USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -0.764 K(o=-14,f=-22!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.79! C(o=-14!,f=-13!) USER MOD Set 1.3: A 55 GLN : amide:sc= -9.52! C(o=-14!,f=-12!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.51 K(o=-1.9,f=-1.2) USER MOD Set 2.2: A 43 ASN : amide:sc= -1.35 K(o=-1.9,f=-0.21) USER MOD Set 3.1: A 21 ASN : amide:sc= -3.69 K(o=-6.5,f=-2) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.81 K(o=-6.5,f=-9.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc=-0.00476 K(o=-0.0048,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 174:sc= -10.4! (180deg=-11.1!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.407 K(o=-0.41,f=-7.8!) USER MOD Single : A 33 SER OG : rot 65:sc= 0.802 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 130:sc= -1.76 USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= -1.87! (180deg=-3.02!) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -1.55 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.203 -13.302 8.660 1.00 0.00 N ATOM 46 CA LYS A 4 0.893 -12.771 7.847 1.00 0.00 C ATOM 47 C LYS A 4 0.541 -11.387 7.320 1.00 0.00 C ATOM 48 O LYS A 4 1.287 -10.798 6.535 1.00 0.00 O ATOM 49 CB LYS A 4 1.194 -13.704 6.669 1.00 0.00 C ATOM 50 CG LYS A 4 1.575 -15.098 7.187 1.00 0.00 C ATOM 51 CD LYS A 4 1.981 -15.994 6.009 1.00 0.00 C ATOM 52 CE LYS A 4 2.256 -17.416 6.510 1.00 0.00 C ATOM 53 NZ LYS A 4 2.658 -18.277 5.362 1.00 0.00 N ATOM 0 HA LYS A 4 1.778 -12.701 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.322 -13.775 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.007 -13.295 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.398 -15.020 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.734 -15.541 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.188 -16.009 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.870 -15.591 5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.045 -17.402 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.366 -17.823 6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.845 -19.242 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.892 -18.299 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.519 -17.891 4.923 1.00 0.00 H new ATOM 67 N PHE A 5 -0.611 -10.890 7.750 1.00 0.00 N ATOM 68 CA PHE A 5 -1.097 -9.593 7.322 1.00 0.00 C ATOM 69 C PHE A 5 -0.132 -8.471 7.631 1.00 0.00 C ATOM 70 O PHE A 5 0.251 -7.724 6.744 1.00 0.00 O ATOM 71 CB PHE A 5 -2.361 -9.257 8.097 1.00 0.00 C ATOM 72 CG PHE A 5 -3.583 -9.837 7.446 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.618 -11.189 7.075 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.694 -9.014 7.223 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.775 -11.709 6.475 1.00 0.00 C ATOM 76 CE2 PHE A 5 -5.841 -9.531 6.627 1.00 0.00 C ATOM 77 CZ PHE A 5 -5.885 -10.874 6.252 1.00 0.00 C ATOM 0 H PHE A 5 -1.229 -11.374 8.401 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.249 -9.666 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.276 -9.638 9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.466 -8.175 8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.762 -11.824 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.661 -7.975 7.514 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.813 -12.749 6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.696 -8.893 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.775 -11.274 5.789 1.00 0.00 H new ATOM 87 N ASN A 6 0.210 -8.326 8.908 1.00 0.00 N ATOM 88 CA ASN A 6 1.069 -7.231 9.317 1.00 0.00 C ATOM 89 C ASN A 6 2.392 -7.248 8.592 1.00 0.00 C ATOM 90 O ASN A 6 2.794 -6.234 8.056 1.00 0.00 O ATOM 91 CB ASN A 6 1.321 -7.295 10.819 1.00 0.00 C ATOM 92 CG ASN A 6 0.032 -7.038 11.602 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.967 -6.584 11.041 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.003 -7.296 12.880 1.00 0.00 N ATOM 0 H ASN A 6 -0.091 -8.944 9.662 1.00 0.00 H new ATOM 0 HA ASN A 6 0.553 -6.305 9.062 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.722 -8.274 11.083 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.073 -6.557 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.856 -7.122 13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.822 -7.672 13.347 1.00 0.00 H new ATOM 101 N LYS A 7 3.050 -8.397 8.544 1.00 0.00 N ATOM 102 CA LYS A 7 4.329 -8.487 7.854 1.00 0.00 C ATOM 103 C LYS A 7 4.179 -8.116 6.388 1.00 0.00 C ATOM 104 O LYS A 7 5.000 -7.385 5.844 1.00 0.00 O ATOM 105 CB LYS A 7 4.901 -9.902 8.002 1.00 0.00 C ATOM 106 CG LYS A 7 6.121 -10.117 7.078 1.00 0.00 C ATOM 107 CD LYS A 7 7.228 -9.084 7.363 1.00 0.00 C ATOM 108 CE LYS A 7 7.973 -9.454 8.645 1.00 0.00 C ATOM 109 NZ LYS A 7 8.754 -8.279 9.122 1.00 0.00 N ATOM 0 H LYS A 7 2.727 -9.267 8.967 1.00 0.00 H new ATOM 0 HA LYS A 7 5.023 -7.779 8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.193 -10.071 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.130 -10.635 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.515 -11.123 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.809 -10.041 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.925 -9.046 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.792 -8.090 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.265 -9.769 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.639 -10.297 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.261 -8.530 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.439 -7.998 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.108 -7.487 9.313 1.00 0.00 H new ATOM 123 N GLU A 8 3.116 -8.601 5.765 1.00 0.00 N ATOM 124 CA GLU A 8 2.861 -8.304 4.367 1.00 0.00 C ATOM 125 C GLU A 8 2.495 -6.830 4.210 1.00 0.00 C ATOM 126 O GLU A 8 2.863 -6.183 3.231 1.00 0.00 O ATOM 127 CB GLU A 8 1.728 -9.224 3.896 1.00 0.00 C ATOM 128 CG GLU A 8 1.489 -9.063 2.395 1.00 0.00 C ATOM 129 CD GLU A 8 1.068 -10.394 1.760 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.280 -11.107 2.365 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.527 -10.673 0.664 1.00 0.00 O ATOM 0 H GLU A 8 2.418 -9.201 6.206 1.00 0.00 H new ATOM 0 HA GLU A 8 3.747 -8.482 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.978 -10.261 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.814 -8.992 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.716 -8.314 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.397 -8.698 1.915 1.00 0.00 H new ATOM 138 N ARG A 9 1.776 -6.326 5.206 1.00 0.00 N ATOM 139 CA ARG A 9 1.333 -4.949 5.255 1.00 0.00 C ATOM 140 C ARG A 9 2.459 -3.987 5.616 1.00 0.00 C ATOM 141 O ARG A 9 2.456 -2.874 5.146 1.00 0.00 O ATOM 142 CB ARG A 9 0.190 -4.804 6.269 1.00 0.00 C ATOM 143 CG ARG A 9 -1.089 -5.436 5.699 1.00 0.00 C ATOM 144 CD ARG A 9 -2.148 -5.573 6.797 1.00 0.00 C ATOM 145 NE ARG A 9 -2.646 -4.255 7.185 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.798 -3.925 8.462 1.00 0.00 C ATOM 147 NH1 ARG A 9 -1.769 -3.915 9.261 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.978 -3.609 8.916 1.00 0.00 N ATOM 0 H ARG A 9 1.483 -6.877 6.013 1.00 0.00 H new ATOM 0 HA ARG A 9 0.986 -4.688 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.460 -5.288 7.208 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.019 -3.751 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.475 -4.821 4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.863 -6.416 5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.972 -6.191 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.721 -6.078 7.663 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.881 -3.576 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.845 -4.161 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.887 -3.661 10.242 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.784 -3.615 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.096 -3.355 9.897 1.00 0.00 H new ATOM 162 N VAL A 10 3.398 -4.415 6.469 1.00 0.00 N ATOM 163 CA VAL A 10 4.508 -3.539 6.900 1.00 0.00 C ATOM 164 C VAL A 10 5.351 -3.210 5.709 1.00 0.00 C ATOM 165 O VAL A 10 5.724 -2.064 5.452 1.00 0.00 O ATOM 166 CB VAL A 10 5.471 -4.212 7.903 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.518 -3.179 8.367 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.739 -4.771 9.122 1.00 0.00 C ATOM 0 H VAL A 10 3.417 -5.351 6.874 1.00 0.00 H new ATOM 0 HA VAL A 10 4.041 -2.673 7.370 1.00 0.00 H new ATOM 0 HB VAL A 10 5.950 -5.049 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.202 -3.647 9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.080 -2.818 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.014 -2.341 8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.458 -5.234 9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.224 -3.962 9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.012 -5.517 8.800 1.00 0.00 H new ATOM 178 N ILE A 11 5.673 -4.266 5.015 1.00 0.00 N ATOM 179 CA ILE A 11 6.493 -4.179 3.858 1.00 0.00 C ATOM 180 C ILE A 11 5.812 -3.308 2.823 1.00 0.00 C ATOM 181 O ILE A 11 6.408 -2.384 2.290 1.00 0.00 O ATOM 182 CB ILE A 11 6.678 -5.602 3.333 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.416 -6.443 4.396 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.462 -5.587 2.024 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.352 -7.928 4.014 1.00 0.00 C ATOM 0 H ILE A 11 5.368 -5.212 5.244 1.00 0.00 H new ATOM 0 HA ILE A 11 7.461 -3.733 4.085 1.00 0.00 H new ATOM 0 HB ILE A 11 5.702 -6.046 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.455 -6.121 4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.962 -6.289 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.586 -6.608 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.919 -5.002 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.442 -5.140 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.874 -8.520 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.311 -8.245 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.826 -8.075 3.044 1.00 0.00 H new ATOM 197 N ALA A 12 4.551 -3.624 2.575 1.00 0.00 N ATOM 198 CA ALA A 12 3.741 -2.911 1.601 1.00 0.00 C ATOM 199 C ALA A 12 3.374 -1.499 2.030 1.00 0.00 C ATOM 200 O ALA A 12 3.524 -0.563 1.252 1.00 0.00 O ATOM 201 CB ALA A 12 2.478 -3.702 1.393 1.00 0.00 C ATOM 0 H ALA A 12 4.059 -4.384 3.045 1.00 0.00 H new ATOM 0 HA ALA A 12 4.328 -2.813 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.846 -3.193 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.728 -4.696 1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.944 -3.790 2.339 1.00 0.00 H new ATOM 207 N ILE A 13 2.905 -1.338 3.267 1.00 0.00 N ATOM 208 CA ILE A 13 2.548 -0.024 3.759 1.00 0.00 C ATOM 209 C ILE A 13 3.788 0.838 3.706 1.00 0.00 C ATOM 210 O ILE A 13 3.733 2.014 3.390 1.00 0.00 O ATOM 211 CB ILE A 13 2.017 -0.098 5.206 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.395 1.259 5.577 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.162 -0.450 6.175 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.736 1.644 7.016 1.00 0.00 C ATOM 0 H ILE A 13 2.767 -2.097 3.934 1.00 0.00 H new ATOM 0 HA ILE A 13 1.755 0.398 3.142 1.00 0.00 H new ATOM 0 HB ILE A 13 1.259 -0.877 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.759 2.028 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.313 1.212 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.775 -0.499 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.587 -1.416 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.936 0.316 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.284 2.607 7.252 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.350 0.885 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.818 1.714 7.127 1.00 0.00 H new ATOM 226 N GLY A 14 4.909 0.202 4.004 1.00 0.00 N ATOM 227 CA GLY A 14 6.180 0.858 3.988 1.00 0.00 C ATOM 228 C GLY A 14 6.489 1.315 2.574 1.00 0.00 C ATOM 229 O GLY A 14 7.002 2.419 2.377 1.00 0.00 O ATOM 0 H GLY A 14 4.950 -0.784 4.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.170 1.712 4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.957 0.180 4.342 1.00 0.00 H new ATOM 233 N GLU A 15 6.147 0.476 1.573 1.00 0.00 N ATOM 234 CA GLU A 15 6.379 0.852 0.203 1.00 0.00 C ATOM 235 C GLU A 15 5.439 1.980 -0.201 1.00 0.00 C ATOM 236 O GLU A 15 5.831 2.935 -0.867 1.00 0.00 O ATOM 237 CB GLU A 15 6.073 -0.332 -0.714 1.00 0.00 C ATOM 238 CG GLU A 15 7.022 -1.528 -0.496 1.00 0.00 C ATOM 239 CD GLU A 15 8.404 -1.076 -0.013 1.00 0.00 C ATOM 240 OE1 GLU A 15 9.139 -0.528 -0.820 1.00 0.00 O ATOM 241 OE2 GLU A 15 8.706 -1.287 1.150 1.00 0.00 O ATOM 0 H GLU A 15 5.720 -0.441 1.704 1.00 0.00 H new ATOM 0 HA GLU A 15 7.419 1.166 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.046 -0.656 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.141 -0.007 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.586 -2.209 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.126 -2.084 -1.428 1.00 0.00 H new ATOM 248 N ILE A 16 4.180 1.809 0.182 1.00 0.00 N ATOM 249 CA ILE A 16 3.121 2.750 -0.149 1.00 0.00 C ATOM 250 C ILE A 16 3.255 4.084 0.579 1.00 0.00 C ATOM 251 O ILE A 16 3.019 5.146 0.000 1.00 0.00 O ATOM 252 CB ILE A 16 1.788 2.046 0.112 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.751 0.888 -0.884 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.572 2.974 -0.082 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.497 0.052 -0.732 1.00 0.00 C ATOM 0 H ILE A 16 3.865 1.010 0.733 1.00 0.00 H new ATOM 0 HA ILE A 16 3.188 3.029 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 16 1.724 1.714 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.805 1.281 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.628 0.257 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.345 2.419 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.643 3.816 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.557 3.344 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.511 -0.760 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.456 -0.363 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.380 0.677 -0.903 1.00 0.00 H new ATOM 267 N MET A 17 3.646 4.025 1.838 1.00 0.00 N ATOM 268 CA MET A 17 3.832 5.230 2.636 1.00 0.00 C ATOM 269 C MET A 17 5.016 6.039 2.099 1.00 0.00 C ATOM 270 O MET A 17 5.075 7.258 2.271 1.00 0.00 O ATOM 271 CB MET A 17 4.039 4.848 4.108 1.00 0.00 C ATOM 272 CG MET A 17 2.699 4.387 4.702 1.00 0.00 C ATOM 273 SD MET A 17 1.527 5.761 4.788 1.00 0.00 S ATOM 274 CE MET A 17 0.016 4.764 4.626 1.00 0.00 C ATOM 0 H MET A 17 3.842 3.156 2.334 1.00 0.00 H new ATOM 0 HA MET A 17 2.941 5.855 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.780 4.052 4.189 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.424 5.701 4.667 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.282 3.586 4.092 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.860 3.978 5.699 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.857 5.402 4.760 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.015 4.309 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.013 3.981 5.385 1.00 0.00 H new ATOM 284 N ARG A 18 5.943 5.344 1.430 1.00 0.00 N ATOM 285 CA ARG A 18 7.118 5.980 0.841 1.00 0.00 C ATOM 286 C ARG A 18 6.720 6.854 -0.345 1.00 0.00 C ATOM 287 O ARG A 18 7.334 7.893 -0.596 1.00 0.00 O ATOM 288 CB ARG A 18 8.100 4.893 0.380 1.00 0.00 C ATOM 289 CG ARG A 18 9.347 5.524 -0.253 1.00 0.00 C ATOM 290 CD ARG A 18 10.235 4.418 -0.823 1.00 0.00 C ATOM 291 NE ARG A 18 11.464 4.988 -1.371 1.00 0.00 N ATOM 292 CZ ARG A 18 11.526 5.415 -2.629 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.997 6.560 -2.955 1.00 0.00 N ATOM 294 NH2 ARG A 18 12.117 4.689 -3.534 1.00 0.00 N ATOM 0 H ARG A 18 5.898 4.335 1.285 1.00 0.00 H new ATOM 0 HA ARG A 18 7.592 6.614 1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.390 4.274 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.612 4.237 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.057 6.218 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.896 6.100 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.477 3.697 -0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.698 3.876 -1.602 1.00 0.00 H new ATOM 0 HE ARG A 18 12.290 5.060 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.535 7.129 -2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.045 6.888 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.532 3.793 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.165 5.016 -4.499 1.00 0.00 H new ATOM 308 N LEU A 19 5.702 6.396 -1.081 1.00 0.00 N ATOM 309 CA LEU A 19 5.211 7.087 -2.269 1.00 0.00 C ATOM 310 C LEU A 19 5.052 8.598 -2.035 1.00 0.00 C ATOM 311 O LEU A 19 4.144 9.032 -1.324 1.00 0.00 O ATOM 312 CB LEU A 19 3.885 6.450 -2.684 1.00 0.00 C ATOM 313 CG LEU A 19 4.083 4.926 -2.792 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.791 4.230 -3.223 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.200 4.633 -3.799 1.00 0.00 C ATOM 0 H LEU A 19 5.198 5.536 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 19 5.943 6.980 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.110 6.680 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.553 6.857 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 19 4.359 4.539 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.962 3.156 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.009 4.428 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.480 4.610 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.344 3.556 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.926 5.036 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.126 5.099 -3.461 1.00 0.00 H new ATOM 327 N PRO A 20 5.945 9.394 -2.603 1.00 0.00 N ATOM 328 CA PRO A 20 5.937 10.880 -2.439 1.00 0.00 C ATOM 329 C PRO A 20 4.853 11.592 -3.250 1.00 0.00 C ATOM 330 O PRO A 20 4.623 12.785 -3.041 1.00 0.00 O ATOM 331 CB PRO A 20 7.318 11.336 -2.943 1.00 0.00 C ATOM 332 CG PRO A 20 8.054 10.117 -3.405 1.00 0.00 C ATOM 333 CD PRO A 20 7.059 8.964 -3.465 1.00 0.00 C ATOM 0 HA PRO A 20 5.728 11.130 -1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.211 12.051 -3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.869 11.838 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.499 10.288 -4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.870 9.882 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.724 8.782 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.504 8.036 -3.105 1.00 0.00 H new ATOM 341 N ASN A 21 4.216 10.890 -4.194 1.00 0.00 N ATOM 342 CA ASN A 21 3.202 11.544 -5.031 1.00 0.00 C ATOM 343 C ASN A 21 1.817 11.432 -4.411 1.00 0.00 C ATOM 344 O ASN A 21 1.211 12.444 -4.056 1.00 0.00 O ATOM 345 CB ASN A 21 3.225 10.962 -6.458 1.00 0.00 C ATOM 346 CG ASN A 21 4.644 11.075 -7.018 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.303 12.100 -6.845 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.153 10.087 -7.684 1.00 0.00 N ATOM 0 H ASN A 21 4.376 9.903 -4.395 1.00 0.00 H new ATOM 0 HA ASN A 21 3.444 12.605 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.907 9.919 -6.445 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.524 11.501 -7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.097 10.160 -8.063 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.610 9.236 -7.829 1.00 0.00 H new ATOM 355 N LEU A 22 1.329 10.204 -4.286 1.00 0.00 N ATOM 356 CA LEU A 22 0.003 9.942 -3.716 1.00 0.00 C ATOM 357 C LEU A 22 -0.292 10.811 -2.508 1.00 0.00 C ATOM 358 O LEU A 22 0.606 11.132 -1.724 1.00 0.00 O ATOM 359 CB LEU A 22 -0.071 8.493 -3.253 1.00 0.00 C ATOM 360 CG LEU A 22 0.144 7.561 -4.434 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.703 6.247 -3.923 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.185 7.311 -5.134 1.00 0.00 C ATOM 0 H LEU A 22 1.832 9.364 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.723 10.162 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.684 8.307 -2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.041 8.297 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 22 0.841 8.012 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.862 5.569 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.652 6.427 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.002 5.799 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.030 6.643 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.885 6.854 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.593 8.257 -5.489 1.00 0.00 H new ATOM 374 N ASN A 23 -1.570 11.122 -2.325 1.00 0.00 N ATOM 375 CA ASN A 23 -1.987 11.886 -1.164 1.00 0.00 C ATOM 376 C ASN A 23 -2.204 10.887 -0.052 1.00 0.00 C ATOM 377 O ASN A 23 -2.320 9.688 -0.318 1.00 0.00 O ATOM 378 CB ASN A 23 -3.263 12.690 -1.451 1.00 0.00 C ATOM 379 CG ASN A 23 -4.272 11.844 -2.219 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.716 10.813 -1.726 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.656 12.221 -3.407 1.00 0.00 N ATOM 0 H ASN A 23 -2.324 10.859 -2.959 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.229 12.619 -0.887 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.704 13.029 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.015 13.581 -2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.328 11.658 -3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.285 13.079 -3.814 1.00 0.00 H new ATOM 388 N SER A 24 -2.229 11.351 1.183 1.00 0.00 N ATOM 389 CA SER A 24 -2.391 10.437 2.297 1.00 0.00 C ATOM 390 C SER A 24 -3.579 9.516 2.089 1.00 0.00 C ATOM 391 O SER A 24 -3.526 8.367 2.457 1.00 0.00 O ATOM 392 CB SER A 24 -2.575 11.194 3.597 1.00 0.00 C ATOM 393 OG SER A 24 -3.704 12.054 3.497 1.00 0.00 O ATOM 0 H SER A 24 -2.141 12.335 1.437 1.00 0.00 H new ATOM 0 HA SER A 24 -1.482 9.837 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.712 10.493 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.681 11.776 3.819 1.00 0.00 H new ATOM 0 HG SER A 24 -3.821 12.540 4.340 1.00 0.00 H new ATOM 399 N LEU A 25 -4.642 10.024 1.494 1.00 0.00 N ATOM 400 CA LEU A 25 -5.828 9.210 1.264 1.00 0.00 C ATOM 401 C LEU A 25 -5.524 8.039 0.372 1.00 0.00 C ATOM 402 O LEU A 25 -5.880 6.925 0.704 1.00 0.00 O ATOM 403 CB LEU A 25 -6.907 10.039 0.598 1.00 0.00 C ATOM 404 CG LEU A 25 -7.190 11.318 1.394 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.184 12.425 1.038 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.583 11.792 1.023 1.00 0.00 C ATOM 0 H LEU A 25 -4.712 10.986 1.163 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.165 8.847 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.598 10.298 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.821 9.451 0.512 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.105 11.106 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.408 13.321 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.174 12.087 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.256 12.653 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.816 12.703 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.626 11.994 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.309 11.020 1.276 1.00 0.00 H new ATOM 418 N GLN A 26 -4.855 8.290 -0.746 1.00 0.00 N ATOM 419 CA GLN A 26 -4.500 7.223 -1.650 1.00 0.00 C ATOM 420 C GLN A 26 -3.511 6.315 -0.978 1.00 0.00 C ATOM 421 O GLN A 26 -3.631 5.099 -1.018 1.00 0.00 O ATOM 422 CB GLN A 26 -3.893 7.797 -2.894 1.00 0.00 C ATOM 423 CG GLN A 26 -5.001 8.486 -3.689 1.00 0.00 C ATOM 424 CD GLN A 26 -4.426 9.375 -4.775 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.409 10.041 -4.573 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.023 9.418 -5.927 1.00 0.00 N ATOM 0 H GLN A 26 -4.553 9.219 -1.040 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.393 6.658 -1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.107 8.509 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.430 7.010 -3.490 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.652 7.735 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.618 9.082 -3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.864 8.864 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.651 10.006 -6.673 1.00 0.00 H new ATOM 435 N VAL A 27 -2.562 6.945 -0.311 1.00 0.00 N ATOM 436 CA VAL A 27 -1.545 6.242 0.432 1.00 0.00 C ATOM 437 C VAL A 27 -2.236 5.350 1.450 1.00 0.00 C ATOM 438 O VAL A 27 -1.890 4.182 1.630 1.00 0.00 O ATOM 439 CB VAL A 27 -0.673 7.305 1.131 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.138 6.720 2.279 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.291 7.937 0.121 1.00 0.00 C ATOM 0 H VAL A 27 -2.479 7.961 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.919 5.621 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.350 8.056 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.736 7.506 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.537 6.295 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.797 5.939 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.903 8.687 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.935 7.165 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.279 8.410 -0.679 1.00 0.00 H new ATOM 451 N VAL A 28 -3.242 5.930 2.078 1.00 0.00 N ATOM 452 CA VAL A 28 -4.054 5.232 3.064 1.00 0.00 C ATOM 453 C VAL A 28 -4.974 4.227 2.407 1.00 0.00 C ATOM 454 O VAL A 28 -5.257 3.162 2.953 1.00 0.00 O ATOM 455 CB VAL A 28 -4.803 6.207 3.948 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.625 5.416 4.971 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.754 7.046 4.683 1.00 0.00 C ATOM 0 H VAL A 28 -3.521 6.898 1.921 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.384 4.668 3.713 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.470 6.841 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.169 6.108 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.333 4.772 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.958 4.804 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.253 7.764 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.120 6.393 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.141 7.579 3.957 1.00 0.00 H new ATOM 467 N ALA A 29 -5.443 4.598 1.230 1.00 0.00 N ATOM 468 CA ALA A 29 -6.337 3.775 0.454 1.00 0.00 C ATOM 469 C ALA A 29 -5.702 2.437 0.278 1.00 0.00 C ATOM 470 O ALA A 29 -6.358 1.395 0.321 1.00 0.00 O ATOM 471 CB ALA A 29 -6.499 4.399 -0.914 1.00 0.00 C ATOM 0 H ALA A 29 -5.209 5.487 0.787 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.302 3.686 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.173 3.788 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.913 5.402 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.527 4.457 -1.405 1.00 0.00 H new ATOM 477 N PHE A 30 -4.398 2.489 0.106 1.00 0.00 N ATOM 478 CA PHE A 30 -3.643 1.315 -0.041 1.00 0.00 C ATOM 479 C PHE A 30 -3.554 0.607 1.262 1.00 0.00 C ATOM 480 O PHE A 30 -3.664 -0.609 1.275 1.00 0.00 O ATOM 481 CB PHE A 30 -2.272 1.652 -0.531 1.00 0.00 C ATOM 482 CG PHE A 30 -2.359 1.845 -2.003 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.562 0.739 -2.821 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.262 3.119 -2.546 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.676 0.910 -4.186 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.378 3.299 -3.909 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.591 2.189 -4.742 1.00 0.00 C ATOM 0 H PHE A 30 -3.857 3.353 0.068 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.131 0.665 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.903 2.556 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.571 0.853 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.630 -0.249 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.096 3.969 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.831 0.054 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.305 4.289 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.689 2.323 -5.809 1.00 0.00 H new ATOM 497 N ILE A 31 -3.402 1.360 2.372 1.00 0.00 N ATOM 498 CA ILE A 31 -3.336 0.691 3.666 1.00 0.00 C ATOM 499 C ILE A 31 -4.595 -0.146 3.792 1.00 0.00 C ATOM 500 O ILE A 31 -4.585 -1.268 4.304 1.00 0.00 O ATOM 501 CB ILE A 31 -3.356 1.662 4.857 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.214 2.664 4.793 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.225 0.863 6.166 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.417 3.693 5.916 1.00 0.00 C ATOM 0 H ILE A 31 -3.327 2.377 2.393 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.404 0.126 3.697 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.299 2.208 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.256 2.157 4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.196 3.159 3.822 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.239 1.548 7.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.057 0.164 6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.286 0.310 6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.609 4.424 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.371 4.202 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.416 3.184 6.880 1.00 0.00 H new ATOM 516 N ASN A 32 -5.679 0.452 3.305 1.00 0.00 N ATOM 517 CA ASN A 32 -6.983 -0.174 3.336 1.00 0.00 C ATOM 518 C ASN A 32 -7.067 -1.379 2.409 1.00 0.00 C ATOM 519 O ASN A 32 -7.687 -2.381 2.755 1.00 0.00 O ATOM 520 CB ASN A 32 -8.029 0.873 2.951 1.00 0.00 C ATOM 521 CG ASN A 32 -8.434 1.689 4.174 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.129 1.187 5.057 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.035 2.925 4.280 1.00 0.00 N ATOM 0 H ASN A 32 -5.671 1.380 2.881 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.168 -0.546 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.628 1.533 2.182 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.905 0.383 2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.299 3.478 5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.459 3.340 3.547 1.00 0.00 H new ATOM 530 N SER A 33 -6.450 -1.289 1.237 1.00 0.00 N ATOM 531 CA SER A 33 -6.485 -2.393 0.302 1.00 0.00 C ATOM 532 C SER A 33 -5.707 -3.588 0.857 1.00 0.00 C ATOM 533 O SER A 33 -6.088 -4.738 0.636 1.00 0.00 O ATOM 534 CB SER A 33 -5.902 -1.952 -1.031 1.00 0.00 C ATOM 535 OG SER A 33 -6.495 -0.722 -1.427 1.00 0.00 O ATOM 0 H SER A 33 -5.928 -0.472 0.920 1.00 0.00 H new ATOM 0 HA SER A 33 -7.520 -2.700 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.822 -1.836 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.082 -2.715 -1.788 1.00 0.00 H new ATOM 0 HG SER A 33 -6.242 -0.018 -0.794 1.00 0.00 H new ATOM 541 N LEU A 34 -4.603 -3.302 1.561 1.00 0.00 N ATOM 542 CA LEU A 34 -3.763 -4.385 2.127 1.00 0.00 C ATOM 543 C LEU A 34 -4.578 -5.280 3.058 1.00 0.00 C ATOM 544 O LEU A 34 -4.497 -6.499 2.980 1.00 0.00 O ATOM 545 CB LEU A 34 -2.565 -3.869 2.955 1.00 0.00 C ATOM 546 CG LEU A 34 -1.937 -2.599 2.380 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.594 -2.326 3.059 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.697 -2.732 0.878 1.00 0.00 C ATOM 0 H LEU A 34 -4.270 -2.357 1.753 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.393 -4.929 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.894 -3.674 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.806 -4.649 3.009 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.631 -1.778 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.154 -1.420 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.748 -2.196 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.078 -3.167 2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.250 -1.813 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.024 -3.568 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.646 -2.910 0.372 1.00 0.00 H new ATOM 560 N ARG A 35 -5.354 -4.667 3.947 1.00 0.00 N ATOM 561 CA ARG A 35 -6.175 -5.435 4.886 1.00 0.00 C ATOM 562 C ARG A 35 -7.338 -6.083 4.160 1.00 0.00 C ATOM 563 O ARG A 35 -7.733 -7.207 4.477 1.00 0.00 O ATOM 564 CB ARG A 35 -6.665 -4.549 6.031 1.00 0.00 C ATOM 565 CG ARG A 35 -7.519 -3.395 5.499 1.00 0.00 C ATOM 566 CD ARG A 35 -7.973 -2.502 6.659 1.00 0.00 C ATOM 567 NE ARG A 35 -8.897 -1.473 6.180 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.986 -1.785 5.484 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.905 -2.544 6.011 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.130 -1.337 4.272 1.00 0.00 N ATOM 0 H ARG A 35 -5.434 -3.654 4.039 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.560 -6.224 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.248 -5.145 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.811 -4.152 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.946 -2.809 4.780 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.387 -3.788 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.458 -3.108 7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.107 -2.033 7.126 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.701 -0.493 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.790 -2.900 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.739 -2.782 5.475 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.408 -0.748 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.965 -1.575 3.736 1.00 0.00 H new ATOM 584 N ASP A 36 -7.847 -5.378 3.154 1.00 0.00 N ATOM 585 CA ASP A 36 -8.928 -5.891 2.339 1.00 0.00 C ATOM 586 C ASP A 36 -8.413 -7.093 1.564 1.00 0.00 C ATOM 587 O ASP A 36 -9.188 -7.933 1.103 1.00 0.00 O ATOM 588 CB ASP A 36 -9.421 -4.795 1.373 1.00 0.00 C ATOM 589 CG ASP A 36 -10.147 -3.670 2.128 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.625 -3.909 3.228 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.223 -2.580 1.583 1.00 0.00 O ATOM 0 H ASP A 36 -7.523 -4.448 2.888 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.767 -6.192 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.574 -4.381 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.093 -5.233 0.635 1.00 0.00 H new ATOM 596 N ASP A 37 -7.080 -7.155 1.441 1.00 0.00 N ATOM 597 CA ASP A 37 -6.421 -8.244 0.727 1.00 0.00 C ATOM 598 C ASP A 37 -4.892 -8.141 0.864 1.00 0.00 C ATOM 599 O ASP A 37 -4.242 -7.424 0.097 1.00 0.00 O ATOM 600 CB ASP A 37 -6.809 -8.194 -0.757 1.00 0.00 C ATOM 601 CG ASP A 37 -6.511 -9.537 -1.437 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.465 -10.109 -1.165 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.335 -9.972 -2.224 1.00 0.00 O ATOM 0 H ASP A 37 -6.441 -6.461 1.829 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.745 -9.190 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.869 -7.958 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.258 -7.397 -1.256 1.00 0.00 H new ATOM 608 N PRO A 38 -4.306 -8.835 1.821 1.00 0.00 N ATOM 609 CA PRO A 38 -2.831 -8.808 2.038 1.00 0.00 C ATOM 610 C PRO A 38 -2.088 -9.529 0.924 1.00 0.00 C ATOM 611 O PRO A 38 -1.001 -9.120 0.530 1.00 0.00 O ATOM 612 CB PRO A 38 -2.609 -9.503 3.385 1.00 0.00 C ATOM 613 CG PRO A 38 -3.954 -9.895 3.903 1.00 0.00 C ATOM 614 CD PRO A 38 -4.976 -9.715 2.782 1.00 0.00 C ATOM 0 HA PRO A 38 -2.447 -7.788 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.972 -10.379 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.106 -8.836 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.942 -10.931 4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.223 -9.281 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.242 -10.670 2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.899 -9.270 3.153 1.00 0.00 H new ATOM 622 N SER A 39 -2.706 -10.585 0.396 1.00 0.00 N ATOM 623 CA SER A 39 -2.111 -11.337 -0.699 1.00 0.00 C ATOM 624 C SER A 39 -1.906 -10.394 -1.870 1.00 0.00 C ATOM 625 O SER A 39 -0.976 -10.551 -2.663 1.00 0.00 O ATOM 626 CB SER A 39 -3.024 -12.495 -1.112 1.00 0.00 C ATOM 627 OG SER A 39 -3.349 -13.269 0.035 1.00 0.00 O ATOM 0 H SER A 39 -3.612 -10.934 0.709 1.00 0.00 H new ATOM 0 HA SER A 39 -1.156 -11.756 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.933 -12.110 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.527 -13.117 -1.856 1.00 0.00 H new ATOM 0 HG SER A 39 -3.935 -14.010 -0.226 1.00 0.00 H new ATOM 633 N GLN A 40 -2.788 -9.396 -1.944 1.00 0.00 N ATOM 634 CA GLN A 40 -2.723 -8.397 -2.989 1.00 0.00 C ATOM 635 C GLN A 40 -1.946 -7.168 -2.530 1.00 0.00 C ATOM 636 O GLN A 40 -1.851 -6.200 -3.270 1.00 0.00 O ATOM 637 CB GLN A 40 -4.133 -7.993 -3.432 1.00 0.00 C ATOM 638 CG GLN A 40 -4.810 -9.175 -4.135 1.00 0.00 C ATOM 639 CD GLN A 40 -4.158 -9.428 -5.493 1.00 0.00 C ATOM 640 OE1 GLN A 40 -4.224 -8.580 -6.383 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.522 -10.547 -5.702 1.00 0.00 N ATOM 0 H GLN A 40 -3.556 -9.266 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.197 -8.835 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.722 -7.685 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.082 -7.137 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.733 -10.068 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.872 -8.969 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.468 -11.249 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.078 -10.721 -6.604 1.00 0.00 H new ATOM 650 N SER A 41 -1.353 -7.213 -1.328 1.00 0.00 N ATOM 651 CA SER A 41 -0.558 -6.078 -0.847 1.00 0.00 C ATOM 652 C SER A 41 0.505 -5.809 -1.894 1.00 0.00 C ATOM 653 O SER A 41 0.801 -4.677 -2.218 1.00 0.00 O ATOM 654 CB SER A 41 0.114 -6.396 0.502 1.00 0.00 C ATOM 655 OG SER A 41 1.199 -7.287 0.279 1.00 0.00 O ATOM 0 H SER A 41 -1.407 -8.004 -0.686 1.00 0.00 H new ATOM 0 HA SER A 41 -1.201 -5.211 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.470 -5.479 0.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.607 -6.844 1.186 1.00 0.00 H new ATOM 0 HG SER A 41 2.002 -6.942 0.722 1.00 0.00 H new ATOM 661 N ALA A 42 1.021 -6.900 -2.445 1.00 0.00 N ATOM 662 CA ALA A 42 2.018 -6.862 -3.491 1.00 0.00 C ATOM 663 C ALA A 42 1.511 -6.077 -4.689 1.00 0.00 C ATOM 664 O ALA A 42 2.217 -5.251 -5.251 1.00 0.00 O ATOM 665 CB ALA A 42 2.290 -8.289 -3.952 1.00 0.00 C ATOM 0 H ALA A 42 0.751 -7.845 -2.170 1.00 0.00 H new ATOM 0 HA ALA A 42 2.918 -6.387 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.041 -8.279 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.655 -8.879 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.369 -8.730 -4.332 1.00 0.00 H new ATOM 671 N ASN A 43 0.272 -6.362 -5.059 1.00 0.00 N ATOM 672 CA ASN A 43 -0.384 -5.721 -6.176 1.00 0.00 C ATOM 673 C ASN A 43 -0.742 -4.298 -5.842 1.00 0.00 C ATOM 674 O ASN A 43 -0.703 -3.418 -6.683 1.00 0.00 O ATOM 675 CB ASN A 43 -1.662 -6.472 -6.449 1.00 0.00 C ATOM 676 CG ASN A 43 -1.363 -7.804 -7.131 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.273 -7.869 -8.356 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.194 -8.874 -6.405 1.00 0.00 N ATOM 0 H ASN A 43 -0.308 -7.053 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 43 0.285 -5.725 -7.037 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.195 -6.647 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.316 -5.871 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.987 -9.767 -6.853 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.269 -8.818 -5.389 1.00 0.00 H new ATOM 685 N LEU A 44 -1.157 -4.127 -4.606 1.00 0.00 N ATOM 686 CA LEU A 44 -1.604 -2.849 -4.096 1.00 0.00 C ATOM 687 C LEU A 44 -0.471 -1.894 -3.916 1.00 0.00 C ATOM 688 O LEU A 44 -0.517 -0.763 -4.368 1.00 0.00 O ATOM 689 CB LEU A 44 -2.291 -3.111 -2.777 1.00 0.00 C ATOM 690 CG LEU A 44 -3.580 -3.841 -3.096 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.160 -4.504 -1.847 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.533 -2.823 -3.684 1.00 0.00 C ATOM 0 H LEU A 44 -1.194 -4.880 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.286 -2.385 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.658 -3.711 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.494 -2.177 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.403 -4.646 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.084 -5.020 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.442 -5.222 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.367 -3.743 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.478 -3.308 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.710 -2.029 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.098 -2.398 -4.588 1.00 0.00 H new ATOM 704 N LEU A 45 0.558 -2.382 -3.293 1.00 0.00 N ATOM 705 CA LEU A 45 1.735 -1.592 -3.093 1.00 0.00 C ATOM 706 C LEU A 45 2.342 -1.360 -4.471 1.00 0.00 C ATOM 707 O LEU A 45 2.863 -0.284 -4.766 1.00 0.00 O ATOM 708 CB LEU A 45 2.613 -2.265 -1.987 1.00 0.00 C ATOM 709 CG LEU A 45 4.001 -2.708 -2.423 1.00 0.00 C ATOM 710 CD1 LEU A 45 3.896 -3.899 -3.368 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.735 -1.530 -3.045 1.00 0.00 C ATOM 0 H LEU A 45 0.607 -3.327 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 45 1.570 -0.594 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.719 -1.565 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.078 -3.134 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 45 4.580 -3.038 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.895 -4.209 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.400 -4.725 -2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.318 -3.616 -4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.730 -1.846 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.179 -1.171 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.823 -0.728 -2.312 1.00 0.00 H new ATOM 723 N ALA A 46 2.161 -2.351 -5.335 1.00 0.00 N ATOM 724 CA ALA A 46 2.594 -2.242 -6.730 1.00 0.00 C ATOM 725 C ALA A 46 1.730 -1.210 -7.436 1.00 0.00 C ATOM 726 O ALA A 46 2.224 -0.357 -8.170 1.00 0.00 O ATOM 727 CB ALA A 46 2.412 -3.568 -7.450 1.00 0.00 C ATOM 0 H ALA A 46 1.719 -3.239 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 46 3.646 -1.956 -6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.739 -3.468 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.006 -4.336 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.360 -3.853 -7.428 1.00 0.00 H new ATOM 733 N GLU A 47 0.423 -1.299 -7.173 1.00 0.00 N ATOM 734 CA GLU A 47 -0.553 -0.393 -7.731 1.00 0.00 C ATOM 735 C GLU A 47 -0.220 0.995 -7.273 1.00 0.00 C ATOM 736 O GLU A 47 -0.248 1.943 -8.032 1.00 0.00 O ATOM 737 CB GLU A 47 -1.917 -0.782 -7.179 1.00 0.00 C ATOM 738 CG GLU A 47 -2.655 -1.725 -8.130 1.00 0.00 C ATOM 739 CD GLU A 47 -3.798 -2.418 -7.390 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.848 -1.809 -7.258 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.605 -3.545 -6.962 1.00 0.00 O ATOM 0 H GLU A 47 0.022 -2.010 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.555 -0.437 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.795 -1.264 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.515 0.115 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.046 -1.166 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.964 -2.468 -8.528 1.00 0.00 H new ATOM 748 N ALA A 48 0.119 1.067 -6.008 1.00 0.00 N ATOM 749 CA ALA A 48 0.491 2.306 -5.378 1.00 0.00 C ATOM 750 C ALA A 48 1.687 2.900 -6.084 1.00 0.00 C ATOM 751 O ALA A 48 1.681 4.070 -6.444 1.00 0.00 O ATOM 752 CB ALA A 48 0.831 2.033 -3.929 1.00 0.00 C ATOM 0 H ALA A 48 0.144 0.260 -5.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.336 3.014 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.115 2.965 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.037 1.609 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.661 1.328 -3.877 1.00 0.00 H new ATOM 758 N LYS A 49 2.693 2.065 -6.323 1.00 0.00 N ATOM 759 CA LYS A 49 3.870 2.512 -7.046 1.00 0.00 C ATOM 760 C LYS A 49 3.444 2.941 -8.437 1.00 0.00 C ATOM 761 O LYS A 49 3.960 3.917 -8.982 1.00 0.00 O ATOM 762 CB LYS A 49 4.923 1.400 -7.125 1.00 0.00 C ATOM 763 CG LYS A 49 5.589 1.239 -5.755 1.00 0.00 C ATOM 764 CD LYS A 49 6.678 0.164 -5.821 1.00 0.00 C ATOM 765 CE LYS A 49 7.347 0.045 -4.448 1.00 0.00 C ATOM 766 NZ LYS A 49 7.793 -1.359 -4.223 1.00 0.00 N ATOM 0 H LYS A 49 2.715 1.088 -6.030 1.00 0.00 H new ATOM 0 HA LYS A 49 4.323 3.352 -6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.457 0.463 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.671 1.644 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.023 2.188 -5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.843 0.966 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.245 -0.793 -6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.417 0.423 -6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.200 0.721 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.649 0.344 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.879 -1.536 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.096 -2.014 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.716 -1.508 -4.679 1.00 0.00 H new ATOM 780 N LYS A 50 2.457 2.223 -8.986 1.00 0.00 N ATOM 781 CA LYS A 50 1.928 2.558 -10.289 1.00 0.00 C ATOM 782 C LYS A 50 1.153 3.866 -10.205 1.00 0.00 C ATOM 783 O LYS A 50 1.244 4.679 -11.100 1.00 0.00 O ATOM 784 CB LYS A 50 1.043 1.423 -10.828 1.00 0.00 C ATOM 785 CG LYS A 50 1.934 0.281 -11.348 1.00 0.00 C ATOM 786 CD LYS A 50 1.091 -0.744 -12.125 1.00 0.00 C ATOM 787 CE LYS A 50 0.235 -1.579 -11.161 1.00 0.00 C ATOM 788 NZ LYS A 50 -1.140 -1.006 -11.089 1.00 0.00 N ATOM 0 H LYS A 50 2.020 1.415 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 50 2.756 2.686 -10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.385 1.055 -10.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.405 1.794 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.714 0.685 -11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.434 -0.208 -10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.448 -0.229 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.745 -1.399 -12.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.191 -2.614 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.689 -1.588 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.767 -1.669 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.113 -0.102 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.501 -0.847 -12.051 1.00 0.00 H new ATOM 802 N LEU A 51 0.410 4.058 -9.105 1.00 0.00 N ATOM 803 CA LEU A 51 -0.369 5.280 -8.892 1.00 0.00 C ATOM 804 C LEU A 51 0.533 6.450 -8.624 1.00 0.00 C ATOM 805 O LEU A 51 0.302 7.554 -9.100 1.00 0.00 O ATOM 806 CB LEU A 51 -1.296 5.127 -7.694 1.00 0.00 C ATOM 807 CG LEU A 51 -2.678 4.710 -8.160 1.00 0.00 C ATOM 808 CD1 LEU A 51 -2.604 3.288 -8.719 1.00 0.00 C ATOM 809 CD2 LEU A 51 -3.658 4.809 -6.985 1.00 0.00 C ATOM 0 H LEU A 51 0.334 3.378 -8.348 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.948 5.452 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.895 4.383 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.356 6.068 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.036 5.369 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.593 2.978 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.909 3.263 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.257 2.609 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.653 4.510 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.329 4.151 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.689 5.837 -6.623 1.00 0.00 H new ATOM 821 N ASN A 52 1.559 6.188 -7.844 1.00 0.00 N ATOM 822 CA ASN A 52 2.508 7.211 -7.492 1.00 0.00 C ATOM 823 C ASN A 52 3.099 7.749 -8.777 1.00 0.00 C ATOM 824 O ASN A 52 3.140 8.957 -9.014 1.00 0.00 O ATOM 825 CB ASN A 52 3.582 6.579 -6.602 1.00 0.00 C ATOM 826 CG ASN A 52 4.605 7.612 -6.149 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.329 8.416 -5.261 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.782 7.633 -6.709 1.00 0.00 N ATOM 0 H ASN A 52 1.754 5.271 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 52 2.046 8.032 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.113 6.123 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.085 5.781 -7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.477 8.318 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.008 6.965 -7.446 1.00 0.00 H new ATOM 835 N ASP A 53 3.502 6.813 -9.617 1.00 0.00 N ATOM 836 CA ASP A 53 4.051 7.121 -10.911 1.00 0.00 C ATOM 837 C ASP A 53 2.974 7.610 -11.893 1.00 0.00 C ATOM 838 O ASP A 53 3.226 8.491 -12.717 1.00 0.00 O ATOM 839 CB ASP A 53 4.733 5.866 -11.472 1.00 0.00 C ATOM 840 CG ASP A 53 5.895 5.411 -10.574 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.381 6.210 -9.781 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.282 4.260 -10.690 1.00 0.00 O ATOM 0 H ASP A 53 3.454 5.815 -9.413 1.00 0.00 H new ATOM 0 HA ASP A 53 4.773 7.929 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.003 5.062 -11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.105 6.070 -12.476 1.00 0.00 H new ATOM 847 N ALA A 54 1.796 6.976 -11.830 1.00 0.00 N ATOM 848 CA ALA A 54 0.689 7.277 -12.751 1.00 0.00 C ATOM 849 C ALA A 54 -0.004 8.597 -12.479 1.00 0.00 C ATOM 850 O ALA A 54 -0.396 9.299 -13.413 1.00 0.00 O ATOM 851 CB ALA A 54 -0.373 6.190 -12.622 1.00 0.00 C ATOM 0 H ALA A 54 1.583 6.248 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 54 1.136 7.329 -13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.198 6.405 -13.301 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.063 5.224 -12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.744 6.164 -11.597 1.00 0.00 H new ATOM 857 N GLN A 55 -0.193 8.913 -11.209 1.00 0.00 N ATOM 858 CA GLN A 55 -0.886 10.125 -10.844 1.00 0.00 C ATOM 859 C GLN A 55 0.055 11.294 -10.851 1.00 0.00 C ATOM 860 O GLN A 55 -0.274 12.375 -11.346 1.00 0.00 O ATOM 861 CB GLN A 55 -1.438 9.970 -9.441 1.00 0.00 C ATOM 862 CG GLN A 55 -2.478 8.851 -9.385 1.00 0.00 C ATOM 863 CD GLN A 55 -2.935 8.681 -7.948 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.740 7.802 -7.656 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.477 9.487 -7.027 1.00 0.00 N ATOM 0 H GLN A 55 0.124 8.347 -10.421 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.686 10.301 -11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.625 9.752 -8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.889 10.908 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.327 9.092 -10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.051 7.920 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.808 10.216 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.788 9.387 -6.061 1.00 0.00 H new ATOM 874 N ALA A 56 1.217 11.059 -10.247 1.00 0.00 N ATOM 875 CA ALA A 56 2.240 12.093 -10.105 1.00 0.00 C ATOM 876 C ALA A 56 1.576 13.451 -9.790 1.00 0.00 C ATOM 877 O ALA A 56 1.847 14.449 -10.456 1.00 0.00 O ATOM 878 CB ALA A 56 3.075 12.178 -11.385 1.00 0.00 C ATOM 0 H ALA A 56 1.475 10.157 -9.846 1.00 0.00 H new ATOM 0 HA ALA A 56 2.902 11.835 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.836 12.951 -11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.557 11.218 -11.569 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.427 12.426 -12.226 1.00 0.00 H new