USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 455 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 8 CYS SG : rot -66:sc= -4.8! USER MOD Single : A 9 ASN : amide:sc= -0.0786 K(o=-0.079,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= -2.24! C(o=-2.2!,f=-7.2!) USER MOD Single : A 20 SER OG : rot 9:sc= -0.0146 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 1.12 (180deg=0.409) USER MOD Single : A 38 THR OG1 : rot 102:sc= 1.28 USER MOD Single : A 39 MET CE :methyl 171:sc= -0.0109 (180deg=-0.0455) USER MOD Single : A 46 THR OG1 : rot -82:sc= 1.36 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -31:sc= 0.756 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.11) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0.651 (180deg=0.513) USER MOD ----------------------------------------------------------------- ATOM 50 N GLU A 4 -7.365 -13.915 -1.607 1.00 0.00 N ATOM 51 CA GLU A 4 -7.642 -12.838 -0.672 1.00 0.00 C ATOM 52 C GLU A 4 -6.368 -12.148 -0.228 1.00 0.00 C ATOM 53 O GLU A 4 -5.574 -12.697 0.538 1.00 0.00 O ATOM 54 CB GLU A 4 -8.407 -13.361 0.534 1.00 0.00 C ATOM 55 CG GLU A 4 -9.845 -13.689 0.210 1.00 0.00 C ATOM 56 CD GLU A 4 -10.569 -14.317 1.375 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.908 -13.585 2.326 1.00 0.00 O ATOM 58 OE2 GLU A 4 -10.805 -15.542 1.347 1.00 0.00 O ATOM 0 HA GLU A 4 -8.259 -12.103 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.911 -14.254 0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.378 -12.616 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.364 -12.778 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.877 -14.368 -0.642 1.00 0.00 H new ATOM 65 N VAL A 5 -6.191 -10.942 -0.727 1.00 0.00 N ATOM 66 CA VAL A 5 -5.030 -10.136 -0.401 1.00 0.00 C ATOM 67 C VAL A 5 -5.316 -9.279 0.825 1.00 0.00 C ATOM 68 O VAL A 5 -6.223 -8.443 0.810 1.00 0.00 O ATOM 69 CB VAL A 5 -4.637 -9.217 -1.573 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.282 -8.578 -1.318 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.633 -9.980 -2.888 1.00 0.00 C ATOM 0 H VAL A 5 -6.845 -10.493 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.203 -10.817 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.383 -8.426 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.021 -7.932 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.325 -7.986 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.527 -9.357 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.352 -9.307 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.916 -10.799 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.628 -10.382 -3.079 1.00 0.00 H new ATOM 81 N ARG A 6 -4.557 -9.502 1.888 1.00 0.00 N ATOM 82 CA ARG A 6 -4.727 -8.745 3.119 1.00 0.00 C ATOM 83 C ARG A 6 -3.394 -8.166 3.570 1.00 0.00 C ATOM 84 O ARG A 6 -2.344 -8.763 3.334 1.00 0.00 O ATOM 85 CB ARG A 6 -5.321 -9.624 4.217 1.00 0.00 C ATOM 86 CG ARG A 6 -6.568 -10.349 3.792 1.00 0.00 C ATOM 87 CD ARG A 6 -6.936 -11.437 4.774 1.00 0.00 C ATOM 88 NE ARG A 6 -8.155 -12.147 4.385 1.00 0.00 N ATOM 89 CZ ARG A 6 -8.910 -12.850 5.233 1.00 0.00 C ATOM 90 NH1 ARG A 6 -8.548 -12.983 6.499 1.00 0.00 N ATOM 91 NH2 ARG A 6 -10.020 -13.439 4.809 1.00 0.00 N ATOM 0 H ARG A 6 -3.816 -10.202 1.922 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.419 -7.925 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.575 -10.354 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.547 -9.005 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.392 -9.640 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.419 -10.784 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.113 -12.148 4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.073 -11.000 5.763 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.445 -12.102 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.688 -12.547 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.129 -13.521 7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.300 -13.356 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.594 -13.975 5.460 1.00 0.00 H new ATOM 105 N ASP A 7 -3.444 -7.011 4.217 1.00 0.00 N ATOM 106 CA ASP A 7 -2.236 -6.312 4.653 1.00 0.00 C ATOM 107 C ASP A 7 -1.708 -6.918 5.952 1.00 0.00 C ATOM 108 O ASP A 7 -2.180 -7.968 6.391 1.00 0.00 O ATOM 109 CB ASP A 7 -2.541 -4.825 4.849 1.00 0.00 C ATOM 110 CG ASP A 7 -3.308 -4.544 6.125 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.323 -5.221 6.381 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.891 -3.645 6.881 1.00 0.00 O ATOM 0 H ASP A 7 -4.313 -6.532 4.455 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.469 -6.421 3.886 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.605 -4.266 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.117 -4.462 3.998 1.00 0.00 H new ATOM 117 N CYS A 8 -0.739 -6.252 6.574 1.00 0.00 N ATOM 118 CA CYS A 8 -0.151 -6.740 7.819 1.00 0.00 C ATOM 119 C CYS A 8 -1.184 -6.743 8.948 1.00 0.00 C ATOM 120 O CYS A 8 -1.040 -7.463 9.939 1.00 0.00 O ATOM 121 CB CYS A 8 1.044 -5.880 8.216 1.00 0.00 C ATOM 122 SG CYS A 8 0.626 -4.152 8.532 1.00 0.00 S ATOM 0 H CYS A 8 -0.344 -5.374 6.237 1.00 0.00 H new ATOM 0 HA CYS A 8 0.185 -7.764 7.652 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.503 -6.302 9.110 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.791 -5.924 7.423 1.00 0.00 H new ATOM 0 HG CYS A 8 0.236 -3.591 7.426 1.00 0.00 H new ATOM 128 N ASN A 9 -2.214 -5.917 8.793 1.00 0.00 N ATOM 129 CA ASN A 9 -3.305 -5.843 9.757 1.00 0.00 C ATOM 130 C ASN A 9 -4.216 -7.041 9.584 1.00 0.00 C ATOM 131 O ASN A 9 -4.814 -7.534 10.540 1.00 0.00 O ATOM 132 CB ASN A 9 -4.116 -4.571 9.527 1.00 0.00 C ATOM 133 CG ASN A 9 -4.803 -4.053 10.777 1.00 0.00 C ATOM 134 OD1 ASN A 9 -4.329 -4.253 11.894 1.00 0.00 O ATOM 135 ND2 ASN A 9 -5.927 -3.372 10.596 1.00 0.00 N ATOM 0 H ASN A 9 -2.315 -5.284 8.000 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.887 -5.834 10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.457 -3.795 9.137 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.869 -4.763 8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.429 -2.994 11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.289 -3.227 9.654 1.00 0.00 H new ATOM 142 N GLY A 10 -4.307 -7.501 8.347 1.00 0.00 N ATOM 143 CA GLY A 10 -5.184 -8.596 8.023 1.00 0.00 C ATOM 144 C GLY A 10 -6.443 -8.115 7.344 1.00 0.00 C ATOM 145 O GLY A 10 -7.417 -8.856 7.215 1.00 0.00 O ATOM 0 H GLY A 10 -3.781 -7.128 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.664 -9.299 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.444 -9.137 8.933 1.00 0.00 H new ATOM 149 N ALA A 11 -6.415 -6.870 6.898 1.00 0.00 N ATOM 150 CA ALA A 11 -7.560 -6.267 6.253 1.00 0.00 C ATOM 151 C ALA A 11 -7.490 -6.486 4.751 1.00 0.00 C ATOM 152 O ALA A 11 -6.423 -6.372 4.146 1.00 0.00 O ATOM 153 CB ALA A 11 -7.622 -4.786 6.583 1.00 0.00 C ATOM 0 H ALA A 11 -5.603 -6.257 6.974 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.470 -6.739 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.487 -4.340 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.709 -4.657 7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.714 -4.297 6.231 1.00 0.00 H new ATOM 159 N LEU A 12 -8.625 -6.812 4.158 1.00 0.00 N ATOM 160 CA LEU A 12 -8.685 -7.121 2.739 1.00 0.00 C ATOM 161 C LEU A 12 -8.498 -5.879 1.880 1.00 0.00 C ATOM 162 O LEU A 12 -8.983 -4.793 2.207 1.00 0.00 O ATOM 163 CB LEU A 12 -10.005 -7.815 2.409 1.00 0.00 C ATOM 164 CG LEU A 12 -10.030 -9.309 2.723 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.457 -9.821 2.806 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.262 -10.075 1.659 1.00 0.00 C ATOM 0 H LEU A 12 -9.522 -6.870 4.640 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.861 -7.797 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.806 -7.327 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.219 -7.676 1.349 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.554 -9.465 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.448 -10.888 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.989 -9.288 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.959 -9.655 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.284 -11.140 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.722 -9.905 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.228 -9.730 1.637 1.00 0.00 H new ATOM 178 N LEU A 13 -7.773 -6.051 0.789 1.00 0.00 N ATOM 179 CA LEU A 13 -7.498 -4.970 -0.140 1.00 0.00 C ATOM 180 C LEU A 13 -8.274 -5.167 -1.437 1.00 0.00 C ATOM 181 O LEU A 13 -8.967 -6.174 -1.610 1.00 0.00 O ATOM 182 CB LEU A 13 -5.997 -4.908 -0.431 1.00 0.00 C ATOM 183 CG LEU A 13 -5.119 -4.561 0.773 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.649 -4.717 0.423 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.406 -3.143 1.246 1.00 0.00 C ATOM 0 H LEU A 13 -7.358 -6.944 0.522 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.816 -4.031 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.679 -5.872 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.824 -4.169 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.354 -5.251 1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.040 -4.466 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.453 -5.748 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.398 -4.049 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.774 -2.910 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.196 -2.441 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.454 -3.061 1.535 1.00 0.00 H new ATOM 197 N ALA A 14 -8.149 -4.201 -2.338 1.00 0.00 N ATOM 198 CA ALA A 14 -8.810 -4.249 -3.634 1.00 0.00 C ATOM 199 C ALA A 14 -8.215 -3.195 -4.557 1.00 0.00 C ATOM 200 O ALA A 14 -7.392 -2.387 -4.124 1.00 0.00 O ATOM 201 CB ALA A 14 -10.307 -4.032 -3.475 1.00 0.00 C ATOM 0 H ALA A 14 -7.587 -3.363 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.652 -5.233 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.786 -4.071 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.722 -4.812 -2.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.487 -3.057 -3.021 1.00 0.00 H new ATOM 207 N ASP A 15 -8.613 -3.208 -5.822 1.00 0.00 N ATOM 208 CA ASP A 15 -8.170 -2.188 -6.768 1.00 0.00 C ATOM 209 C ASP A 15 -8.714 -0.823 -6.362 1.00 0.00 C ATOM 210 O ASP A 15 -9.929 -0.638 -6.237 1.00 0.00 O ATOM 211 CB ASP A 15 -8.619 -2.530 -8.193 1.00 0.00 C ATOM 212 CG ASP A 15 -8.307 -1.427 -9.193 1.00 0.00 C ATOM 213 OD1 ASP A 15 -7.163 -1.368 -9.697 1.00 0.00 O ATOM 214 OD2 ASP A 15 -9.214 -0.620 -9.491 1.00 0.00 O ATOM 0 H ASP A 15 -9.239 -3.910 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.081 -2.158 -6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.130 -3.451 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.692 -2.722 -8.194 1.00 0.00 H new ATOM 219 N GLY A 16 -7.812 0.116 -6.131 1.00 0.00 N ATOM 220 CA GLY A 16 -8.206 1.451 -5.736 1.00 0.00 C ATOM 221 C GLY A 16 -8.122 1.648 -4.237 1.00 0.00 C ATOM 222 O GLY A 16 -8.618 2.640 -3.703 1.00 0.00 O ATOM 0 H GLY A 16 -6.805 -0.024 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.566 2.180 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.226 1.642 -6.070 1.00 0.00 H new ATOM 226 N ASP A 17 -7.502 0.693 -3.554 1.00 0.00 N ATOM 227 CA ASP A 17 -7.351 0.765 -2.105 1.00 0.00 C ATOM 228 C ASP A 17 -6.082 1.524 -1.752 1.00 0.00 C ATOM 229 O ASP A 17 -5.308 1.894 -2.635 1.00 0.00 O ATOM 230 CB ASP A 17 -7.306 -0.629 -1.486 1.00 0.00 C ATOM 231 CG ASP A 17 -8.034 -0.687 -0.158 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.440 -0.310 0.877 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.204 -1.116 -0.138 1.00 0.00 O ATOM 0 H ASP A 17 -7.096 -0.140 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.215 1.292 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.752 -1.346 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.268 -0.928 -1.343 1.00 0.00 H new ATOM 238 N ASN A 18 -5.865 1.762 -0.473 1.00 0.00 N ATOM 239 CA ASN A 18 -4.704 2.516 -0.031 1.00 0.00 C ATOM 240 C ASN A 18 -4.087 1.910 1.216 1.00 0.00 C ATOM 241 O ASN A 18 -4.784 1.520 2.151 1.00 0.00 O ATOM 242 CB ASN A 18 -5.056 3.987 0.213 1.00 0.00 C ATOM 243 CG ASN A 18 -6.404 4.184 0.867 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.523 4.244 2.087 1.00 0.00 O ATOM 245 ND2 ASN A 18 -7.429 4.301 0.046 1.00 0.00 N ATOM 0 H ASN A 18 -6.476 1.445 0.280 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.967 2.466 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.287 4.437 0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.042 4.518 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.367 4.448 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.284 4.245 -0.962 1.00 0.00 H new ATOM 252 N VAL A 19 -2.770 1.829 1.206 1.00 0.00 N ATOM 253 CA VAL A 19 -2.018 1.297 2.327 1.00 0.00 C ATOM 254 C VAL A 19 -0.919 2.274 2.727 1.00 0.00 C ATOM 255 O VAL A 19 -0.748 3.319 2.099 1.00 0.00 O ATOM 256 CB VAL A 19 -1.388 -0.077 1.999 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.466 -1.119 1.740 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.451 0.028 0.805 1.00 0.00 C ATOM 0 H VAL A 19 -2.192 2.130 0.422 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.716 1.160 3.153 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.806 -0.394 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.999 -2.077 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.092 -1.223 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.081 -0.805 0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.020 -0.951 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.008 0.375 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.347 0.735 1.030 1.00 0.00 H new ATOM 268 N SER A 20 -0.191 1.951 3.780 1.00 0.00 N ATOM 269 CA SER A 20 0.913 2.780 4.225 1.00 0.00 C ATOM 270 C SER A 20 1.989 1.939 4.912 1.00 0.00 C ATOM 271 O SER A 20 1.694 0.903 5.503 1.00 0.00 O ATOM 272 CB SER A 20 0.392 3.894 5.138 1.00 0.00 C ATOM 273 OG SER A 20 -0.321 4.862 4.391 1.00 0.00 O ATOM 0 H SER A 20 -0.346 1.116 4.345 1.00 0.00 H new ATOM 0 HA SER A 20 1.380 3.244 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.256 3.469 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.227 4.368 5.654 1.00 0.00 H new ATOM 0 HG SER A 20 -0.453 4.537 3.476 1.00 0.00 H new ATOM 279 N LEU A 21 3.235 2.385 4.794 1.00 0.00 N ATOM 280 CA LEU A 21 4.400 1.664 5.311 1.00 0.00 C ATOM 281 C LEU A 21 4.341 1.480 6.827 1.00 0.00 C ATOM 282 O LEU A 21 4.068 2.431 7.564 1.00 0.00 O ATOM 283 CB LEU A 21 5.679 2.427 4.942 1.00 0.00 C ATOM 284 CG LEU A 21 6.284 2.112 3.568 1.00 0.00 C ATOM 285 CD1 LEU A 21 6.806 0.691 3.543 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.274 2.321 2.450 1.00 0.00 C ATOM 0 H LEU A 21 3.470 3.264 4.333 1.00 0.00 H new ATOM 0 HA LEU A 21 4.401 0.673 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.465 3.495 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.432 2.222 5.703 1.00 0.00 H new ATOM 0 HG LEU A 21 7.111 2.802 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.233 0.478 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.574 0.572 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.987 -0.001 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.739 2.088 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.417 1.666 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.942 3.359 2.449 1.00 0.00 H new ATOM 298 N ILE A 22 4.617 0.261 7.290 1.00 0.00 N ATOM 299 CA ILE A 22 4.644 -0.020 8.725 1.00 0.00 C ATOM 300 C ILE A 22 6.062 0.093 9.265 1.00 0.00 C ATOM 301 O ILE A 22 6.284 0.104 10.474 1.00 0.00 O ATOM 302 CB ILE A 22 4.110 -1.429 9.051 1.00 0.00 C ATOM 303 CG1 ILE A 22 5.048 -2.499 8.483 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.703 -1.592 8.499 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.698 -3.913 8.893 1.00 0.00 C ATOM 0 H ILE A 22 4.824 -0.543 6.697 1.00 0.00 H new ATOM 0 HA ILE A 22 3.997 0.719 9.198 1.00 0.00 H new ATOM 0 HB ILE A 22 4.072 -1.553 10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.037 -2.435 7.395 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.066 -2.281 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.333 -2.590 8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.047 -0.847 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.718 -1.456 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.411 -4.608 8.448 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.738 -3.997 9.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.693 -4.154 8.547 1.00 0.00 H new ATOM 317 N LYS A 23 7.015 0.176 8.352 1.00 0.00 N ATOM 318 CA LYS A 23 8.426 0.244 8.695 1.00 0.00 C ATOM 319 C LYS A 23 9.194 0.853 7.535 1.00 0.00 C ATOM 320 O LYS A 23 8.609 1.146 6.491 1.00 0.00 O ATOM 321 CB LYS A 23 8.972 -1.155 9.014 1.00 0.00 C ATOM 322 CG LYS A 23 8.598 -2.197 7.972 1.00 0.00 C ATOM 323 CD LYS A 23 9.338 -3.509 8.173 1.00 0.00 C ATOM 324 CE LYS A 23 10.819 -3.377 7.854 1.00 0.00 C ATOM 325 NZ LYS A 23 11.515 -4.689 7.910 1.00 0.00 N ATOM 0 H LYS A 23 6.832 0.198 7.349 1.00 0.00 H new ATOM 0 HA LYS A 23 8.548 0.867 9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.058 -1.104 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.595 -1.472 9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.524 -2.379 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.818 -1.808 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.217 -3.840 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.896 -4.276 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.940 -2.944 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.283 -2.689 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.522 -4.557 7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.422 -5.091 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.089 -5.338 7.218 1.00 0.00 H new ATOM 339 N ASP A 24 10.488 1.059 7.719 1.00 0.00 N ATOM 340 CA ASP A 24 11.325 1.588 6.643 1.00 0.00 C ATOM 341 C ASP A 24 11.761 0.454 5.715 1.00 0.00 C ATOM 342 O ASP A 24 12.286 -0.563 6.172 1.00 0.00 O ATOM 343 CB ASP A 24 12.580 2.297 7.177 1.00 0.00 C ATOM 344 CG ASP A 24 12.325 3.233 8.341 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.233 3.820 8.424 1.00 0.00 O ATOM 346 OD2 ASP A 24 13.245 3.412 9.173 1.00 0.00 O ATOM 0 H ASP A 24 10.982 0.872 8.592 1.00 0.00 H new ATOM 0 HA ASP A 24 10.723 2.318 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.304 1.543 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.035 2.863 6.365 1.00 0.00 H new ATOM 351 N LEU A 25 11.531 0.626 4.420 1.00 0.00 N ATOM 352 CA LEU A 25 11.949 -0.356 3.415 1.00 0.00 C ATOM 353 C LEU A 25 12.835 0.325 2.379 1.00 0.00 C ATOM 354 O LEU A 25 12.690 1.518 2.126 1.00 0.00 O ATOM 355 CB LEU A 25 10.740 -0.992 2.701 1.00 0.00 C ATOM 356 CG LEU A 25 9.957 -2.075 3.465 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.844 -3.247 3.838 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.296 -1.510 4.702 1.00 0.00 C ATOM 0 H LEU A 25 11.054 1.441 4.034 1.00 0.00 H new ATOM 0 HA LEU A 25 12.497 -1.146 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.045 -0.194 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.092 -1.427 1.765 1.00 0.00 H new ATOM 0 HG LEU A 25 9.179 -2.436 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.257 -3.991 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.255 -3.694 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.658 -2.899 4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.752 -2.301 5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.057 -1.101 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.602 -0.720 4.415 1.00 0.00 H new ATOM 511 N LYS A 35 10.554 5.359 4.159 1.00 0.00 N ATOM 512 CA LYS A 35 10.455 5.358 5.604 1.00 0.00 C ATOM 513 C LYS A 35 9.068 4.944 6.048 1.00 0.00 C ATOM 514 O LYS A 35 8.106 4.998 5.278 1.00 0.00 O ATOM 515 CB LYS A 35 10.781 6.743 6.161 1.00 0.00 C ATOM 516 CG LYS A 35 12.270 7.048 6.234 1.00 0.00 C ATOM 517 CD LYS A 35 12.931 6.357 7.416 1.00 0.00 C ATOM 518 CE LYS A 35 12.264 6.726 8.735 1.00 0.00 C ATOM 519 NZ LYS A 35 12.882 6.013 9.881 1.00 0.00 N ATOM 0 HA LYS A 35 11.176 4.638 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.297 7.496 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.353 6.831 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.752 6.728 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.417 8.125 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.887 5.277 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.985 6.631 7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.339 7.802 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.202 6.485 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.153 5.801 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.309 5.125 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.617 6.612 10.307 1.00 0.00 H new ATOM 533 N ARG A 36 8.986 4.524 7.289 1.00 0.00 N ATOM 534 CA ARG A 36 7.731 4.176 7.911 1.00 0.00 C ATOM 535 C ARG A 36 6.753 5.340 7.844 1.00 0.00 C ATOM 536 O ARG A 36 7.106 6.478 8.156 1.00 0.00 O ATOM 537 CB ARG A 36 7.979 3.790 9.361 1.00 0.00 C ATOM 538 CG ARG A 36 6.720 3.422 10.108 1.00 0.00 C ATOM 539 CD ARG A 36 7.032 2.959 11.509 1.00 0.00 C ATOM 540 NE ARG A 36 5.810 2.698 12.262 1.00 0.00 N ATOM 541 CZ ARG A 36 5.579 3.167 13.484 1.00 0.00 C ATOM 542 NH1 ARG A 36 6.503 3.891 14.103 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.419 2.925 14.082 1.00 0.00 N ATOM 0 H ARG A 36 9.795 4.414 7.900 1.00 0.00 H new ATOM 0 HA ARG A 36 7.294 3.333 7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.670 2.948 9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.466 4.621 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.053 4.283 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.193 2.634 9.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.638 2.054 11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.624 3.717 12.022 1.00 0.00 H new ATOM 0 HE ARG A 36 5.091 2.122 11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.391 4.088 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.325 4.251 15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.703 2.378 13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.244 3.286 15.020 1.00 0.00 H new ATOM 557 N GLY A 37 5.528 5.053 7.439 1.00 0.00 N ATOM 558 CA GLY A 37 4.527 6.091 7.333 1.00 0.00 C ATOM 559 C GLY A 37 4.282 6.524 5.902 1.00 0.00 C ATOM 560 O GLY A 37 3.327 7.249 5.633 1.00 0.00 O ATOM 0 H GLY A 37 5.208 4.119 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.592 5.734 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.841 6.954 7.921 1.00 0.00 H new ATOM 564 N THR A 38 5.145 6.094 4.985 1.00 0.00 N ATOM 565 CA THR A 38 4.958 6.399 3.569 1.00 0.00 C ATOM 566 C THR A 38 3.625 5.845 3.088 1.00 0.00 C ATOM 567 O THR A 38 3.339 4.662 3.263 1.00 0.00 O ATOM 568 CB THR A 38 6.091 5.812 2.701 1.00 0.00 C ATOM 569 OG1 THR A 38 7.360 6.288 3.169 1.00 0.00 O ATOM 570 CG2 THR A 38 5.914 6.201 1.240 1.00 0.00 C ATOM 0 H THR A 38 5.974 5.538 5.194 1.00 0.00 H new ATOM 0 HA THR A 38 4.974 7.484 3.465 1.00 0.00 H new ATOM 0 HB THR A 38 6.052 4.726 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.799 5.586 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.725 5.775 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.960 5.820 0.875 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.930 7.287 1.148 1.00 0.00 H new ATOM 578 N MET A 39 2.805 6.698 2.504 1.00 0.00 N ATOM 579 CA MET A 39 1.497 6.279 2.060 1.00 0.00 C ATOM 580 C MET A 39 1.540 5.792 0.626 1.00 0.00 C ATOM 581 O MET A 39 1.960 6.515 -0.279 1.00 0.00 O ATOM 582 CB MET A 39 0.479 7.409 2.195 1.00 0.00 C ATOM 583 CG MET A 39 -0.932 6.964 1.857 1.00 0.00 C ATOM 584 SD MET A 39 -2.189 8.086 2.486 1.00 0.00 S ATOM 585 CE MET A 39 -3.502 6.910 2.797 1.00 0.00 C ATOM 0 H MET A 39 3.023 7.679 2.328 1.00 0.00 H new ATOM 0 HA MET A 39 1.185 5.454 2.701 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.501 7.793 3.215 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.764 8.231 1.538 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.033 6.884 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.102 5.969 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.309 7.401 3.340 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.882 6.529 1.849 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.116 6.082 3.392 1.00 0.00 H new ATOM 595 N ILE A 40 1.115 4.559 0.439 1.00 0.00 N ATOM 596 CA ILE A 40 0.968 3.998 -0.889 1.00 0.00 C ATOM 597 C ILE A 40 -0.513 3.791 -1.182 1.00 0.00 C ATOM 598 O ILE A 40 -1.095 2.756 -0.851 1.00 0.00 O ATOM 599 CB ILE A 40 1.738 2.666 -1.054 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.231 2.880 -0.786 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.525 2.089 -2.448 1.00 0.00 C ATOM 602 CD1 ILE A 40 4.074 1.635 -0.980 1.00 0.00 C ATOM 0 H ILE A 40 0.864 3.922 1.195 1.00 0.00 H new ATOM 0 HA ILE A 40 1.398 4.702 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 40 1.351 1.952 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.600 3.664 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.359 3.238 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.075 1.153 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.463 1.903 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.885 2.798 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.119 1.867 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.733 0.855 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.978 1.287 -2.008 1.00 0.00 H new ATOM 614 N ARG A 41 -1.132 4.804 -1.758 1.00 0.00 N ATOM 615 CA ARG A 41 -2.546 4.747 -2.079 1.00 0.00 C ATOM 616 C ARG A 41 -2.737 4.462 -3.560 1.00 0.00 C ATOM 617 O ARG A 41 -1.864 4.757 -4.373 1.00 0.00 O ATOM 618 CB ARG A 41 -3.248 6.051 -1.687 1.00 0.00 C ATOM 619 CG ARG A 41 -2.478 7.301 -2.077 1.00 0.00 C ATOM 620 CD ARG A 41 -3.409 8.467 -2.365 1.00 0.00 C ATOM 621 NE ARG A 41 -4.355 8.158 -3.438 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.618 8.973 -4.463 1.00 0.00 C ATOM 623 NH1 ARG A 41 -3.954 10.115 -4.607 1.00 0.00 N ATOM 624 NH2 ARG A 41 -5.533 8.628 -5.360 1.00 0.00 N ATOM 0 H ARG A 41 -0.676 5.680 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.996 3.937 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.231 6.079 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.410 6.056 -0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.793 7.572 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.870 7.094 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.959 8.725 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.820 9.342 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.844 7.264 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.236 10.376 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.162 10.730 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.032 7.744 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.737 9.247 -6.144 1.00 0.00 H new ATOM 638 N GLY A 42 -3.870 3.877 -3.903 1.00 0.00 N ATOM 639 CA GLY A 42 -4.123 3.520 -5.280 1.00 0.00 C ATOM 640 C GLY A 42 -3.464 2.206 -5.637 1.00 0.00 C ATOM 641 O GLY A 42 -2.813 2.090 -6.677 1.00 0.00 O ATOM 0 H GLY A 42 -4.620 3.642 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.198 3.448 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.750 4.306 -5.936 1.00 0.00 H new ATOM 645 N ILE A 43 -3.623 1.223 -4.763 1.00 0.00 N ATOM 646 CA ILE A 43 -3.056 -0.091 -4.986 1.00 0.00 C ATOM 647 C ILE A 43 -4.088 -0.990 -5.637 1.00 0.00 C ATOM 648 O ILE A 43 -5.286 -0.708 -5.593 1.00 0.00 O ATOM 649 CB ILE A 43 -2.537 -0.741 -3.670 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.678 -1.090 -2.703 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.550 0.181 -2.980 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.219 -2.497 -2.858 1.00 0.00 C ATOM 0 H ILE A 43 -4.143 1.315 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.198 0.029 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.041 -1.671 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.324 -0.960 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.493 -0.382 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.196 -0.287 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.704 0.369 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.040 1.125 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.021 -2.660 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.606 -2.629 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.419 -3.216 -2.680 1.00 0.00 H new ATOM 664 N ARG A 44 -3.623 -2.051 -6.251 1.00 0.00 N ATOM 665 CA ARG A 44 -4.509 -3.028 -6.851 1.00 0.00 C ATOM 666 C ARG A 44 -3.996 -4.434 -6.592 1.00 0.00 C ATOM 667 O ARG A 44 -2.812 -4.626 -6.303 1.00 0.00 O ATOM 668 CB ARG A 44 -4.655 -2.769 -8.349 1.00 0.00 C ATOM 669 CG ARG A 44 -3.333 -2.631 -9.083 1.00 0.00 C ATOM 670 CD ARG A 44 -3.557 -2.395 -10.568 1.00 0.00 C ATOM 671 NE ARG A 44 -2.311 -2.430 -11.331 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.226 -2.843 -12.592 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.315 -3.244 -13.239 1.00 0.00 N ATOM 674 NH2 ARG A 44 -1.051 -2.853 -13.205 1.00 0.00 N ATOM 0 H ARG A 44 -2.630 -2.264 -6.350 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.494 -2.934 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.223 -3.585 -8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.237 -1.859 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.763 -1.803 -8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.738 -3.533 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.238 -3.153 -10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.041 -1.429 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.456 -2.119 -10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.220 -3.236 -12.768 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.246 -3.560 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.215 -2.544 -12.709 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.983 -3.169 -14.172 1.00 0.00 H new ATOM 688 N LEU A 45 -4.888 -5.408 -6.694 1.00 0.00 N ATOM 689 CA LEU A 45 -4.544 -6.788 -6.397 1.00 0.00 C ATOM 690 C LEU A 45 -3.795 -7.404 -7.567 1.00 0.00 C ATOM 691 O LEU A 45 -4.186 -7.238 -8.724 1.00 0.00 O ATOM 692 CB LEU A 45 -5.803 -7.606 -6.094 1.00 0.00 C ATOM 693 CG LEU A 45 -6.709 -7.032 -5.002 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.876 -7.968 -4.727 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.925 -6.768 -3.728 1.00 0.00 C ATOM 0 H LEU A 45 -5.857 -5.267 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.902 -6.800 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.384 -7.702 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.501 -8.612 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.106 -6.081 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.508 -7.542 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.460 -8.098 -5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.497 -8.935 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.592 -6.361 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.491 -7.701 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.128 -6.053 -3.933 1.00 0.00 H new ATOM 707 N THR A 46 -2.717 -8.103 -7.264 1.00 0.00 N ATOM 708 CA THR A 46 -1.922 -8.745 -8.291 1.00 0.00 C ATOM 709 C THR A 46 -2.368 -10.192 -8.460 1.00 0.00 C ATOM 710 O THR A 46 -3.495 -10.546 -8.116 1.00 0.00 O ATOM 711 CB THR A 46 -0.420 -8.704 -7.940 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.177 -9.407 -6.713 1.00 0.00 O ATOM 713 CG2 THR A 46 0.069 -7.269 -7.816 1.00 0.00 C ATOM 0 H THR A 46 -2.373 -8.240 -6.314 1.00 0.00 H new ATOM 0 HA THR A 46 -2.071 -8.202 -9.224 1.00 0.00 H new ATOM 0 HB THR A 46 0.129 -9.190 -8.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.375 -8.819 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.130 -7.266 -7.568 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.084 -6.749 -8.762 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.489 -6.761 -7.029 1.00 0.00 H new ATOM 721 N ASP A 47 -1.491 -11.022 -9.001 1.00 0.00 N ATOM 722 CA ASP A 47 -1.761 -12.448 -9.103 1.00 0.00 C ATOM 723 C ASP A 47 -1.392 -13.122 -7.791 1.00 0.00 C ATOM 724 O ASP A 47 -1.650 -14.306 -7.582 1.00 0.00 O ATOM 725 CB ASP A 47 -0.962 -13.068 -10.253 1.00 0.00 C ATOM 726 CG ASP A 47 -1.204 -12.364 -11.573 1.00 0.00 C ATOM 727 OD1 ASP A 47 -2.153 -12.740 -12.292 1.00 0.00 O ATOM 728 OD2 ASP A 47 -0.440 -11.431 -11.900 1.00 0.00 O ATOM 0 H ASP A 47 -0.587 -10.734 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.822 -12.595 -9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.101 -13.031 -10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.230 -14.120 -10.351 1.00 0.00 H new ATOM 733 N SER A 48 -0.786 -12.341 -6.911 1.00 0.00 N ATOM 734 CA SER A 48 -0.317 -12.815 -5.630 1.00 0.00 C ATOM 735 C SER A 48 -1.263 -12.387 -4.511 1.00 0.00 C ATOM 736 O SER A 48 -1.915 -11.348 -4.605 1.00 0.00 O ATOM 737 CB SER A 48 1.074 -12.243 -5.399 1.00 0.00 C ATOM 738 OG SER A 48 1.984 -12.730 -6.375 1.00 0.00 O ATOM 0 H SER A 48 -0.607 -11.350 -7.073 1.00 0.00 H new ATOM 0 HA SER A 48 -0.283 -13.904 -5.628 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.037 -11.154 -5.440 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.423 -12.513 -4.402 1.00 0.00 H new ATOM 0 HG SER A 48 2.873 -12.350 -6.212 1.00 0.00 H new ATOM 744 N GLU A 49 -1.330 -13.191 -3.457 1.00 0.00 N ATOM 745 CA GLU A 49 -2.181 -12.888 -2.310 1.00 0.00 C ATOM 746 C GLU A 49 -1.425 -12.024 -1.319 1.00 0.00 C ATOM 747 O GLU A 49 -2.012 -11.275 -0.543 1.00 0.00 O ATOM 748 CB GLU A 49 -2.598 -14.169 -1.595 1.00 0.00 C ATOM 749 CG GLU A 49 -3.004 -15.296 -2.519 1.00 0.00 C ATOM 750 CD GLU A 49 -3.242 -16.581 -1.761 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.273 -17.342 -1.562 1.00 0.00 O ATOM 752 OE2 GLU A 49 -4.390 -16.826 -1.344 1.00 0.00 O ATOM 0 H GLU A 49 -0.804 -14.061 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.064 -12.366 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.772 -14.507 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.430 -13.944 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.910 -15.017 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.226 -15.453 -3.266 1.00 0.00 H new ATOM 759 N ASP A 50 -0.112 -12.158 -1.344 1.00 0.00 N ATOM 760 CA ASP A 50 0.748 -11.481 -0.390 1.00 0.00 C ATOM 761 C ASP A 50 1.321 -10.209 -0.992 1.00 0.00 C ATOM 762 O ASP A 50 1.965 -9.419 -0.305 1.00 0.00 O ATOM 763 CB ASP A 50 1.888 -12.407 0.039 1.00 0.00 C ATOM 764 CG ASP A 50 1.407 -13.671 0.728 1.00 0.00 C ATOM 765 OD1 ASP A 50 1.135 -14.673 0.021 1.00 0.00 O ATOM 766 OD2 ASP A 50 1.325 -13.681 1.972 1.00 0.00 O ATOM 0 H ASP A 50 0.386 -12.735 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 50 0.150 -11.217 0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.475 -12.680 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.553 -11.865 0.711 1.00 0.00 H new ATOM 771 N GLU A 51 1.071 -10.005 -2.277 1.00 0.00 N ATOM 772 CA GLU A 51 1.633 -8.871 -2.995 1.00 0.00 C ATOM 773 C GLU A 51 0.548 -8.036 -3.654 1.00 0.00 C ATOM 774 O GLU A 51 -0.461 -8.558 -4.130 1.00 0.00 O ATOM 775 CB GLU A 51 2.612 -9.323 -4.080 1.00 0.00 C ATOM 776 CG GLU A 51 4.010 -9.684 -3.589 1.00 0.00 C ATOM 777 CD GLU A 51 4.077 -10.995 -2.831 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.612 -12.023 -3.363 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.644 -11.012 -1.724 1.00 0.00 O ATOM 0 H GLU A 51 0.481 -10.612 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 51 2.159 -8.271 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.189 -10.189 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.699 -8.528 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.683 -9.736 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.376 -8.884 -2.945 1.00 0.00 H new ATOM 786 N ILE A 52 0.778 -6.742 -3.687 1.00 0.00 N ATOM 787 CA ILE A 52 -0.082 -5.813 -4.396 1.00 0.00 C ATOM 788 C ILE A 52 0.768 -4.867 -5.226 1.00 0.00 C ATOM 789 O ILE A 52 1.980 -4.814 -5.057 1.00 0.00 O ATOM 790 CB ILE A 52 -0.976 -4.993 -3.435 1.00 0.00 C ATOM 791 CG1 ILE A 52 -0.150 -4.374 -2.297 1.00 0.00 C ATOM 792 CG2 ILE A 52 -2.091 -5.857 -2.876 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.422 -3.009 -2.622 1.00 0.00 C ATOM 0 H ILE A 52 1.570 -6.300 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.739 -6.399 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.421 -4.178 -4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.778 -4.292 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.668 -5.049 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.709 -5.263 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.705 -6.233 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.662 -6.696 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.991 -2.640 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.078 -3.086 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.391 -2.317 -2.842 1.00 0.00 H new ATOM 805 N GLU A 53 0.146 -4.134 -6.119 1.00 0.00 N ATOM 806 CA GLU A 53 0.858 -3.138 -6.891 1.00 0.00 C ATOM 807 C GLU A 53 0.249 -1.774 -6.624 1.00 0.00 C ATOM 808 O GLU A 53 -0.962 -1.603 -6.725 1.00 0.00 O ATOM 809 CB GLU A 53 0.785 -3.470 -8.375 1.00 0.00 C ATOM 810 CG GLU A 53 1.612 -2.537 -9.248 1.00 0.00 C ATOM 811 CD GLU A 53 1.332 -2.709 -10.727 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.913 -3.620 -11.351 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.535 -1.921 -11.276 1.00 0.00 O ATOM 0 H GLU A 53 -0.849 -4.207 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 53 1.907 -3.130 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.126 -4.494 -8.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.255 -3.429 -8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.408 -1.505 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.671 -2.716 -9.061 1.00 0.00 H new ATOM 820 N GLY A 54 1.085 -0.815 -6.275 1.00 0.00 N ATOM 821 CA GLY A 54 0.590 0.499 -5.941 1.00 0.00 C ATOM 822 C GLY A 54 1.462 1.599 -6.497 1.00 0.00 C ATOM 823 O GLY A 54 2.230 1.377 -7.431 1.00 0.00 O ATOM 0 H GLY A 54 2.098 -0.922 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.423 0.612 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.531 0.598 -4.857 1.00 0.00 H new ATOM 827 N ARG A 55 1.360 2.785 -5.922 1.00 0.00 N ATOM 828 CA ARG A 55 2.091 3.936 -6.418 1.00 0.00 C ATOM 829 C ARG A 55 2.564 4.801 -5.256 1.00 0.00 C ATOM 830 O ARG A 55 1.931 4.841 -4.201 1.00 0.00 O ATOM 831 CB ARG A 55 1.192 4.756 -7.347 1.00 0.00 C ATOM 832 CG ARG A 55 0.131 5.558 -6.612 1.00 0.00 C ATOM 833 CD ARG A 55 -1.025 5.924 -7.520 1.00 0.00 C ATOM 834 NE ARG A 55 -1.866 4.767 -7.824 1.00 0.00 N ATOM 835 CZ ARG A 55 -2.906 4.793 -8.654 1.00 0.00 C ATOM 836 NH1 ARG A 55 -3.227 5.912 -9.293 1.00 0.00 N ATOM 837 NH2 ARG A 55 -3.628 3.695 -8.837 1.00 0.00 N ATOM 0 H ARG A 55 0.775 2.975 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 55 2.963 3.590 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.811 5.437 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.704 4.084 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.240 4.980 -5.765 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.577 6.466 -6.207 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.629 6.697 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.639 6.346 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.641 3.882 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.675 6.758 -9.149 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.025 5.926 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.385 2.837 -8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.426 3.709 -9.472 1.00 0.00 H new ATOM 918 N LYS A 60 5.681 5.087 -9.359 1.00 0.00 N ATOM 919 CA LYS A 60 4.296 4.706 -9.561 1.00 0.00 C ATOM 920 C LYS A 60 4.226 3.366 -10.281 1.00 0.00 C ATOM 921 O LYS A 60 4.961 3.125 -11.241 1.00 0.00 O ATOM 922 CB LYS A 60 3.538 5.783 -10.344 1.00 0.00 C ATOM 923 CG LYS A 60 4.056 5.998 -11.754 1.00 0.00 C ATOM 924 CD LYS A 60 3.220 7.015 -12.518 1.00 0.00 C ATOM 925 CE LYS A 60 1.773 6.568 -12.652 1.00 0.00 C ATOM 926 NZ LYS A 60 0.970 7.518 -13.465 1.00 0.00 N ATOM 0 HA LYS A 60 3.818 4.607 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.484 5.509 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.598 6.725 -9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.091 6.337 -11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.053 5.049 -12.290 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.258 7.976 -12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.647 7.166 -13.509 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.740 5.580 -13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.329 6.474 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.010 7.176 -13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.980 8.455 -13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.377 7.589 -14.419 1.00 0.00 H new ATOM 940 N GLY A 61 3.369 2.485 -9.790 1.00 0.00 N ATOM 941 CA GLY A 61 3.212 1.186 -10.404 1.00 0.00 C ATOM 942 C GLY A 61 4.304 0.221 -9.998 1.00 0.00 C ATOM 943 O GLY A 61 4.954 -0.386 -10.853 1.00 0.00 O ATOM 0 H GLY A 61 2.778 2.648 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.243 0.771 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.213 1.297 -11.488 1.00 0.00 H new ATOM 947 N LEU A 62 4.517 0.078 -8.699 1.00 0.00 N ATOM 948 CA LEU A 62 5.501 -0.862 -8.202 1.00 0.00 C ATOM 949 C LEU A 62 4.804 -1.972 -7.424 1.00 0.00 C ATOM 950 O LEU A 62 3.876 -1.715 -6.652 1.00 0.00 O ATOM 951 CB LEU A 62 6.568 -0.166 -7.336 1.00 0.00 C ATOM 952 CG LEU A 62 6.176 0.182 -5.894 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.405 0.618 -5.114 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.121 1.280 -5.850 1.00 0.00 C ATOM 0 H LEU A 62 4.023 0.600 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 62 6.020 -1.298 -9.056 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.448 -0.808 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.864 0.755 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 62 5.750 -0.712 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.119 0.863 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.135 -0.192 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.845 1.496 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.868 1.500 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.511 2.179 -6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.228 0.948 -6.379 1.00 0.00 H new ATOM 966 N VAL A 63 5.237 -3.201 -7.649 1.00 0.00 N ATOM 967 CA VAL A 63 4.630 -4.355 -7.004 1.00 0.00 C ATOM 968 C VAL A 63 5.358 -4.666 -5.708 1.00 0.00 C ATOM 969 O VAL A 63 6.567 -4.913 -5.709 1.00 0.00 O ATOM 970 CB VAL A 63 4.661 -5.604 -7.912 1.00 0.00 C ATOM 971 CG1 VAL A 63 3.920 -6.765 -7.264 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.070 -5.290 -9.276 1.00 0.00 C ATOM 0 H VAL A 63 6.009 -3.427 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 63 3.589 -4.105 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 63 5.702 -5.898 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.956 -7.633 -7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.391 -7.012 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.881 -6.483 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.101 -6.183 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.036 -4.965 -9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.648 -4.496 -9.749 1.00 0.00 H new ATOM 982 N LEU A 64 4.628 -4.646 -4.611 1.00 0.00 N ATOM 983 CA LEU A 64 5.216 -4.905 -3.306 1.00 0.00 C ATOM 984 C LEU A 64 4.364 -5.840 -2.478 1.00 0.00 C ATOM 985 O LEU A 64 3.135 -5.806 -2.539 1.00 0.00 O ATOM 986 CB LEU A 64 5.438 -3.604 -2.532 1.00 0.00 C ATOM 987 CG LEU A 64 6.700 -2.843 -2.923 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.686 -1.442 -2.335 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.928 -3.616 -2.458 1.00 0.00 C ATOM 0 H LEU A 64 3.626 -4.453 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 64 6.178 -5.384 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.576 -2.954 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.482 -3.833 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 64 6.735 -2.746 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.595 -0.916 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.818 -0.899 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.635 -1.504 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.829 -3.070 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.896 -3.732 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.938 -4.599 -2.928 1.00 0.00 H new ATOM 1001 N ARG A 65 5.035 -6.689 -1.720 1.00 0.00 N ATOM 1002 CA ARG A 65 4.376 -7.516 -0.733 1.00 0.00 C ATOM 1003 C ARG A 65 3.687 -6.633 0.299 1.00 0.00 C ATOM 1004 O ARG A 65 4.292 -5.722 0.865 1.00 0.00 O ATOM 1005 CB ARG A 65 5.392 -8.437 -0.059 1.00 0.00 C ATOM 1006 CG ARG A 65 6.694 -7.743 0.292 1.00 0.00 C ATOM 1007 CD ARG A 65 7.602 -8.633 1.128 1.00 0.00 C ATOM 1008 NE ARG A 65 8.187 -9.724 0.344 1.00 0.00 N ATOM 1009 CZ ARG A 65 8.624 -10.875 0.864 1.00 0.00 C ATOM 1010 NH1 ARG A 65 8.417 -11.165 2.141 1.00 0.00 N ATOM 1011 NH2 ARG A 65 9.239 -11.760 0.095 1.00 0.00 N ATOM 0 H ARG A 65 6.045 -6.822 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 65 3.624 -8.134 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.952 -8.848 0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.604 -9.278 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.210 -7.455 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.480 -6.825 0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.401 -8.030 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.033 -9.050 1.959 1.00 0.00 H new ATOM 0 HE ARG A 65 8.266 -9.597 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.919 -10.506 2.739 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.756 -12.047 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.380 -11.564 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.572 -12.638 0.494 1.00 0.00 H new ATOM 1025 N THR A 66 2.428 -6.919 0.556 1.00 0.00 N ATOM 1026 CA THR A 66 1.617 -6.083 1.418 1.00 0.00 C ATOM 1027 C THR A 66 1.750 -6.520 2.877 1.00 0.00 C ATOM 1028 O THR A 66 0.913 -6.194 3.720 1.00 0.00 O ATOM 1029 CB THR A 66 0.136 -6.113 0.970 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.644 -5.207 1.758 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.442 -7.518 1.073 1.00 0.00 C ATOM 0 H THR A 66 1.940 -7.731 0.177 1.00 0.00 H new ATOM 0 HA THR A 66 1.978 -5.058 1.337 1.00 0.00 H new ATOM 0 HB THR A 66 0.098 -5.802 -0.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.266 -5.149 2.660 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.484 -7.507 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.128 -8.194 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.385 -7.860 2.106 1.00 0.00 H new ATOM 1039 N GLU A 67 2.845 -7.204 3.186 1.00 0.00 N ATOM 1040 CA GLU A 67 3.048 -7.733 4.526 1.00 0.00 C ATOM 1041 C GLU A 67 3.789 -6.724 5.381 1.00 0.00 C ATOM 1042 O GLU A 67 3.905 -6.878 6.596 1.00 0.00 O ATOM 1043 CB GLU A 67 3.790 -9.068 4.473 1.00 0.00 C ATOM 1044 CG GLU A 67 4.795 -9.156 3.340 1.00 0.00 C ATOM 1045 CD GLU A 67 5.463 -10.511 3.263 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.442 -10.737 3.999 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.016 -11.354 2.462 1.00 0.00 O ATOM 0 H GLU A 67 3.601 -7.404 2.531 1.00 0.00 H new ATOM 0 HA GLU A 67 2.075 -7.914 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.307 -9.225 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.064 -9.874 4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.292 -8.948 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.555 -8.386 3.472 1.00 0.00 H new ATOM 1054 N PHE A 68 4.282 -5.678 4.734 1.00 0.00 N ATOM 1055 CA PHE A 68 4.880 -4.564 5.440 1.00 0.00 C ATOM 1056 C PHE A 68 4.068 -3.307 5.176 1.00 0.00 C ATOM 1057 O PHE A 68 4.518 -2.185 5.425 1.00 0.00 O ATOM 1058 CB PHE A 68 6.351 -4.380 5.042 1.00 0.00 C ATOM 1059 CG PHE A 68 6.599 -4.061 3.591 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.406 -2.782 3.099 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.050 -5.042 2.726 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.658 -2.486 1.775 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.301 -4.752 1.400 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.104 -3.473 0.924 1.00 0.00 C ATOM 0 H PHE A 68 4.278 -5.581 3.719 1.00 0.00 H new ATOM 0 HA PHE A 68 4.867 -4.771 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.775 -3.580 5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.893 -5.292 5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.053 -2.005 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.207 -6.046 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.506 -1.482 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.652 -5.527 0.735 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.299 -3.246 -0.114 1.00 0.00 H new ATOM 1074 N LEU A 69 2.850 -3.511 4.695 1.00 0.00 N ATOM 1075 CA LEU A 69 1.964 -2.407 4.387 1.00 0.00 C ATOM 1076 C LEU A 69 0.738 -2.489 5.269 1.00 0.00 C ATOM 1077 O LEU A 69 0.289 -3.577 5.628 1.00 0.00 O ATOM 1078 CB LEU A 69 1.553 -2.427 2.914 1.00 0.00 C ATOM 1079 CG LEU A 69 2.703 -2.394 1.904 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.179 -2.589 0.491 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.463 -1.082 1.998 1.00 0.00 C ATOM 0 H LEU A 69 2.456 -4.434 4.511 1.00 0.00 H new ATOM 0 HA LEU A 69 2.491 -1.472 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.961 -3.324 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.903 -1.572 2.725 1.00 0.00 H new ATOM 0 HG LEU A 69 3.385 -3.211 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.011 -2.562 -0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.674 -3.552 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.475 -1.792 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.276 -1.080 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.786 -0.254 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.873 -0.970 3.002 1.00 0.00 H new ATOM 1093 N LYS A 70 0.219 -1.339 5.629 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.932 -1.262 6.498 1.00 0.00 C ATOM 1095 C LYS A 70 -2.084 -0.584 5.776 1.00 0.00 C ATOM 1096 O LYS A 70 -1.932 0.527 5.276 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.574 -0.488 7.767 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.113 -1.131 9.030 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.630 -1.167 9.039 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.218 0.128 9.565 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.698 0.128 9.490 1.00 0.00 N ATOM 0 H LYS A 70 0.581 -0.434 5.329 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.238 -2.271 6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.510 -0.408 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.964 0.527 7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.725 -2.146 9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.757 -0.579 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.996 -1.349 8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.971 -1.999 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.906 0.276 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.824 0.966 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.077 0.877 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.996 0.302 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.062 -0.794 9.804 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.223 -1.255 5.723 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.392 -0.723 5.034 1.00 0.00 C ATOM 1117 C LYS A 71 -4.845 0.573 5.690 1.00 0.00 C ATOM 1118 O LYS A 71 -5.164 0.596 6.881 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.540 -1.734 5.047 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.768 -1.265 4.284 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.980 -2.119 4.608 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.192 -1.706 3.794 1.00 0.00 C ATOM 1123 NZ LYS A 71 -9.036 -2.044 2.360 1.00 0.00 N ATOM 0 H LYS A 71 -3.365 -2.171 6.149 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.113 -0.525 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.192 -2.673 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.820 -1.940 6.080 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.977 -0.224 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.570 -1.303 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.750 -3.166 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.210 -2.036 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.080 -2.200 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.351 -0.633 3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.837 -1.656 1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.149 -1.636 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.012 -3.078 2.248 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.869 1.645 4.919 1.00 0.00 N ATOM 1138 CA ALA A 72 -5.267 2.937 5.437 1.00 0.00 C ATOM 1139 C ALA A 72 -6.784 3.009 5.546 1.00 0.00 C ATOM 1140 O ALA A 72 -7.501 2.518 4.672 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.725 4.053 4.560 1.00 0.00 C ATOM 0 H ALA A 72 -4.617 1.644 3.931 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.846 3.065 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.034 5.017 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.636 4.002 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.115 3.943 3.548 1.00 0.00 H new