00 O ATOM 150 CB GLN A 14 -12.821 4.268 9.651 1.00 0.00 C ATOM 151 CG GLN A 14 -12.570 5.753 9.442 1.00 0.00 C ATOM 152 CD GLN A 14 -11.883 6.402 10.627 1.00 0.00 C ATOM 153 OE1 GLN A 14 -11.408 5.718 11.534 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.824 7.728 10.624 1.00 0.00 N ATOM 0 H GLN A 14 -15.154 4.487 8.771 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.627 3.747 7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.555 4.141 10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.899 3.796 9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.958 5.892 8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.520 6.255 9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.231 8.255 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.371 8.220 11.394 1.00 0.00 H new ATOM 163 N ARG A 15 -14.391 1.587 9.334 1.00 0.00 N ATOM 164 CA ARG A 15 -14.543 0.169 9.637 1.00 0.00 C ATOM 165 C ARG A 15 -14.481 -0.669 8.363 1.00 0.00 C ATOM 166 O ARG A 15 -13.996 -1.800 8.376 1.00 0.00 O ATOM 167 CB ARG A 15 -15.867 -0.081 10.361 1.00 0.00 C ATOM 168 CG ARG A 15 -17.091 0.245 9.521 1.00 0.00 C ATOM 169 CD ARG A 15 -18.377 -0.141 10.236 1.00 0.00 C ATOM 170 NE ARG A 15 -19.493 -0.299 9.308 1.00 0.00 N ATOM 171 CZ ARG A 15 -19.684 -1.383 8.565 1.00 0.00 C ATOM 172 NH1 ARG A 15 -18.836 -2.400 8.641 1.00 0.00 N ATOM 173 NH2 ARG A 15 -20.724 -1.452 7.744 1.00 0.00 N ATOM 0 H ARG A 15 -15.139 2.179 9.697 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.720 -0.128 10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -15.913 -1.127 10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.892 0.517 11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.105 1.311 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.031 -0.282 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.223 -1.073 10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.624 0.622 10.974 1.00 0.00 H new ATOM 0 HE ARG A 15 -20.163 0.466 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.035 -2.350 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.985 -3.232 8.069 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.378 -0.672 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -20.869 -2.285 7.174 1.00 0.00 H new ATOM 187 N GLN A 16 -14.977 -0.106 7.266 1.00 0.00 N ATOM 188 CA GLN A 16 -14.979 -0.802 5.985 1.00 0.00 C ATOM 189 C GLN A 16 -13.594 -0.774 5.348 1.00 0.00 C ATOM 190 O GLN A 16 -13.244 -1.651 4.558 1.00 0.00 O ATOM 191 CB GLN A 16 -16.001 -0.169 5.039 1.00 0.00 C ATOM 192 CG GLN A 16 -17.443 -0.379 5.472 1.00 0.00 C ATOM 193 CD GLN A 16 -18.440 0.077 4.425 1.00 0.00 C ATOM 194 OE1 GLN A 16 -18.896 1.221 4.443 1.00 0.00 O ATOM 195 NE2 GLN A 16 -18.783 -0.816 3.505 1.00 0.00 N ATOM 0 H GLN A 16 -15.382 0.830 7.239 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.255 -1.841 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.804 0.901 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.866 -0.585 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.604 -1.436 5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.622 0.164 6.400 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.380 -1.753 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.449 -0.565 2.775 1.00 0.00 H new ATOM 204 N LYS A 17 -12.808 0.240 5.696 1.00 0.00 N ATOM 205 CA LYS A 17 -11.460 0.382 5.160 1.00 0.00 C ATOM 206 C LYS A 17 -10.512 -0.630 5.794 1.00 0.00 C ATOM 207 O LYS A 17 -9.504 -1.009 5.197 1.00 0.00 O ATOM 208 CB LYS A 17 -10.941 1.802 5.400 1.00 0.00 C ATOM 209 CG LYS A 17 -11.499 2.826 4.426 1.00 0.00 C ATOM 210 CD LYS A 17 -11.311 4.244 4.939 1.00 0.00 C ATOM 211 CE LYS A 17 -11.727 5.273 3.899 1.00 0.00 C ATOM 212 NZ LYS A 17 -10.881 5.197 2.676 1.00 0.00 N ATOM 0 H LYS A 17 -13.082 0.976 6.347 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.501 0.192 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.193 2.105 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.853 1.799 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.004 2.719 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.560 2.635 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.898 4.385 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.266 4.399 5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.771 5.115 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.656 6.272 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.173 5.936 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.884 5.339 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.994 4.263 2.233 1.00 0.00 H new ATOM 226 N ARG A 18 -10.842 -1.066 7.005 1.00 0.00 N ATOM 227 CA ARG A 18 -10.020 -2.035 7.720 1.00 0.00 C ATOM 228 C ARG A 18 -10.089 -3.404 7.050 1.00 0.00 C ATOM 229 O ARG A 18 -9.125 -4.170 7.080 1.00 0.00 O ATOM 230 CB ARG A 18 -10.473 -2.144 9.177 1.00 0.00 C ATOM 231 CG ARG A 18 -9.835 -1.112 10.092 1.00 0.00 C ATOM 232 CD ARG A 18 -10.680 0.149 10.183 1.00 0.00 C ATOM 233 NE ARG A 18 -10.390 0.916 11.392 1.00 0.00 N ATOM 234 CZ ARG A 18 -10.863 0.601 12.592 1.00 0.00 C ATOM 235 NH1 ARG A 18 -11.643 -0.460 12.744 1.00 0.00 N ATOM 236 NH2 ARG A 18 -10.555 1.348 13.645 1.00 0.00 N ATOM 0 H ARG A 18 -11.674 -0.763 7.512 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.987 -1.688 7.694 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.557 -2.035 9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.237 -3.141 9.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.705 -1.537 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.842 -0.860 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.498 0.771 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.736 -0.120 10.169 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.792 1.738 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.882 -1.037 11.938 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.005 -0.699 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.955 2.165 13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.919 1.105 14.566 1.00 0.00 H new ATOM 250 N ARG A 19 -11.234 -3.706 6.447 1.00 0.00 N ATOM 251 CA ARG A 19 -11.429 -4.983 5.772 1.00 0.00 C ATOM 252 C ARG A 19 -10.510 -5.103 4.560 1.00 0.00 C ATOM 253 O ARG A 19 -9.861 -6.130 4.360 1.00 0.00 O ATOM 254 CB ARG A 19 -12.887 -5.137 5.337 1.00 0.00 C ATOM 255 CG ARG A 19 -13.836 -5.446 6.484 1.00 0.00 C ATOM 256 CD ARG A 19 -13.873 -6.934 6.791 1.00 0.00 C ATOM 257 NE ARG A 19 -14.888 -7.262 7.789 1.00 0.00 N ATOM 258 CZ ARG A 19 -15.234 -8.506 8.103 1.00 0.00 C ATOM 259 NH1 ARG A 19 -14.650 -9.533 7.502 1.00 0.00 N ATOM 260 NH2 ARG A 19 -16.167 -8.723 9.022 1.00 0.00 N ATOM 0 H ARG A 19 -12.041 -3.083 6.412 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.181 -5.778 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.210 -4.219 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.954 -5.934 4.596 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.525 -4.898 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.838 -5.101 6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.074 -7.488 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.895 -7.255 7.150 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.356 -6.495 8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.932 -9.370 6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.918 -10.486 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -16.618 -7.935 9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.433 -9.678 9.263 1.00 0.00 H new ATOM 274 N ARG A 20 -10.461 -4.047 3.754 1.00 0.00 N ATOM 275 CA ARG A 20 -9.623 -4.035 2.561 1.00 0.00 C ATOM 276 C ARG A 20 -8.167 -4.318 2.917 1.00 0.00 C ATOM 277 O ARG A 20 -7.404 -4.824 2.093 1.00 0.00 O ATOM 278 CB ARG A 20 -9.733 -2.686 1.849 1.00 0.00 C ATOM 279 CG ARG A 20 -11.165 -2.233 1.619 1.00 0.00 C ATOM 280 CD ARG A 20 -11.228 -1.041 0.676 1.00 0.00 C ATOM 281 NE ARG A 20 -10.978 -1.426 -0.710 1.00 0.00 N ATOM 282 CZ ARG A 20 -11.889 -1.998 -1.490 1.00 0.00 C ATOM 283 NH1 ARG A 20 -13.104 -2.248 -1.021 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.586 -2.319 -2.741 1.00 0.00 N ATOM 0 H ARG A 20 -10.992 -3.189 3.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.974 -4.821 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.212 -1.931 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.222 -2.749 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.746 -3.057 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.622 -1.968 2.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.209 -0.571 0.750 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.494 -0.296 0.983 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.053 -1.246 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.341 -2.001 -0.060 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.802 -2.687 -1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.653 -2.127 -3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.286 -2.758 -3.339 1.00 0.00 H new ATOM 298 N ILE A 21 -7.788 -3.989 4.147 1.00 0.00 N ATOM 299 CA ILE A 21 -6.424 -4.208 4.611 1.00 0.00 C ATOM 300 C ILE A 21 -6.174 -5.683 4.906 1.00 0.00 C ATOM 301 O ILE A 21 -5.132 -6.230 4.547 1.00 0.00 O ATOM 302 CB ILE A 21 -6.121 -3.385 5.876 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.362 -1.897 5.613 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.689 -3.622 6.332 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.322 -1.048 6.864 1.00 0.00 C ATOM 0 H ILE A 21 -8.407 -3.569 4.841 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.762 -3.883 3.809 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.793 -3.708 6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.610 -1.534 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.332 -1.774 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.490 -3.033 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.548 -4.680 6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.001 -3.323 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.501 -0.005 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.093 -1.385 7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.344 -1.141 7.336 1.00 0.00 H new ATOM 317 N GLU A 22 -7.139 -6.322 5.560 1.00 0.00 N ATOM 318 CA GLU A 22 -7.024 -7.735 5.902 1.00 0.00 C ATOM 319 C GLU A 22 -6.679 -8.566 4.669 1.00 0.00 C ATOM 320 O GLU A 22 -5.603 -9.159 4.588 1.00 0.00 O ATOM 321 CB GLU A 22 -8.327 -8.241 6.523 1.00 0.00 C ATOM 322 CG GLU A 22 -8.638 -7.621 7.875 1.00 0.00 C ATOM 323 CD GLU A 22 -10.052 -7.911 8.339 1.00 0.00 C ATOM 324 OE1 GLU A 22 -10.713 -8.774 7.725 1.00 0.00 O ATOM 325 OE2 GLU A 22 -10.498 -7.274 9.316 1.00 0.00 O ATOM 0 H GLU A 22 -8.009 -5.884 5.863 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.219 -7.842 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.150 -8.033 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.270 -9.324 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.932 -7.999 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.493 -6.542 7.818 1.00 0.00 H new ATOM 332 N VAL A 23 -7.601 -8.606 3.713 1.00 0.00 N ATOM 333 CA VAL A 23 -7.395 -9.364 2.484 1.00 0.00 C ATOM 334 C VAL A 23 -6.065 -9.003 1.832 1.00 0.00 C ATOM 335 O VAL A 23 -5.306 -9.880 1.421 1.00 0.00 O ATOM 336 CB VAL A 23 -8.532 -9.116 1.475 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.337 -9.969 0.231 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.883 -9.396 2.116 1.00 0.00 C ATOM 0 H VAL A 23 -8.498 -8.123 3.765 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.387 -10.418 2.760 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.507 -8.068 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.150 -9.780 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.386 -9.716 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.335 -11.023 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.675 -9.216 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.922 -10.435 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.022 -8.739 2.974 1.00 0.00 H new ATOM 348 N ALA A 24 -5.789 -7.707 1.741 1.00 0.00 N ATOM 349 CA ALA A 24 -4.549 -7.230 1.142 1.00 0.00 C ATOM 350 C ALA A 24 -3.335 -7.848 1.826 1.00 0.00 C ATOM 351 O ALA A 24 -2.447 -8.392 1.167 1.00 0.00 O ATOM 352 CB ALA A 24 -4.479 -5.711 1.210 1.00 0.00 C ATOM 0 H ALA A 24 -6.408 -6.968 2.075 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.539 -7.537 0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.547 -5.369 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.323 -5.283 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.517 -5.391 2.251 1.00 0.00 H new ATOM 358 N LEU A 25 -3.301 -7.762 3.151 1.00 0.00 N ATOM 359 CA LEU A 25 -2.194 -8.313 3.926 1.00 0.00 C ATOM 360 C LEU A 25 -2.015 -9.800 3.638 1.00 0.00 C ATOM 361 O LEU A 25 -0.914 -10.254 3.329 1.00 0.00 O ATOM 362 CB LEU A 25 -2.435 -8.097 5.421 1.00 0.00 C ATOM 363 CG LEU A 25 -2.013 -6.737 5.979 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.356 -6.636 7.457 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.525 -6.508 5.758 1.00 0.00 C ATOM 0 H LEU A 25 -4.027 -7.316 3.712 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.283 -7.792 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.497 -8.236 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.903 -8.874 5.970 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.563 -5.961 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.048 -5.662 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.431 -6.754 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.835 -7.420 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.243 -5.536 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.042 -7.289 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.307 -6.535 4.690 1.00 0.00 H new ATOM 377 N ILE A 26 -3.106 -10.553 3.740 1.00 0.00 N ATOM 378 CA ILE A 26 -3.070 -11.988 3.487 1.00 0.00 C ATOM 379 C ILE A 26 -2.425 -12.292 2.139 1.00 0.00 C ATOM 380 O ILE A 26 -1.430 -13.012 2.065 1.00 0.00 O ATOM 381 CB ILE A 26 -4.482 -12.601 3.519 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.144 -12.343 4.874 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.418 -14.093 3.230 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.648 -12.498 4.852 1.00 0.00 C ATOM 0 H ILE A 26 -4.025 -10.193 3.996 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.472 -12.434 4.282 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.086 -12.126 2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.727 -13.031 5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.896 -11.334 5.204 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.424 -14.512 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.983 -14.254 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.801 -14.583 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.049 -12.300 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.076 -11.791 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.905 -13.514 4.553 1.00 0.00 H new ATOM 396 N GLU A 27 -3.000 -11.738 1.076 1.00 0.00 N ATOM 397 CA GLU A 27 -2.480 -11.950 -0.270 1.00 0.00 C ATOM 398 C GLU A 27 -0.988 -11.637 -0.332 1.00 0.00 C ATOM 399 O GLU A 27 -0.205 -12.403 -0.897 1.00 0.00 O ATOM 400 CB GLU A 27 -3.237 -11.081 -1.276 1.00 0.00 C ATOM 401 CG GLU A 27 -4.635 -11.588 -1.588 1.00 0.00 C ATOM 402 CD GLU A 27 -4.633 -12.996 -2.151 1.00 0.00 C ATOM 403 OE1 GLU A 27 -3.995 -13.214 -3.202 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.270 -13.879 -1.539 1.00 0.00 O ATOM 0 H GLU A 27 -3.825 -11.140 1.121 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.625 -12.999 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.307 -10.066 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.664 -11.028 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.237 -11.565 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.110 -10.916 -2.302 1.00 0.00 H new ATOM 411 N TYR A 28 -0.601 -10.508 0.250 1.00 0.00 N ATOM 412 CA TYR A 28 0.796 -10.092 0.259 1.00 0.00 C ATOM 413 C TYR A 28 1.672 -11.136 0.944 1.00 0.00 C ATOM 414 O TYR A 28 2.679 -11.577 0.390 1.00 0.00 O ATOM 415 CB TYR A 28 0.944 -8.743 0.966 1.00 0.00 C ATOM 416 CG TYR A 28 2.222 -8.014 0.617 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.632 -7.882 -0.704 1.00 0.00 C ATOM 418 CD2 TYR A 28 3.019 -7.456 1.609 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.799 -7.217 -1.026 1.00 0.00 C ATOM 420 CE2 TYR A 28 4.187 -6.788 1.296 1.00 0.00 C ATOM 421 CZ TYR A 28 4.573 -6.672 -0.023 1.00 0.00 C ATOM 422 OH TYR A 28 5.736 -6.008 -0.340 1.00 0.00 O ATOM 0 H TYR A 28 -1.236 -9.864 0.722 1.00 0.00 H new ATOM 0 HA TYR A 28 1.124 -9.991 -0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.094 -8.112 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.908 -8.901 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.028 -8.307 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.720 -7.546 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.104 -7.124 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.794 -6.359 2.079 1.00 0.00 H new ATOM 0 HH TYR A 28 6.035 -5.485 0.433 1.00 0.00 H new ATOM 432 N ARG A 29 1.279 -11.529 2.151 1.00 0.00 N ATOM 433 CA ARG A 29 2.027 -12.521 2.913 1.00 0.00 C ATOM 434 C ARG A 29 2.277 -13.773 2.077 1.00 0.00 C ATOM 435 O ARG A 29 3.416 -14.217 1.934 1.00 0.00 O ATOM 436 CB ARG A 29 1.271 -12.891 4.190 1.00 0.00 C ATOM 437 CG ARG A 29 2.179 -13.165 5.378 1.00 0.00 C ATOM 438 CD ARG A 29 1.392 -13.680 6.573 1.00 0.00 C ATOM 439 NE ARG A 29 2.238 -14.417 7.509 1.00 0.00 N ATOM 440 CZ ARG A 29 1.812 -14.875 8.680 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.557 -14.674 9.058 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.642 -15.537 9.477 1.00 0.00 N ATOM 0 H ARG A 29 0.446 -11.175 2.622 1.00 0.00 H new ATOM 0 HA ARG A 29 2.989 -12.086 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.588 -12.081 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.661 -13.774 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.937 -13.897 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.705 -12.251 5.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.926 -12.841 7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.587 -14.327 6.225 1.00 0.00 H new ATOM 0 HE ARG A 29 3.209 -14.589 7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.084 -14.166 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.233 -15.027 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.608 -15.694 9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.314 -15.888 10.376 1.00 0.00 H new ATOM 456 N GLU A 30 1.205 -14.336 1.528 1.00 0.00 N ATOM 457 CA GLU A 30 1.310 -15.537 0.708 1.00 0.00 C ATOM 458 C GLU A 30 2.291 -15.327 -0.441 1.00 0.00 C ATOM 459 O GLU A 30 3.177 -16.150 -0.676 1.00 0.00 O ATOM 460 CB GLU A 30 -0.063 -15.926 0.156 1.00 0.00 C ATOM 461 CG GLU A 30 -1.066 -16.309 1.232 1.00 0.00 C ATOM 462 CD GLU A 30 -0.901 -17.742 1.699 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.913 -18.651 0.843 1.00 0.00 O ATOM 464 OE2 GLU A 30 -0.760 -17.954 2.922 1.00 0.00 O ATOM 0 H GLU A 30 0.255 -13.980 1.636 1.00 0.00 H new ATOM 0 HA GLU A 30 1.683 -16.345 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.463 -15.092 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.055 -16.763 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.954 -15.638 2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.076 -16.170 0.848 1.00 0.00 H new ATOM 471 N THR A 31 2.127 -14.219 -1.158 1.00 0.00 N ATOM 472 CA THR A 31 2.996 -13.901 -2.283 1.00 0.00 C ATOM 473 C THR A 31 4.456 -13.834 -1.850 1.00 0.00 C ATOM 474 O THR A 31 5.350 -14.273 -2.574 1.00 0.00 O ATOM 475 CB THR A 31 2.603 -12.562 -2.935 1.00 0.00 C ATOM 476 OG1 THR A 31 1.190 -12.522 -3.160 1.00 0.00 O ATOM 477 CG2 THR A 31 3.337 -12.365 -4.253 1.00 0.00 C ATOM 0 H THR A 31 1.399 -13.527 -0.979 1.00 0.00 H new ATOM 0 HA THR A 31 2.874 -14.702 -3.012 1.00 0.00 H new ATOM 0 HB THR A 31 2.885 -11.757 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.741 -12.182 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.043 -11.413 -4.694 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.412 -12.366 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.082 -13.175 -4.936 1.00 0.00 H new ATOM 485 N LEU A 32 4.691 -13.282 -0.664 1.00 0.00 N ATOM 486 CA LEU A 32 6.044 -13.158 -0.133 1.00 0.00 C ATOM 487 C LEU A 32 6.659 -14.531 0.116 1.00 0.00 C ATOM 488 O LEU A 32 7.784 -14.802 -0.301 1.00 0.00 O ATOM 489 CB LEU A 32 6.030 -12.349 1.166 1.00 0.00 C ATOM 490 CG LEU A 32 5.776 -10.849 1.019 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.811 -10.166 2.377 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.797 -10.224 0.079 1.00 0.00 C ATOM 0 H LEU A 32 3.962 -12.914 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 32 6.652 -12.637 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.264 -12.764 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.988 -12.488 1.667 1.00 0.00 H new ATOM 0 HG LEU A 32 4.784 -10.709 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.628 -9.099 2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.041 -10.593 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.789 -10.316 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.600 -9.156 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.800 -10.375 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.723 -10.693 -0.902 1.00 0.00 H new ATOM 504 N GLU A 33 5.911 -15.394 0.798 1.00 0.00 N ATOM 505 CA GLU A 33 6.384 -16.740 1.101 1.00 0.00 C ATOM 506 C GLU A 33 6.685 -17.512 -0.180 1.00 0.00 C ATOM 507 O GLU A 33 7.665 -18.253 -0.254 1.00 0.00 O ATOM 508 CB GLU A 33 5.344 -17.495 1.932 1.00 0.00 C ATOM 509 CG GLU A 33 5.266 -17.031 3.376 1.00 0.00 C ATOM 510 CD GLU A 33 4.375 -17.916 4.226 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.771 -18.857 3.670 1.00 0.00 O ATOM 512 OE2 GLU A 33 4.282 -17.669 5.447 1.00 0.00 O ATOM 0 H GLU A 33 4.977 -15.185 1.150 1.00 0.00 H new ATOM 0 HA GLU A 33 7.305 -16.653 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.365 -17.377 1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.579 -18.559 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.269 -17.014 3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.890 -16.008 3.405 1.00 0.00 H new ATOM 519 N GLU A 34 5.834 -17.333 -1.186 1.00 0.00 N ATOM 520 CA GLU A 34 6.009 -18.014 -2.464 1.00 0.00 C ATOM 521 C GLU A 34 7.106 -17.349 -3.289 1.00 0.00 C ATOM 522 O GLU A 34 7.709 -17.977 -4.159 1.00 0.00 O ATOM 523 CB GLU A 34 4.696 -18.017 -3.249 1.00 0.00 C ATOM 524 CG GLU A 34 3.627 -18.912 -2.645 1.00 0.00 C ATOM 525 CD GLU A 34 4.109 -20.335 -2.435 1.00 0.00 C ATOM 526 OE1 GLU A 34 4.176 -21.090 -3.428 1.00 0.00 O ATOM 527 OE2 GLU A 34 4.417 -20.693 -1.280 1.00 0.00 O ATOM 0 H GLU A 34 5.018 -16.723 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 34 6.305 -19.043 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.314 -16.998 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.894 -18.341 -4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.307 -18.496 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.754 -18.920 -3.298 1.00 0.00 H new ATOM 534 N GLN A 35 7.358 -16.074 -3.010 1.00 0.00 N ATOM 535 CA GLN A 35 8.382 -15.323 -3.728 1.00 0.00 C ATOM 536 C GLN A 35 9.779 -15.757 -3.296 1.00 0.00 C ATOM 537 O GLN A 35 10.778 -15.339 -3.880 1.00 0.00 O ATOM 538 CB GLN A 35 8.205 -13.823 -3.489 1.00 0.00 C ATOM 539 CG GLN A 35 7.432 -13.118 -4.593 1.00 0.00 C ATOM 540 CD GLN A 35 7.235 -11.641 -4.315 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.698 -11.121 -3.300 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.545 -10.955 -5.219 1.00 0.00 N ATOM 0 H GLN A 35 6.868 -15.540 -2.293 1.00 0.00 H new ATOM 0 HA GLN A 35 8.270 -15.530 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.687 -13.673 -2.542 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.187 -13.361 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.963 -13.239 -5.537 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.459 -13.595 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.179 -11.426 -6.046 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.381 -9.957 -5.086 1.00 0.00 H new ATOM 551 N GLY A 36 9.840 -16.599 -2.269 1.00 0.00 N ATOM 552 CA GLY A 36 11.120 -17.076 -1.776 1.00 0.00 C ATOM 553 C GLY A 36 11.387 -16.646 -0.347 1.00 0.00 C ATOM 554 O GLY A 36 12.283 -17.175 0.309 1.00 0.00 O ATOM 0 H GLY A 36 9.027 -16.959 -1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.146 -18.164 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.916 -16.702 -2.420 1.00 0.00 H new ATOM 558 N MET A 37 10.608 -15.683 0.135 1.00 0.00 N ATOM 559 CA MET A 37 10.767 -15.182 1.495 1.00 0.00 C ATOM 560 C MET A 37 10.633 -16.313 2.510 1.00 0.00 C ATOM 561 O MET A 37 9.554 -16.880 2.685 1.00 0.00 O ATOM 562 CB MET A 37 9.729 -14.096 1.786 1.00 0.00 C ATOM 563 CG MET A 37 9.753 -12.950 0.787 1.00 0.00 C ATOM 564 SD MET A 37 10.901 -11.642 1.258 1.00 0.00 S ATOM 565 CE MET A 37 9.918 -10.744 2.456 1.00 0.00 C ATOM 0 H MET A 37 9.861 -15.235 -0.396 1.00 0.00 H new ATOM 0 HA MET A 37 11.766 -14.754 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.736 -14.545 1.788 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.901 -13.699 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.030 -13.335 -0.195 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.750 -12.532 0.695 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.408 -9.800 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.930 -10.545 2.040 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.817 -11.340 3.363 1.00 0.00 H new ATOM 575 N LYS A 38 11.736 -16.638 3.176 1.00 0.00 N ATOM 576 CA LYS A 38 11.743 -17.700 4.174 1.00 0.00 C ATOM 577 C LYS A 38 12.262 -17.186 5.513 1.00 0.00 C ATOM 578 O LYS A 38 12.775 -17.953 6.327 1.00 0.00 O ATOM 579 CB LYS A 38 12.605 -18.871 3.697 1.00 0.00 C ATOM 580 CG LYS A 38 11.997 -19.640 2.536 1.00 0.00 C ATOM 581 CD LYS A 38 12.442 -21.093 2.536 1.00 0.00 C ATOM 582 CE LYS A 38 13.935 -21.219 2.275 1.00 0.00 C ATOM 583 NZ LYS A 38 14.412 -22.619 2.443 1.00 0.00 N ATOM 0 H LYS A 38 12.638 -16.180 3.042 1.00 0.00 H new ATOM 0 HA LYS A 38 10.717 -18.043 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.583 -18.494 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.767 -19.555 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.910 -19.591 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.286 -19.170 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.200 -21.549 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.891 -21.643 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.157 -20.879 1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.479 -20.566 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.434 -22.662 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.224 -22.935 3.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.912 -23.239 1.774 1.00 0.00 H new ATOM 597 N ASN A 39 12.124 -15.883 5.735 1.00 0.00 N ATOM 598 CA ASN A 39 12.578 -15.267 6.976 1.00 0.00 C ATOM 599 C ASN A 39 11.492 -14.376 7.571 1.00 0.00 C ATOM 600 O ASN A 39 10.685 -13.778 6.859 1.00 0.00 O ATOM 601 CB ASN A 39 13.846 -14.447 6.729 1.00 0.00 C ATOM 602 CG ASN A 39 15.006 -14.899 7.595 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.203 -16.095 7.814 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.780 -13.943 8.094 1.00 0.00 N ATOM 0 H ASN A 39 11.701 -15.234 5.072 1.00 0.00 H new ATOM 0 HA ASN A 39 12.800 -16.063 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.128 -14.526 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.639 -13.395 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.575 -14.187 8.685 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.580 -12.965 7.887 1.00 0.00 H new ATOM 611 N PRO A 40 11.469 -14.284 8.909 1.00 0.00 N ATOM 612 CA PRO A 40 10.488 -13.467 9.630 1.00 0.00 C ATOM 613 C PRO A 40 10.720 -11.973 9.433 1.00 0.00 C ATOM 614 O PRO A 40 9.792 -11.228 9.121 1.00 0.00 O ATOM 615 CB PRO A 40 10.711 -13.855 11.094 1.00 0.00 C ATOM 616 CG PRO A 40 12.124 -14.323 11.151 1.00 0.00 C ATOM 617 CD PRO A 40 12.400 -14.969 9.821 1.00 0.00 C ATOM 0 HA PRO A 40 9.472 -13.645 9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.548 -13.006 11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.021 -14.640 11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.804 -13.490 11.329 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.268 -15.032 11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.437 -14.831 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.217 -16.043 9.850 1.00 0.00 H new ATOM 625 N GLU A 41 11.964 -11.543 9.617 1.00 0.00 N ATOM 626 CA GLU A 41 12.317 -10.137 9.460 1.00 0.00 C ATOM 627 C GLU A 41 11.885 -9.618 8.091 1.00 0.00 C ATOM 628 O GLU A 41 11.212 -8.592 7.990 1.00 0.00 O ATOM 629 CB GLU A 41 13.824 -9.943 9.638 1.00 0.00 C ATOM 630 CG GLU A 41 14.347 -10.437 10.977 1.00 0.00 C ATOM 631 CD GLU A 41 13.751 -9.684 12.150 1.00 0.00 C ATOM 632 OE1 GLU A 41 13.830 -8.437 12.155 1.00 0.00 O ATOM 633 OE2 GLU A 41 13.207 -10.339 13.062 1.00 0.00 O ATOM 0 H GLU A 41 12.744 -12.148 9.875 1.00 0.00 H new ATOM 0 HA GLU A 41 11.792 -9.569 10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.346 -10.467 8.838 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.060 -8.884 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.124 -11.499 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.432 -10.336 10.999 1.00 0.00 H new ATOM 640 N GLU A 42 12.278 -10.333 7.042 1.00 0.00 N ATOM 641 CA GLU A 42 11.932 -9.944 5.680 1.00 0.00 C ATOM 642 C GLU A 42 10.427 -9.734 5.539 1.00 0.00 C ATOM 643 O GLU A 42 9.968 -8.626 5.259 1.00 0.00 O ATOM 644 CB GLU A 42 12.405 -11.007 4.687 1.00 0.00 C ATOM 645 CG GLU A 42 13.154 -10.436 3.494 1.00 0.00 C ATOM 646 CD GLU A 42 14.548 -9.960 3.855 1.00 0.00 C ATOM 647 OE1 GLU A 42 14.690 -8.781 4.242 1.00 0.00 O ATOM 648 OE2 GLU A 42 15.496 -10.765 3.749 1.00 0.00 O ATOM 0 H GLU A 42 12.836 -11.184 7.109 1.00 0.00 H new ATOM 0 HA GLU A 42 12.434 -9.002 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.051 -11.715 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.541 -11.567 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.224 -11.196 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.586 -9.604 3.077 1.00 0.00 H new ATOM 655 N ILE A 43 9.666 -10.805 5.734 1.00 0.00 N ATOM 656 CA ILE A 43 8.213 -10.738 5.630 1.00 0.00 C ATOM 657 C ILE A 43 7.650 -9.622 6.503 1.00 0.00 C ATOM 658 O ILE A 43 6.933 -8.746 6.021 1.00 0.00 O ATOM 659 CB ILE A 43 7.558 -12.072 6.035 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.062 -13.205 5.139 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.042 -11.962 5.957 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.457 -14.552 5.470 1.00 0.00 C ATOM 0 H ILE A 43 10.031 -11.729 5.965 1.00 0.00 H new ATOM 0 HA ILE A 43 7.980 -10.531 4.585 1.00 0.00 H new ATOM 0 HB ILE A 43 7.834 -12.298 7.065 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.840 -12.962 4.100 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.146 -13.271 5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.593 -12.912 6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.699 -11.178 6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.747 -11.717 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.860 -15.307 4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.701 -14.817 6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.374 -14.503 5.355 1.00 0.00 H new ATOM 674 N GLU A 44 7.981 -9.661 7.790 1.00 0.00 N ATOM 675 CA GLU A 44 7.508 -8.651 8.730 1.00 0.00 C ATOM 676 C GLU A 44 7.805 -7.246 8.215 1.00 0.00 C ATOM 677 O GLU A 44 7.012 -6.324 8.404 1.00 0.00 O ATOM 678 CB GLU A 44 8.161 -8.853 10.100 1.00 0.00 C ATOM 679 CG GLU A 44 7.552 -9.989 10.903 1.00 0.00 C ATOM 680 CD GLU A 44 6.111 -9.721 11.293 1.00 0.00 C ATOM 681 OE1 GLU A 44 5.766 -8.541 11.509 1.00 0.00 O ATOM 682 OE2 GLU A 44 5.330 -10.691 11.383 1.00 0.00 O ATOM 0 H GLU A 44 8.574 -10.380 8.205 1.00 0.00 H new ATOM 0 HA GLU A 44 6.428 -8.761 8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.225 -9.047 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.078 -7.929 10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.602 -10.909 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.144 -10.150 11.804 1.00 0.00 H new ATOM 689 N ARG A 45 8.953 -7.092 7.563 1.00 0.00 N ATOM 690 CA ARG A 45 9.356 -5.799 7.022 1.00 0.00 C ATOM 691 C ARG A 45 8.420 -5.364 5.898 1.00 0.00 C ATOM 692 O ARG A 45 7.762 -4.328 5.989 1.00 0.00 O ATOM 693 CB ARG A 45 10.795 -5.865 6.505 1.00 0.00 C ATOM 694 CG ARG A 45 11.351 -4.517 6.077 1.00 0.00 C ATOM 695 CD ARG A 45 12.871 -4.514 6.081 1.00 0.00 C ATOM 696 NE ARG A 45 13.418 -3.231 5.647 1.00 0.00 N ATOM 697 CZ ARG A 45 14.668 -3.068 5.230 1.00 0.00 C ATOM 698 NH1 ARG A 45 15.497 -4.102 5.190 1.00 0.00 N ATOM 699 NH2 ARG A 45 15.092 -1.869 4.852 1.00 0.00 N ATOM 0 H ARG A 45 9.620 -7.846 7.397 1.00 0.00 H new ATOM 0 HA ARG A 45 9.298 -5.064 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.433 -6.281 7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.837 -6.551 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.988 -4.273 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.983 -3.741 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.231 -4.741 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.237 -5.304 5.425 1.00 0.00 H new ATOM 0 HE ARG A 45 12.806 -2.415 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.175 -5.025 5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.457 -3.974 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.457 -1.071 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.053 -1.745 4.532 1.00 0.00 H new ATOM 713 N LYS A 46 8.367 -6.163 4.837 1.00 0.00 N ATOM 714 CA LYS A 46 7.512 -5.863 3.695 1.00 0.00 C ATOM 715 C LYS A 46 6.060 -5.697 4.131 1.00 0.00 C ATOM 716 O LYS A 46 5.421 -4.690 3.826 1.00 0.00 O ATOM 717 CB LYS A 46 7.617 -6.973 2.647 1.00 0.00 C ATOM 718 CG LYS A 46 8.934 -6.971 1.889 1.00 0.00 C ATOM 719 CD LYS A 46 8.859 -7.834 0.640 1.00 0.00 C ATOM 720 CE LYS A 46 10.050 -7.593 -0.275 1.00 0.00 C ATOM 721 NZ LYS A 46 10.085 -6.193 -0.782 1.00 0.00 N ATOM 0 H LYS A 46 8.907 -7.024 4.745 1.00 0.00 H new ATOM 0 HA LYS A 46 7.851 -4.924 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.491 -7.938 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.798 -6.868 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.194 -5.949 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.729 -7.337 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.824 -8.886 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.936 -7.618 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.972 -7.807 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.007 -8.283 -1.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.677 -6.148 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.119 -5.883 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.483 -5.569 -0.051 1.00 0.00 H new ATOM 735 N VAL A 47 5.545 -6.690 4.849 1.00 0.00 N ATOM 736 CA VAL A 47 4.169 -6.653 5.329 1.00 0.00 C ATOM 737 C VAL A 47 3.894 -5.373 6.110 1.00 0.00 C ATOM 738 O VAL A 47 2.919 -4.670 5.845 1.00 0.00 O ATOM 739 CB VAL A 47 3.854 -7.865 6.226 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.430 -7.785 6.753 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.077 -9.163 5.463 1.00 0.00 C ATOM 0 H VAL A 47 6.060 -7.530 5.111 1.00 0.00 H new ATOM 0 HA VAL A 47 3.526 -6.685 4.449 1.00 0.00 H new ATOM 0 HB VAL A 47 4.532 -7.850 7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.227 -8.650 7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.309 -6.873 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.732 -7.775 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.850 -10.010 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.424 -9.189 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.117 -9.221 5.140 1.00 0.00 H new ATOM 751 N GLU A 48 4.760 -5.076 7.074 1.00 0.00 N ATOM 752 CA GLU A 48 4.610 -3.880 7.893 1.00 0.00 C ATOM 753 C GLU A 48 4.479 -2.635 7.020 1.00 0.00 C ATOM 754 O GLU A 48 3.534 -1.858 7.166 1.00 0.00 O ATOM 755 CB GLU A 48 5.803 -3.729 8.839 1.00 0.00 C ATOM 756 CG GLU A 48 5.770 -2.453 9.663 1.00 0.00 C ATOM 757 CD GLU A 48 6.510 -2.588 10.979 1.00 0.00 C ATOM 758 OE1 GLU A 48 6.260 -3.577 11.701 1.00 0.00 O ATOM 759 OE2 GLU A 48 7.338 -1.707 11.289 1.00 0.00 O ATOM 0 H GLU A 48 5.572 -5.647 7.306 1.00 0.00 H new ATOM 0 HA GLU A 48 3.699 -3.987 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.832 -4.586 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.723 -3.751 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.210 -1.640 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.734 -2.179 9.860 1.00 0.00 H new ATOM 766 N ILE A 49 5.433 -2.452 6.114 1.00 0.00 N ATOM 767 CA ILE A 49 5.424 -1.303 5.217 1.00 0.00 C ATOM 768 C ILE A 49 4.097 -1.196 4.474 1.00 0.00 C ATOM 769 O ILE A 49 3.494 -0.125 4.409 1.00 0.00 O ATOM 770 CB ILE A 49 6.570 -1.381 4.191 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.921 -1.437 4.906 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.514 -0.191 3.244 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.026 -2.033 4.063 1.00 0.00 C ATOM 0 H ILE A 49 6.222 -3.085 5.981 1.00 0.00 H new ATOM 0 HA ILE A 49 5.562 -0.417 5.837 1.00 0.00 H new ATOM 0 HB ILE A 49 6.453 -2.293 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.207 -0.429 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.816 -2.023 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.330 -0.260 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.562 -0.192 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.610 0.733 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.955 -2.041 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.762 -3.053 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.159 -1.435 3.162 1.00 0.00 H new ATOM 785 N ASN A 50 3.646 -2.315 3.915 1.00 0.00 N ATOM 786 CA ASN A 50 2.389 -2.347 3.176 1.00 0.00 C ATOM 787 C ASN A 50 1.217 -1.978 4.081 1.00 0.00 C ATOM 788 O ASN A 50 0.394 -1.131 3.733 1.00 0.00 O ATOM 789 CB ASN A 50 2.164 -3.735 2.573 1.00 0.00 C ATOM 790 CG ASN A 50 1.688 -3.670 1.135 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.998 -2.725 0.409 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.929 -4.677 0.716 1.00 0.00 N ATOM 0 H ASN A 50 4.132 -3.211 3.960 1.00 0.00 H new ATOM 0 HA ASN A 50 2.450 -1.614 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.093 -4.304 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.430 -4.274 3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.579 -4.687 -0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.697 -5.440 1.352 1.00 0.00 H new ATOM 799 N ARG A 51 1.148 -2.619 5.243 1.00 0.00 N ATOM 800 CA ARG A 51 0.078 -2.358 6.197 1.00 0.00 C ATOM 801 C ARG A 51 -0.042 -0.865 6.485 1.00 0.00 C ATOM 802 O ARG A 51 -1.129 -0.291 6.406 1.00 0.00 O ATOM 803 CB ARG A 51 0.329 -3.121 7.499 1.00 0.00 C ATOM 804 CG ARG A 51 -0.736 -2.886 8.558 1.00 0.00 C ATOM 805 CD ARG A 51 -0.463 -3.700 9.813 1.00 0.00 C ATOM 806 NE ARG A 51 0.801 -3.327 10.444 1.00 0.00 N ATOM 807 CZ ARG A 51 1.140 -3.683 11.678 1.00 0.00 C ATOM 808 NH1 ARG A 51 0.313 -4.417 12.410 1.00 0.00 N ATOM 809 NH2 ARG A 51 2.308 -3.305 12.182 1.00 0.00 N ATOM 0 H ARG A 51 1.821 -3.323 5.546 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.858 -2.702 5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.383 -4.188 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.299 -2.828 7.900 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.772 -1.826 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.714 -3.151 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.278 -3.557 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.443 -4.760 9.560 1.00 0.00 H new ATOM 0 HE ARG A 51 1.459 -2.762 9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.585 -4.709 12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.575 -4.689 13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.947 -2.740 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.567 -3.579 13.130 1.00 0.00 H new ATOM 823 N LYS A 52 1.081 -0.240 6.821 1.00 0.00 N ATOM 824 CA LYS A 52 1.104 1.187 7.121 1.00 0.00 C ATOM 825 C LYS A 52 0.691 2.005 5.902 1.00 0.00 C ATOM 826 O LYS A 52 -0.040 2.989 6.021 1.00 0.00 O ATOM 827 CB LYS A 52 2.501 1.610 7.583 1.00 0.00 C ATOM 828 CG LYS A 52 2.836 1.161 8.995 1.00 0.00 C ATOM 829 CD LYS A 52 4.046 1.899 9.542 1.00 0.00 C ATOM 830 CE LYS A 52 3.683 3.302 10.001 1.00 0.00 C ATOM 831 NZ LYS A 52 2.993 3.293 11.321 1.00 0.00 N ATOM 0 H LYS A 52 1.989 -0.700 6.893 1.00 0.00 H new ATOM 0 HA LYS A 52 0.390 1.376 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.241 1.201 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.580 2.696 7.528 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.979 1.333 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.030 0.088 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.468 1.340 10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.817 1.955 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.587 3.907 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.039 3.772 9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.823 4.271 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.085 2.794 11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.589 2.807 12.021 1.00 0.00 H new ATOM 845 N ARG A 53 1.163 1.592 4.730 1.00 0.00 N ATOM 846 CA ARG A 53 0.842 2.288 3.489 1.00 0.00 C ATOM 847 C ARG A 53 -0.663 2.279 3.235 1.00 0.00 C ATOM 848 O ARG A 53 -1.274 3.327 3.022 1.00 0.00 O ATOM 849 CB ARG A 53 1.573 1.639 2.312 1.00 0.00 C ATOM 850 CG ARG A 53 3.077 1.858 2.334 1.00 0.00 C ATOM 851 CD ARG A 53 3.476 3.066 1.501 1.00 0.00 C ATOM 852 NE ARG A 53 3.083 2.921 0.103 1.00 0.00 N ATOM 853 CZ ARG A 53 2.958 3.944 -0.736 1.00 0.00 C ATOM 854 NH1 ARG A 53 3.195 5.180 -0.319 1.00 0.00 N ATOM 855 NH2 ARG A 53 2.596 3.731 -1.995 1.00 0.00 N ATOM 0 H ARG A 53 1.769 0.780 4.614 1.00 0.00 H new ATOM 0 HA ARG A 53 1.171 3.323 3.586 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.370 0.568 2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.170 2.037 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.410 1.998 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.581 0.970 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.014 3.961 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.555 3.207 1.561 1.00 0.00 H new ATOM 0 HE ARG A 53 2.894 1.983 -0.250 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.474 5.347 0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.098 5.963 -0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.413 2.781 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.500 4.517 -2.638 1.00 0.00 H new ATOM 869 N LEU A 54 -1.254 1.089 3.257 1.00 0.00 N ATOM 870 CA LEU A 54 -2.687 0.943 3.028 1.00 0.00 C ATOM 871 C LEU A 54 -3.486 1.750 4.046 1.00 0.00 C ATOM 872 O LEU A 54 -4.346 2.550 3.680 1.00 0.00 O ATOM 873 CB LEU A 54 -3.088 -0.532 3.102 1.00 0.00 C ATOM 874 CG LEU A 54 -2.846 -1.357 1.838 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.915 -2.844 2.150 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.854 -0.989 0.760 1.00 0.00 C ATOM 0 H LEU A 54 -0.763 0.212 3.431 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.911 1.325 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.543 -0.995 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.148 -0.588 3.351 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.847 -1.131 1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.740 -3.416 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.154 -3.097 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.900 -3.087 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.667 -1.586 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.863 -1.186 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.756 0.069 0.516 1.00 0.00 H new ATOM 888 N GLU A 55 -3.194 1.536 5.325 1.00 0.00 N ATOM 889 CA GLU A 55 -3.885 2.245 6.395 1.00 0.00 C ATOM 890 C GLU A 55 -3.854 3.752 6.158 1.00 0.00 C ATOM 891 O GLU A 55 -4.894 4.409 6.123 1.00 0.00 O ATOM 892 CB GLU A 55 -3.250 1.917 7.748 1.00 0.00 C ATOM 893 CG GLU A 55 -3.913 0.754 8.466 1.00 0.00 C ATOM 894 CD GLU A 55 -3.517 0.668 9.927 1.00 0.00 C ATOM 895 OE1 GLU A 55 -2.442 1.193 10.283 1.00 0.00 O ATOM 896 OE2 GLU A 55 -4.284 0.075 10.715 1.00 0.00 O ATOM 0 H GLU A 55 -2.484 0.878 5.645 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.924 1.917 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.195 1.687 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.296 2.800 8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.996 0.856 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.646 -0.177 7.966 1.00 0.00 H new ATOM 903 N VAL A 56 -2.651 4.295 5.996 1.00 0.00 N ATOM 904 CA VAL A 56 -2.482 5.724 5.762 1.00 0.00 C ATOM 905 C VAL A 56 -3.125 6.145 4.445 1.00 0.00 C ATOM 906 O VAL A 56 -3.525 7.297 4.278 1.00 0.00 O ATOM 907 CB VAL A 56 -0.993 6.117 5.742 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.838 7.607 5.477 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.322 5.727 7.050 1.00 0.00 C ATOM 0 H VAL A 56 -1.779 3.766 6.023 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.976 6.240 6.585 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.503 5.575 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.221 7.866 5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.282 7.853 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.342 8.171 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.730 6.012 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.812 6.240 7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.402 4.649 7.193 1.00 0.00 H new ATOM 919 N ASP A 57 -3.222 5.203 3.513 1.00 0.00 N ATOM 920 CA ASP A 57 -3.819 5.475 2.211 1.00 0.00 C ATOM 921 C ASP A 57 -5.342 5.473 2.300 1.00 0.00 C ATOM 922 O ASP A 57 -6.023 6.076 1.470 1.00 0.00 O ATOM 923 CB ASP A 57 -3.354 4.439 1.187 1.00 0.00 C ATOM 924 CG ASP A 57 -2.099 4.870 0.455 1.00 0.00 C ATOM 925 OD1 ASP A 57 -1.509 5.900 0.845 1.00 0.00 O ATOM 926 OD2 ASP A 57 -1.705 4.178 -0.507 1.00 0.00 O ATOM 0 H ASP A 57 -2.895 4.245 3.635 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.494 6.464 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.169 3.491 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.151 4.264 0.464 1.00 0.00 H new ATOM 931 N TYR A 58 -5.870 4.791 3.310 1.00 0.00 N ATOM 932 CA TYR A 58 -7.312 4.708 3.505 1.00 0.00 C ATOM 933 C TYR A 58 -7.794 5.784 4.474 1.00 0.00 C ATOM 934 O TYR A 58 -8.892 6.318 4.330 1.00 0.00 O ATOM 935 CB TYR A 58 -7.698 3.324 4.030 1.00 0.00 C ATOM 936 CG TYR A 58 -7.753 2.262 2.954 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.446 2.481 1.770 1.00 0.00 C ATOM 938 CD2 TYR A 58 -7.111 1.042 3.122 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.499 1.513 0.785 1.00 0.00 C ATOM 940 CE2 TYR A 58 -7.158 0.069 2.142 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.853 0.310 0.976 1.00 0.00 C ATOM 942 OH TYR A 58 -7.903 -0.656 -0.004 1.00 0.00 O ATOM 0 H TYR A 58 -5.321 4.288 4.006 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.793 4.871 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.980 3.020 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.671 3.388 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.952 3.423 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.566 0.850 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.043 1.698 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.653 -0.875 2.289 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.396 -1.443 0.286 1.00 0.00 H new ATOM 952 N GLY A 59 -6.961 6.097 5.462 1.00 0.00 N ATOM 953 CA GLY A 59 -7.317 7.107 6.441 1.00 0.00 C ATOM 954 C GLY A 59 -7.249 6.587 7.863 1.00 0.00 C ATOM 955 O GLY A 59 -7.827 7.177 8.777 1.00 0.00 O ATOM 0 H GLY A 59 -6.046 5.669 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.647 7.961 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.326 7.467 6.237 1.00 0.00 H new ATOM 959 N LEU A 60 -6.543 5.478 8.052 1.00 0.00 N ATOM 960 CA LEU A 60 -6.402 4.876 9.373 1.00 0.00 C ATOM 961 C LEU A 60 -5.048 5.219 9.987 1.00 0.00 C ATOM 962 O LEU A 60 -4.578 4.538 10.899 1.00 0.00 O ATOM 963 CB LEU A 60 -6.564 3.357 9.284 1.00 0.00 C ATOM 964 CG LEU A 60 -7.884 2.857 8.696 1.00 0.00 C ATOM 965 CD1 LEU A 60 -9.047 3.693 9.207 1.00 0.00 C ATOM 966 CD2 LEU A 60 -7.834 2.883 7.175 1.00 0.00 C ATOM 0 H LEU A 60 -6.059 4.977 7.307 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.184 5.282 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.747 2.959 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.454 2.941 10.285 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.035 1.827 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.978 3.322 8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.095 3.623 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.902 4.734 8.916 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.782 2.524 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.659 3.903 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.026 2.240 6.826 1.00 0.00 H new ATOM 978 N SER A 61 -4.427 6.279 9.481 1.00 0.00 N ATOM 979 CA SER A 61 -3.126 6.712 9.977 1.00 0.00 C ATOM 980 C SER A 61 -2.648 7.957 9.236 1.00 0.00 C ATOM 981 O SER A 61 -2.337 7.902 8.047 1.00 0.00 O ATOM 982 CB SER A 61 -2.098 5.588 9.825 1.00 0.00 C ATOM 983 OG SER A 61 -0.785 6.062 10.067 1.00 0.00 O ATOM 0 H SER A 61 -4.804 6.854 8.728 1.00 0.00 H new ATOM 0 HA SER A 61 -3.232 6.958 11.034 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.331 4.782 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.158 5.170 8.820 1.00 0.00 H new ATOM 0 HG SER A 61 -0.147 5.325 9.965 1.00 0.00 H new TER 989 SER A 61