USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 469 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 21 ASN : amide:sc= 0.782 K(o=-2.9,f=-6.2) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.66! C(o=-2.9!,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 133:sc= 0.0523 (180deg=-0.322) USER MOD Single : A 3 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.72) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc=-0.00499 (180deg=-0.201) USER MOD Single : A 6 ASN : amide:sc= -0.169 K(o=-0.17,f=-3.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 169:sc= -9.7! (180deg=-10.4!) USER MOD Single : A 23 ASN : amide:sc= -1.74 K(o=-1.7,f=-9.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.42) USER MOD Single : A 32 ASN : amide:sc= -2.62! C(o=-2.6!,f=-3.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.02 K(o=-1,f=-0.058) USER MOD Single : A 41 SER OG : rot 180:sc= -1.44 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 49 LYS NZ :NH3+ -172:sc= 0.0617 (180deg=0.052) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -2.27 (180deg=-2.5!) USER MOD Single : A 55 GLN : amide:sc= -4.87! C(o=-4.9!,f=-7.8!) USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= -0.03 (180deg=-0.288) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.349 -6.557 16.283 1.00 0.00 N ATOM 2 CA VAL A 1 -1.185 -7.803 15.480 1.00 0.00 C ATOM 3 C VAL A 1 -2.536 -8.511 15.362 1.00 0.00 C ATOM 4 O VAL A 1 -3.404 -8.355 16.223 1.00 0.00 O ATOM 5 CB VAL A 1 -0.143 -8.717 16.159 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.639 -9.156 17.546 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.111 -9.959 15.289 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.595 -6.503 16.998 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.291 -5.730 15.656 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.275 -6.569 16.757 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.832 -7.559 14.478 1.00 0.00 H new ATOM 0 HB VAL A 1 0.786 -8.158 16.274 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.107 -9.800 18.012 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.800 -8.277 18.170 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.576 -9.703 17.441 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.847 -10.599 15.775 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.821 -10.510 15.161 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.487 -9.649 14.314 1.00 0.00 H new ATOM 19 N ASP A 2 -2.699 -9.288 14.290 1.00 0.00 N ATOM 20 CA ASP A 2 -3.941 -10.024 14.054 1.00 0.00 C ATOM 21 C ASP A 2 -3.657 -11.316 13.289 1.00 0.00 C ATOM 22 O ASP A 2 -4.054 -12.402 13.714 1.00 0.00 O ATOM 23 CB ASP A 2 -4.934 -9.151 13.265 1.00 0.00 C ATOM 24 CG ASP A 2 -4.249 -8.509 12.051 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.618 -7.480 12.228 1.00 0.00 O ATOM 26 OD2 ASP A 2 -4.367 -9.054 10.964 1.00 0.00 O ATOM 0 H ASP A 2 -1.987 -9.424 13.572 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.382 -10.278 15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.776 -9.759 12.934 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.337 -8.374 13.914 1.00 0.00 H new ATOM 31 N ASN A 3 -2.970 -11.174 12.156 1.00 0.00 N ATOM 32 CA ASN A 3 -2.620 -12.311 11.302 1.00 0.00 C ATOM 33 C ASN A 3 -1.301 -12.019 10.589 1.00 0.00 C ATOM 34 O ASN A 3 -0.569 -11.105 10.984 1.00 0.00 O ATOM 35 CB ASN A 3 -3.730 -12.538 10.262 1.00 0.00 C ATOM 36 CG ASN A 3 -5.084 -12.690 10.945 1.00 0.00 C ATOM 37 OD1 ASN A 3 -5.413 -13.765 11.445 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.893 -11.668 11.003 1.00 0.00 N ATOM 0 H ASN A 3 -2.642 -10.274 11.805 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.514 -13.207 11.914 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.760 -11.700 9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.510 -13.431 9.677 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.799 -11.760 11.463 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.620 -10.777 10.588 1.00 0.00 H new ATOM 45 N LYS A 4 -1.008 -12.773 9.523 1.00 0.00 N ATOM 46 CA LYS A 4 0.221 -12.546 8.757 1.00 0.00 C ATOM 47 C LYS A 4 0.103 -11.241 7.985 1.00 0.00 C ATOM 48 O LYS A 4 1.040 -10.814 7.304 1.00 0.00 O ATOM 49 CB LYS A 4 0.478 -13.684 7.765 1.00 0.00 C ATOM 50 CG LYS A 4 0.478 -15.033 8.498 1.00 0.00 C ATOM 51 CD LYS A 4 0.881 -16.149 7.524 1.00 0.00 C ATOM 52 CE LYS A 4 0.769 -17.511 8.218 1.00 0.00 C ATOM 53 NZ LYS A 4 1.789 -17.605 9.302 1.00 0.00 N ATOM 0 H LYS A 4 -1.594 -13.532 9.176 1.00 0.00 H new ATOM 0 HA LYS A 4 1.053 -12.502 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.289 -13.682 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.435 -13.533 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.172 -15.002 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.511 -15.235 8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.238 -16.125 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.902 -15.990 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.231 -17.638 8.633 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.918 -18.313 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.865 -18.591 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.711 -17.287 8.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.504 -17.002 10.100 1.00 0.00 H new ATOM 67 N PHE A 5 -1.067 -10.620 8.107 1.00 0.00 N ATOM 68 CA PHE A 5 -1.352 -9.368 7.440 1.00 0.00 C ATOM 69 C PHE A 5 -0.297 -8.339 7.764 1.00 0.00 C ATOM 70 O PHE A 5 0.262 -7.714 6.881 1.00 0.00 O ATOM 71 CB PHE A 5 -2.648 -8.773 7.972 1.00 0.00 C ATOM 72 CG PHE A 5 -3.885 -9.440 7.436 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.934 -10.824 7.215 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.011 -8.646 7.181 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.114 -11.402 6.730 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.182 -9.222 6.700 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.238 -10.596 6.473 1.00 0.00 C ATOM 0 H PHE A 5 -1.838 -10.976 8.672 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.399 -9.584 6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.650 -8.844 9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.680 -7.713 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.069 -11.439 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.969 -7.582 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.161 -12.466 6.553 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.047 -8.606 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.147 -11.043 6.099 1.00 0.00 H new ATOM 87 N ASN A 6 -0.086 -8.143 9.061 1.00 0.00 N ATOM 88 CA ASN A 6 0.837 -7.133 9.543 1.00 0.00 C ATOM 89 C ASN A 6 2.208 -7.267 8.914 1.00 0.00 C ATOM 90 O ASN A 6 2.757 -6.280 8.452 1.00 0.00 O ATOM 91 CB ASN A 6 0.981 -7.262 11.053 1.00 0.00 C ATOM 92 CG ASN A 6 -0.394 -7.275 11.719 1.00 0.00 C ATOM 93 OD1 ASN A 6 -0.873 -8.329 12.137 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.060 -6.161 11.842 1.00 0.00 N ATOM 0 H ASN A 6 -0.547 -8.676 9.798 1.00 0.00 H new ATOM 0 HA ASN A 6 0.430 -6.160 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.519 -8.178 11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.572 -6.432 11.441 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.979 -6.162 12.285 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.662 -5.288 11.495 1.00 0.00 H new ATOM 101 N LYS A 7 2.747 -8.481 8.877 1.00 0.00 N ATOM 102 CA LYS A 7 4.060 -8.692 8.289 1.00 0.00 C ATOM 103 C LYS A 7 4.059 -8.285 6.821 1.00 0.00 C ATOM 104 O LYS A 7 4.982 -7.611 6.363 1.00 0.00 O ATOM 105 CB LYS A 7 4.471 -10.154 8.452 1.00 0.00 C ATOM 106 CG LYS A 7 5.868 -10.402 7.849 1.00 0.00 C ATOM 107 CD LYS A 7 6.953 -9.738 8.719 1.00 0.00 C ATOM 108 CE LYS A 7 7.392 -8.409 8.092 1.00 0.00 C ATOM 109 NZ LYS A 7 8.678 -7.970 8.705 1.00 0.00 N ATOM 0 H LYS A 7 2.300 -9.322 9.242 1.00 0.00 H new ATOM 0 HA LYS A 7 4.787 -8.067 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.474 -10.420 9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.740 -10.798 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.055 -11.473 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.910 -10.002 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.569 -9.565 9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.810 -10.404 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.511 -8.525 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.625 -7.650 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.976 -7.069 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.549 -7.844 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.408 -8.691 8.534 1.00 0.00 H new ATOM 123 N GLU A 8 3.009 -8.668 6.098 1.00 0.00 N ATOM 124 CA GLU A 8 2.901 -8.308 4.691 1.00 0.00 C ATOM 125 C GLU A 8 2.610 -6.814 4.566 1.00 0.00 C ATOM 126 O GLU A 8 3.089 -6.142 3.651 1.00 0.00 O ATOM 127 CB GLU A 8 1.776 -9.131 4.058 1.00 0.00 C ATOM 128 CG GLU A 8 1.756 -8.918 2.540 1.00 0.00 C ATOM 129 CD GLU A 8 3.016 -9.483 1.868 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.554 -10.467 2.355 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.416 -8.924 0.858 1.00 0.00 O ATOM 0 H GLU A 8 2.231 -9.220 6.459 1.00 0.00 H new ATOM 0 HA GLU A 8 3.837 -8.521 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.918 -10.188 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.817 -8.840 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.873 -9.397 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.675 -7.853 2.323 1.00 0.00 H new ATOM 138 N ARG A 9 1.823 -6.321 5.515 1.00 0.00 N ATOM 139 CA ARG A 9 1.434 -4.929 5.581 1.00 0.00 C ATOM 140 C ARG A 9 2.605 -4.034 5.938 1.00 0.00 C ATOM 141 O ARG A 9 2.646 -2.914 5.488 1.00 0.00 O ATOM 142 CB ARG A 9 0.280 -4.735 6.572 1.00 0.00 C ATOM 143 CG ARG A 9 -1.019 -5.261 5.940 1.00 0.00 C ATOM 144 CD ARG A 9 -2.203 -5.081 6.894 1.00 0.00 C ATOM 145 NE ARG A 9 -1.896 -5.648 8.206 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.632 -5.368 9.274 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.403 -4.281 9.954 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.581 -6.180 9.645 1.00 0.00 N ATOM 0 H ARG A 9 1.435 -6.890 6.268 1.00 0.00 H new ATOM 0 HA ARG A 9 1.091 -4.638 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.488 -5.266 7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.175 -3.680 6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.215 -4.732 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.905 -6.316 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.438 -4.021 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.088 -5.565 6.480 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.097 -6.274 8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.659 -3.646 9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.968 -4.065 10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.759 -7.033 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.146 -5.963 10.466 1.00 0.00 H new ATOM 162 N VAL A 10 3.547 -4.518 6.755 1.00 0.00 N ATOM 163 CA VAL A 10 4.700 -3.690 7.139 1.00 0.00 C ATOM 164 C VAL A 10 5.479 -3.367 5.894 1.00 0.00 C ATOM 165 O VAL A 10 5.856 -2.226 5.622 1.00 0.00 O ATOM 166 CB VAL A 10 5.692 -4.411 8.070 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.768 -3.401 8.523 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.996 -5.018 9.291 1.00 0.00 C ATOM 0 H VAL A 10 3.538 -5.456 7.156 1.00 0.00 H new ATOM 0 HA VAL A 10 4.297 -2.819 7.656 1.00 0.00 H new ATOM 0 HB VAL A 10 6.147 -5.234 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.478 -3.898 9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.294 -3.014 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.293 -2.577 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.734 -5.517 9.920 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.507 -4.228 9.861 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.251 -5.742 8.962 1.00 0.00 H new ATOM 178 N ILE A 11 5.720 -4.426 5.162 1.00 0.00 N ATOM 179 CA ILE A 11 6.456 -4.356 3.939 1.00 0.00 C ATOM 180 C ILE A 11 5.724 -3.456 2.967 1.00 0.00 C ATOM 181 O ILE A 11 6.307 -2.570 2.353 1.00 0.00 O ATOM 182 CB ILE A 11 6.547 -5.771 3.369 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.247 -6.697 4.384 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.319 -5.756 2.050 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.036 -8.157 3.970 1.00 0.00 C ATOM 0 H ILE A 11 5.405 -5.365 5.406 1.00 0.00 H new ATOM 0 HA ILE A 11 7.454 -3.952 4.108 1.00 0.00 H new ATOM 0 HB ILE A 11 5.541 -6.146 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.312 -6.470 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.846 -6.529 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.379 -6.769 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.805 -5.114 1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.325 -5.374 2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.530 -8.813 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.969 -8.379 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.459 -8.319 2.978 1.00 0.00 H new ATOM 197 N ALA A 12 4.435 -3.725 2.843 1.00 0.00 N ATOM 198 CA ALA A 12 3.572 -2.995 1.938 1.00 0.00 C ATOM 199 C ALA A 12 3.304 -1.569 2.382 1.00 0.00 C ATOM 200 O ALA A 12 3.478 -0.655 1.600 1.00 0.00 O ATOM 201 CB ALA A 12 2.266 -3.746 1.869 1.00 0.00 C ATOM 0 H ALA A 12 3.959 -4.458 3.369 1.00 0.00 H new ATOM 0 HA ALA A 12 4.068 -2.926 0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.584 -3.228 1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.446 -4.755 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.823 -3.798 2.864 1.00 0.00 H new ATOM 207 N ILE A 13 2.918 -1.366 3.636 1.00 0.00 N ATOM 208 CA ILE A 13 2.658 -0.024 4.119 1.00 0.00 C ATOM 209 C ILE A 13 3.923 0.791 3.967 1.00 0.00 C ATOM 210 O ILE A 13 3.889 1.953 3.597 1.00 0.00 O ATOM 211 CB ILE A 13 2.215 -0.053 5.595 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.676 1.338 5.978 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.402 -0.447 6.501 1.00 0.00 C ATOM 214 CD1 ILE A 13 2.119 1.728 7.387 1.00 0.00 C ATOM 0 H ILE A 13 2.781 -2.105 4.325 1.00 0.00 H new ATOM 0 HA ILE A 13 1.852 0.425 3.539 1.00 0.00 H new ATOM 0 HB ILE A 13 1.429 -0.796 5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.032 2.079 5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.587 1.338 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.076 -0.464 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.763 -1.436 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.206 0.280 6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.725 2.714 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.741 0.998 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.208 1.751 7.433 1.00 0.00 H new ATOM 226 N GLY A 14 5.039 0.132 4.221 1.00 0.00 N ATOM 227 CA GLY A 14 6.327 0.748 4.094 1.00 0.00 C ATOM 228 C GLY A 14 6.557 1.114 2.630 1.00 0.00 C ATOM 229 O GLY A 14 7.110 2.173 2.327 1.00 0.00 O ATOM 0 H GLY A 14 5.067 -0.843 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.382 1.640 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.106 0.068 4.440 1.00 0.00 H new ATOM 233 N GLU A 15 6.095 0.235 1.719 1.00 0.00 N ATOM 234 CA GLU A 15 6.227 0.487 0.287 1.00 0.00 C ATOM 235 C GLU A 15 5.280 1.598 -0.160 1.00 0.00 C ATOM 236 O GLU A 15 5.641 2.469 -0.950 1.00 0.00 O ATOM 237 CB GLU A 15 5.833 -0.765 -0.510 1.00 0.00 C ATOM 238 CG GLU A 15 6.819 -1.915 -0.292 1.00 0.00 C ATOM 239 CD GLU A 15 7.551 -2.229 -1.600 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.366 -1.417 -2.012 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.276 -3.268 -2.177 1.00 0.00 O ATOM 0 H GLU A 15 5.633 -0.644 1.954 1.00 0.00 H new ATOM 0 HA GLU A 15 7.265 0.766 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.833 -1.083 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.789 -0.521 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.538 -1.647 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.288 -2.800 0.059 1.00 0.00 H new ATOM 248 N ILE A 16 4.046 1.499 0.327 1.00 0.00 N ATOM 249 CA ILE A 16 2.974 2.420 -0.024 1.00 0.00 C ATOM 250 C ILE A 16 3.220 3.824 0.537 1.00 0.00 C ATOM 251 O ILE A 16 3.045 4.829 -0.150 1.00 0.00 O ATOM 252 CB ILE A 16 1.650 1.884 0.544 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.508 0.376 0.177 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.473 2.736 0.049 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.389 0.041 -0.809 1.00 0.00 C ATOM 0 H ILE A 16 3.762 0.770 0.982 1.00 0.00 H new ATOM 0 HA ILE A 16 2.935 2.492 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 16 1.646 1.959 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.453 0.032 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.342 -0.189 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.458 2.344 0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.608 3.767 0.375 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.432 2.702 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.378 -1.033 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.569 0.346 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.560 0.570 -1.746 1.00 0.00 H new ATOM 267 N MET A 17 3.593 3.860 1.810 1.00 0.00 N ATOM 268 CA MET A 17 3.843 5.109 2.522 1.00 0.00 C ATOM 269 C MET A 17 5.058 5.860 1.956 1.00 0.00 C ATOM 270 O MET A 17 5.152 7.082 2.089 1.00 0.00 O ATOM 271 CB MET A 17 4.036 4.803 4.018 1.00 0.00 C ATOM 272 CG MET A 17 2.701 4.333 4.632 1.00 0.00 C ATOM 273 SD MET A 17 1.504 5.685 4.711 1.00 0.00 S ATOM 274 CE MET A 17 0.004 4.656 4.671 1.00 0.00 C ATOM 0 H MET A 17 3.731 3.025 2.379 1.00 0.00 H new ATOM 0 HA MET A 17 2.982 5.763 2.388 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.797 4.033 4.146 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.393 5.692 4.537 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.292 3.516 4.037 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.877 3.941 5.634 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.865 5.270 4.906 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.115 4.224 3.677 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.092 3.856 5.406 1.00 0.00 H new ATOM 284 N ARG A 18 5.978 5.125 1.322 1.00 0.00 N ATOM 285 CA ARG A 18 7.179 5.722 0.735 1.00 0.00 C ATOM 286 C ARG A 18 6.814 6.614 -0.450 1.00 0.00 C ATOM 287 O ARG A 18 7.462 7.630 -0.710 1.00 0.00 O ATOM 288 CB ARG A 18 8.113 4.599 0.264 1.00 0.00 C ATOM 289 CG ARG A 18 9.405 5.179 -0.324 1.00 0.00 C ATOM 290 CD ARG A 18 10.259 4.042 -0.886 1.00 0.00 C ATOM 291 NE ARG A 18 11.550 4.555 -1.341 1.00 0.00 N ATOM 292 CZ ARG A 18 12.587 4.643 -0.516 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.722 5.688 0.251 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.468 3.685 -0.472 1.00 0.00 N ATOM 0 H ARG A 18 5.912 4.114 1.203 1.00 0.00 H new ATOM 0 HA ARG A 18 7.676 6.335 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.351 3.942 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.608 3.990 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.170 5.896 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.958 5.719 0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.412 3.280 -0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.738 3.562 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 18 11.656 4.851 -2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.031 6.438 0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.518 5.756 0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.362 2.867 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.264 3.753 0.162 1.00 0.00 H new ATOM 308 N LEU A 19 5.791 6.179 -1.171 1.00 0.00 N ATOM 309 CA LEU A 19 5.306 6.859 -2.370 1.00 0.00 C ATOM 310 C LEU A 19 5.101 8.366 -2.166 1.00 0.00 C ATOM 311 O LEU A 19 4.169 8.784 -1.476 1.00 0.00 O ATOM 312 CB LEU A 19 3.998 6.203 -2.800 1.00 0.00 C ATOM 313 CG LEU A 19 4.209 4.683 -2.861 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.914 3.987 -3.225 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.287 4.352 -3.894 1.00 0.00 C ATOM 0 H LEU A 19 5.267 5.335 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 19 6.066 6.759 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.203 6.447 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.687 6.581 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 19 4.531 4.332 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.078 2.910 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.157 4.211 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.574 4.338 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.433 3.273 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.975 4.712 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.222 4.835 -3.611 1.00 0.00 H new ATOM 327 N PRO A 20 5.953 9.182 -2.762 1.00 0.00 N ATOM 328 CA PRO A 20 5.870 10.669 -2.657 1.00 0.00 C ATOM 329 C PRO A 20 4.807 11.272 -3.581 1.00 0.00 C ATOM 330 O PRO A 20 4.506 12.464 -3.483 1.00 0.00 O ATOM 331 CB PRO A 20 7.264 11.161 -3.097 1.00 0.00 C ATOM 332 CG PRO A 20 8.067 9.948 -3.460 1.00 0.00 C ATOM 333 CD PRO A 20 7.096 8.782 -3.597 1.00 0.00 C ATOM 0 HA PRO A 20 5.590 10.968 -1.647 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.183 11.837 -3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.748 11.716 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.606 10.110 -4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.813 9.738 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.800 8.627 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.539 7.849 -3.249 1.00 0.00 H new ATOM 341 N ASN A 21 4.277 10.462 -4.506 1.00 0.00 N ATOM 342 CA ASN A 21 3.291 10.960 -5.474 1.00 0.00 C ATOM 343 C ASN A 21 1.869 10.502 -5.162 1.00 0.00 C ATOM 344 O ASN A 21 1.051 10.300 -6.066 1.00 0.00 O ATOM 345 CB ASN A 21 3.693 10.516 -6.876 1.00 0.00 C ATOM 346 CG ASN A 21 4.806 11.414 -7.416 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.727 12.638 -7.312 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.838 10.877 -7.996 1.00 0.00 N ATOM 0 H ASN A 21 4.509 9.474 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 21 3.287 12.048 -5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.030 9.480 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.829 10.556 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.582 11.470 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.904 9.863 -8.082 1.00 0.00 H new ATOM 355 N LEU A 22 1.571 10.364 -3.883 1.00 0.00 N ATOM 356 CA LEU A 22 0.241 9.964 -3.451 1.00 0.00 C ATOM 357 C LEU A 22 -0.224 10.840 -2.318 1.00 0.00 C ATOM 358 O LEU A 22 0.564 11.222 -1.450 1.00 0.00 O ATOM 359 CB LEU A 22 0.239 8.512 -2.980 1.00 0.00 C ATOM 360 CG LEU A 22 0.428 7.590 -4.176 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.871 6.214 -3.696 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.898 7.461 -4.920 1.00 0.00 C ATOM 0 H LEU A 22 2.232 10.523 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.432 10.069 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.037 8.353 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.700 8.283 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 22 1.188 8.003 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.006 5.555 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.813 6.303 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.111 5.797 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.771 6.802 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.651 7.045 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.220 8.444 -5.262 1.00 0.00 H new ATOM 374 N ASN A 23 -1.521 11.096 -2.290 1.00 0.00 N ATOM 375 CA ASN A 23 -2.095 11.862 -1.206 1.00 0.00 C ATOM 376 C ASN A 23 -2.309 10.885 -0.077 1.00 0.00 C ATOM 377 O ASN A 23 -2.388 9.676 -0.321 1.00 0.00 O ATOM 378 CB ASN A 23 -3.410 12.525 -1.635 1.00 0.00 C ATOM 379 CG ASN A 23 -4.214 11.588 -2.529 1.00 0.00 C ATOM 380 OD1 ASN A 23 -5.019 10.806 -2.039 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.029 11.617 -3.822 1.00 0.00 N ATOM 0 H ASN A 23 -2.187 10.787 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.438 12.676 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.996 12.788 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.200 13.453 -2.167 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.556 10.987 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.358 12.270 -4.227 1.00 0.00 H new ATOM 388 N SER A 24 -2.368 11.372 1.146 1.00 0.00 N ATOM 389 CA SER A 24 -2.529 10.475 2.275 1.00 0.00 C ATOM 390 C SER A 24 -3.687 9.525 2.052 1.00 0.00 C ATOM 391 O SER A 24 -3.621 8.382 2.446 1.00 0.00 O ATOM 392 CB SER A 24 -2.761 11.243 3.559 1.00 0.00 C ATOM 393 OG SER A 24 -3.898 12.087 3.417 1.00 0.00 O ATOM 0 H SER A 24 -2.308 12.362 1.382 1.00 0.00 H new ATOM 0 HA SER A 24 -1.605 9.904 2.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.913 10.549 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.881 11.840 3.801 1.00 0.00 H new ATOM 0 HG SER A 24 -4.045 12.581 4.251 1.00 0.00 H new ATOM 399 N LEU A 25 -4.738 9.999 1.409 1.00 0.00 N ATOM 400 CA LEU A 25 -5.892 9.159 1.159 1.00 0.00 C ATOM 401 C LEU A 25 -5.522 7.996 0.286 1.00 0.00 C ATOM 402 O LEU A 25 -5.858 6.881 0.615 1.00 0.00 O ATOM 403 CB LEU A 25 -6.978 9.945 0.458 1.00 0.00 C ATOM 404 CG LEU A 25 -7.319 11.224 1.229 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.336 12.354 0.885 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.714 11.654 0.812 1.00 0.00 C ATOM 0 H LEU A 25 -4.816 10.952 1.054 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.251 8.801 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.653 10.201 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.871 9.328 0.358 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.259 11.028 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.601 13.250 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.323 12.048 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.385 12.567 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.988 12.565 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.731 11.842 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.426 10.864 1.053 1.00 0.00 H new ATOM 418 N GLN A 26 -4.814 8.260 -0.810 1.00 0.00 N ATOM 419 CA GLN A 26 -4.396 7.189 -1.690 1.00 0.00 C ATOM 420 C GLN A 26 -3.449 6.290 -0.957 1.00 0.00 C ATOM 421 O GLN A 26 -3.575 5.076 -0.980 1.00 0.00 O ATOM 422 CB GLN A 26 -3.687 7.749 -2.898 1.00 0.00 C ATOM 423 CG GLN A 26 -4.720 8.304 -3.870 1.00 0.00 C ATOM 424 CD GLN A 26 -5.454 7.162 -4.572 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.668 7.023 -4.430 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.784 6.330 -5.319 1.00 0.00 N ATOM 0 H GLN A 26 -4.525 9.194 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.278 6.635 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.994 8.535 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.096 6.971 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.434 8.930 -3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.230 8.939 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.777 6.446 -5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.266 5.563 -5.787 1.00 0.00 H new ATOM 435 N VAL A 27 -2.527 6.928 -0.264 1.00 0.00 N ATOM 436 CA VAL A 27 -1.544 6.237 0.526 1.00 0.00 C ATOM 437 C VAL A 27 -2.269 5.342 1.519 1.00 0.00 C ATOM 438 O VAL A 27 -1.929 4.174 1.703 1.00 0.00 O ATOM 439 CB VAL A 27 -0.718 7.317 1.253 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.043 6.748 2.441 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.282 7.952 0.281 1.00 0.00 C ATOM 0 H VAL A 27 -2.443 7.944 -0.237 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.886 5.613 -0.079 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.418 8.066 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.611 7.543 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.662 6.321 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.726 5.971 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.862 8.714 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.954 7.184 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.257 8.410 -0.548 1.00 0.00 H new ATOM 451 N VAL A 28 -3.292 5.915 2.121 1.00 0.00 N ATOM 452 CA VAL A 28 -4.133 5.207 3.075 1.00 0.00 C ATOM 453 C VAL A 28 -5.044 4.211 2.382 1.00 0.00 C ATOM 454 O VAL A 28 -5.349 3.144 2.911 1.00 0.00 O ATOM 455 CB VAL A 28 -4.884 6.183 3.960 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.670 5.399 5.012 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.839 7.045 4.670 1.00 0.00 C ATOM 0 H VAL A 28 -3.567 6.885 1.965 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.491 4.619 3.731 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.570 6.794 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.213 6.094 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.377 4.734 4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.981 4.810 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.340 7.763 5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.188 6.408 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.244 7.579 3.929 1.00 0.00 H new ATOM 467 N ALA A 29 -5.476 4.593 1.190 1.00 0.00 N ATOM 468 CA ALA A 29 -6.356 3.783 0.373 1.00 0.00 C ATOM 469 C ALA A 29 -5.728 2.438 0.208 1.00 0.00 C ATOM 470 O ALA A 29 -6.384 1.398 0.244 1.00 0.00 O ATOM 471 CB ALA A 29 -6.458 4.419 -1.006 1.00 0.00 C ATOM 0 H ALA A 29 -5.221 5.483 0.762 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.340 3.705 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.118 3.821 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.861 5.427 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.468 4.465 -1.460 1.00 0.00 H new ATOM 477 N PHE A 30 -4.427 2.493 0.053 1.00 0.00 N ATOM 478 CA PHE A 30 -3.648 1.329 -0.089 1.00 0.00 C ATOM 479 C PHE A 30 -3.589 0.590 1.202 1.00 0.00 C ATOM 480 O PHE A 30 -3.701 -0.630 1.196 1.00 0.00 O ATOM 481 CB PHE A 30 -2.276 1.729 -0.504 1.00 0.00 C ATOM 482 CG PHE A 30 -2.275 1.909 -1.978 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.460 0.810 -2.813 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.164 3.181 -2.501 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.511 0.997 -4.187 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.232 3.381 -3.856 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.400 2.287 -4.718 1.00 0.00 C ATOM 0 H PHE A 30 -3.894 3.362 0.024 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.093 0.676 -0.840 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.982 2.654 -0.007 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.553 0.967 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.563 -0.180 -2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.023 4.023 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.636 0.150 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.156 4.380 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.443 2.440 -5.786 1.00 0.00 H new ATOM 497 N ILE A 31 -3.455 1.326 2.321 1.00 0.00 N ATOM 498 CA ILE A 31 -3.425 0.642 3.610 1.00 0.00 C ATOM 499 C ILE A 31 -4.694 -0.183 3.692 1.00 0.00 C ATOM 500 O ILE A 31 -4.708 -1.309 4.195 1.00 0.00 O ATOM 501 CB ILE A 31 -3.448 1.604 4.806 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.253 2.550 4.788 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.413 0.792 6.111 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.448 3.588 5.901 1.00 0.00 C ATOM 0 H ILE A 31 -3.370 2.342 2.355 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.504 0.061 3.663 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.360 2.197 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.327 1.996 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.172 3.042 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.429 1.472 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.282 0.135 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.503 0.193 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.604 4.277 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.369 4.144 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.510 3.081 6.864 1.00 0.00 H new ATOM 516 N ASN A 32 -5.759 0.420 3.164 1.00 0.00 N ATOM 517 CA ASN A 32 -7.064 -0.212 3.138 1.00 0.00 C ATOM 518 C ASN A 32 -7.040 -1.473 2.290 1.00 0.00 C ATOM 519 O ASN A 32 -7.565 -2.508 2.696 1.00 0.00 O ATOM 520 CB ASN A 32 -8.079 0.776 2.547 1.00 0.00 C ATOM 521 CG ASN A 32 -9.428 0.654 3.242 1.00 0.00 C ATOM 522 OD1 ASN A 32 -10.342 0.019 2.720 1.00 0.00 O ATOM 523 ND2 ASN A 32 -9.613 1.241 4.390 1.00 0.00 N ATOM 0 H ASN A 32 -5.736 1.351 2.748 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.344 -0.487 4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.703 1.794 2.650 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.197 0.587 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.517 1.174 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.854 1.768 4.822 1.00 0.00 H new ATOM 530 N SER A 33 -6.434 -1.377 1.110 1.00 0.00 N ATOM 531 CA SER A 33 -6.361 -2.507 0.209 1.00 0.00 C ATOM 532 C SER A 33 -5.601 -3.673 0.838 1.00 0.00 C ATOM 533 O SER A 33 -5.962 -4.832 0.630 1.00 0.00 O ATOM 534 CB SER A 33 -5.690 -2.075 -1.086 1.00 0.00 C ATOM 535 OG SER A 33 -6.297 -0.878 -1.559 1.00 0.00 O ATOM 0 H SER A 33 -5.989 -0.527 0.762 1.00 0.00 H new ATOM 0 HA SER A 33 -7.374 -2.851 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.625 -1.914 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.781 -2.862 -1.835 1.00 0.00 H new ATOM 0 HG SER A 33 -5.864 -0.599 -2.392 1.00 0.00 H new ATOM 541 N LEU A 34 -4.546 -3.363 1.600 1.00 0.00 N ATOM 542 CA LEU A 34 -3.749 -4.428 2.245 1.00 0.00 C ATOM 543 C LEU A 34 -4.631 -5.269 3.165 1.00 0.00 C ATOM 544 O LEU A 34 -4.571 -6.495 3.149 1.00 0.00 O ATOM 545 CB LEU A 34 -2.599 -3.882 3.124 1.00 0.00 C ATOM 546 CG LEU A 34 -1.988 -2.590 2.578 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.769 -2.198 3.420 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.543 -2.768 1.129 1.00 0.00 C ATOM 0 H LEU A 34 -4.226 -2.413 1.786 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.332 -5.012 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.974 -3.702 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.820 -4.640 3.204 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.748 -1.810 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.337 -1.277 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.076 -2.043 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.026 -2.994 3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.112 -1.836 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.796 -3.560 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.403 -3.036 0.515 1.00 0.00 H new ATOM 560 N ARG A 35 -5.435 -4.589 3.978 1.00 0.00 N ATOM 561 CA ARG A 35 -6.323 -5.270 4.919 1.00 0.00 C ATOM 562 C ARG A 35 -7.482 -5.927 4.181 1.00 0.00 C ATOM 563 O ARG A 35 -7.932 -7.013 4.553 1.00 0.00 O ATOM 564 CB ARG A 35 -6.790 -4.273 5.995 1.00 0.00 C ATOM 565 CG ARG A 35 -8.203 -3.735 5.723 1.00 0.00 C ATOM 566 CD ARG A 35 -8.492 -2.571 6.679 1.00 0.00 C ATOM 567 NE ARG A 35 -9.929 -2.322 6.752 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.497 -1.335 6.073 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.869 -1.524 4.841 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.688 -0.179 6.641 1.00 0.00 N ATOM 0 H ARG A 35 -5.491 -3.571 4.005 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.785 -6.072 5.424 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.771 -4.760 6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.090 -3.439 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.285 -3.401 4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.939 -4.527 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.105 -2.802 7.671 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.977 -1.673 6.337 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.509 -2.921 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.724 -2.431 4.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.306 -0.765 4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.401 -0.033 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.125 0.580 6.118 1.00 0.00 H new ATOM 584 N ASP A 36 -7.932 -5.272 3.114 1.00 0.00 N ATOM 585 CA ASP A 36 -9.008 -5.798 2.291 1.00 0.00 C ATOM 586 C ASP A 36 -8.502 -7.029 1.555 1.00 0.00 C ATOM 587 O ASP A 36 -9.281 -7.884 1.129 1.00 0.00 O ATOM 588 CB ASP A 36 -9.465 -4.729 1.283 1.00 0.00 C ATOM 589 CG ASP A 36 -10.089 -3.519 1.994 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.541 -3.666 3.121 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.097 -2.457 1.397 1.00 0.00 O ATOM 0 H ASP A 36 -7.564 -4.373 2.801 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.858 -6.069 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.614 -4.403 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.190 -5.162 0.595 1.00 0.00 H new ATOM 596 N ASP A 37 -7.175 -7.092 1.415 1.00 0.00 N ATOM 597 CA ASP A 37 -6.521 -8.199 0.731 1.00 0.00 C ATOM 598 C ASP A 37 -5.004 -8.158 0.980 1.00 0.00 C ATOM 599 O ASP A 37 -4.281 -7.418 0.306 1.00 0.00 O ATOM 600 CB ASP A 37 -6.809 -8.106 -0.773 1.00 0.00 C ATOM 601 CG ASP A 37 -6.492 -9.438 -1.464 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.429 -9.985 -1.211 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.318 -9.889 -2.239 1.00 0.00 O ATOM 0 H ASP A 37 -6.534 -6.383 1.770 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.910 -9.141 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.855 -7.846 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.211 -7.309 -1.215 1.00 0.00 H new ATOM 608 N PRO A 38 -4.510 -8.925 1.934 1.00 0.00 N ATOM 609 CA PRO A 38 -3.056 -8.955 2.260 1.00 0.00 C ATOM 610 C PRO A 38 -2.237 -9.612 1.153 1.00 0.00 C ATOM 611 O PRO A 38 -1.097 -9.228 0.905 1.00 0.00 O ATOM 612 CB PRO A 38 -2.950 -9.747 3.567 1.00 0.00 C ATOM 613 CG PRO A 38 -4.338 -10.133 3.958 1.00 0.00 C ATOM 614 CD PRO A 38 -5.272 -9.841 2.787 1.00 0.00 C ATOM 0 HA PRO A 38 -2.654 -7.947 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.327 -10.631 3.432 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.483 -9.144 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.377 -11.191 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.652 -9.575 4.840 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.537 -10.753 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.204 -9.387 3.125 1.00 0.00 H new ATOM 622 N SER A 39 -2.840 -10.590 0.476 1.00 0.00 N ATOM 623 CA SER A 39 -2.170 -11.281 -0.619 1.00 0.00 C ATOM 624 C SER A 39 -1.872 -10.286 -1.727 1.00 0.00 C ATOM 625 O SER A 39 -0.865 -10.398 -2.430 1.00 0.00 O ATOM 626 CB SER A 39 -3.053 -12.411 -1.155 1.00 0.00 C ATOM 627 OG SER A 39 -2.313 -13.181 -2.095 1.00 0.00 O ATOM 0 H SER A 39 -3.787 -10.918 0.668 1.00 0.00 H new ATOM 0 HA SER A 39 -1.239 -11.715 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.391 -13.044 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.945 -11.998 -1.627 1.00 0.00 H new ATOM 0 HG SER A 39 -2.875 -13.906 -2.439 1.00 0.00 H new ATOM 633 N GLN A 40 -2.766 -9.308 -1.864 1.00 0.00 N ATOM 634 CA GLN A 40 -2.619 -8.279 -2.873 1.00 0.00 C ATOM 635 C GLN A 40 -1.758 -7.124 -2.371 1.00 0.00 C ATOM 636 O GLN A 40 -1.456 -6.216 -3.133 1.00 0.00 O ATOM 637 CB GLN A 40 -3.994 -7.754 -3.298 1.00 0.00 C ATOM 638 CG GLN A 40 -4.703 -8.806 -4.166 1.00 0.00 C ATOM 639 CD GLN A 40 -6.094 -8.320 -4.583 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.755 -8.969 -5.394 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.589 -7.225 -4.072 1.00 0.00 N ATOM 0 H GLN A 40 -3.599 -9.213 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.120 -8.726 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.596 -7.529 -2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.883 -6.824 -3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.105 -9.015 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.790 -9.741 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.045 -6.684 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.520 -6.910 -4.345 1.00 0.00 H new ATOM 650 N SER A 41 -1.331 -7.167 -1.103 1.00 0.00 N ATOM 651 CA SER A 41 -0.475 -6.110 -0.558 1.00 0.00 C ATOM 652 C SER A 41 0.713 -5.943 -1.483 1.00 0.00 C ATOM 653 O SER A 41 1.197 -4.846 -1.682 1.00 0.00 O ATOM 654 CB SER A 41 -0.020 -6.460 0.869 1.00 0.00 C ATOM 655 OG SER A 41 -1.156 -6.510 1.715 1.00 0.00 O ATOM 0 H SER A 41 -1.561 -7.911 -0.445 1.00 0.00 H new ATOM 0 HA SER A 41 -1.029 -5.173 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.497 -7.420 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.688 -5.715 1.232 1.00 0.00 H new ATOM 0 HG SER A 41 -0.875 -6.734 2.627 1.00 0.00 H new ATOM 661 N ALA A 42 1.124 -7.065 -2.066 1.00 0.00 N ATOM 662 CA ALA A 42 2.223 -7.123 -3.020 1.00 0.00 C ATOM 663 C ALA A 42 1.888 -6.372 -4.309 1.00 0.00 C ATOM 664 O ALA A 42 2.719 -5.682 -4.894 1.00 0.00 O ATOM 665 CB ALA A 42 2.452 -8.580 -3.393 1.00 0.00 C ATOM 0 H ALA A 42 0.695 -7.973 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 42 3.100 -6.669 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.272 -8.648 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.703 -9.150 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.546 -8.988 -3.841 1.00 0.00 H new ATOM 671 N ASN A 43 0.660 -6.553 -4.748 1.00 0.00 N ATOM 672 CA ASN A 43 0.155 -5.928 -5.953 1.00 0.00 C ATOM 673 C ASN A 43 -0.100 -4.456 -5.737 1.00 0.00 C ATOM 674 O ASN A 43 0.045 -3.627 -6.621 1.00 0.00 O ATOM 675 CB ASN A 43 -1.173 -6.568 -6.270 1.00 0.00 C ATOM 676 CG ASN A 43 -0.978 -7.965 -6.848 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.308 -8.957 -6.199 1.00 0.00 O ATOM 678 ND2 ASN A 43 -0.459 -8.103 -8.036 1.00 0.00 N ATOM 0 H ASN A 43 -0.023 -7.144 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 43 0.887 -6.052 -6.751 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.779 -6.625 -5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.719 -5.949 -6.981 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.326 -9.035 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.186 -7.279 -8.572 1.00 0.00 H new ATOM 685 N LEU A 44 -0.591 -4.189 -4.555 1.00 0.00 N ATOM 686 CA LEU A 44 -1.011 -2.866 -4.168 1.00 0.00 C ATOM 687 C LEU A 44 0.085 -1.841 -4.216 1.00 0.00 C ATOM 688 O LEU A 44 -0.155 -0.749 -4.703 1.00 0.00 O ATOM 689 CB LEU A 44 -1.656 -2.959 -2.805 1.00 0.00 C ATOM 690 CG LEU A 44 -2.966 -3.735 -2.986 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.467 -4.301 -1.660 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.001 -2.803 -3.591 1.00 0.00 C ATOM 0 H LEU A 44 -0.712 -4.891 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.734 -2.505 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.999 -3.469 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.848 -1.966 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.790 -4.581 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.397 -4.845 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.719 -4.978 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.643 -3.485 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.940 -3.340 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.161 -1.955 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.646 -2.443 -4.557 1.00 0.00 H new ATOM 704 N LEU A 45 1.293 -2.176 -3.784 1.00 0.00 N ATOM 705 CA LEU A 45 2.365 -1.177 -3.915 1.00 0.00 C ATOM 706 C LEU A 45 2.628 -1.037 -5.389 1.00 0.00 C ATOM 707 O LEU A 45 2.982 0.015 -5.862 1.00 0.00 O ATOM 708 CB LEU A 45 3.721 -1.419 -3.200 1.00 0.00 C ATOM 709 CG LEU A 45 3.755 -2.652 -2.322 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.674 -2.572 -1.249 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.606 -3.879 -3.209 1.00 0.00 C ATOM 0 H LEU A 45 1.555 -3.068 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 45 1.984 -0.294 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.505 -1.503 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.957 -0.547 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 45 4.706 -2.721 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.712 -3.466 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.841 -1.691 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.695 -2.502 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.628 -4.778 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.657 -3.829 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.426 -3.911 -3.927 1.00 0.00 H new ATOM 723 N ALA A 46 2.433 -2.138 -6.109 1.00 0.00 N ATOM 724 CA ALA A 46 2.625 -2.138 -7.551 1.00 0.00 C ATOM 725 C ALA A 46 1.678 -1.118 -8.138 1.00 0.00 C ATOM 726 O ALA A 46 2.051 -0.296 -8.971 1.00 0.00 O ATOM 727 CB ALA A 46 2.271 -3.508 -8.123 1.00 0.00 C ATOM 0 H ALA A 46 2.144 -3.035 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 46 3.663 -1.905 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.417 -3.500 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.913 -4.266 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.229 -3.737 -7.900 1.00 0.00 H new ATOM 733 N GLU A 47 0.452 -1.168 -7.635 1.00 0.00 N ATOM 734 CA GLU A 47 -0.582 -0.255 -8.027 1.00 0.00 C ATOM 735 C GLU A 47 -0.236 1.122 -7.524 1.00 0.00 C ATOM 736 O GLU A 47 -0.308 2.098 -8.243 1.00 0.00 O ATOM 737 CB GLU A 47 -1.875 -0.729 -7.381 1.00 0.00 C ATOM 738 CG GLU A 47 -2.626 -1.649 -8.349 1.00 0.00 C ATOM 739 CD GLU A 47 -2.418 -3.118 -7.972 1.00 0.00 C ATOM 740 OE1 GLU A 47 -2.927 -3.526 -6.939 1.00 0.00 O ATOM 741 OE2 GLU A 47 -1.750 -3.812 -8.721 1.00 0.00 O ATOM 0 H GLU A 47 0.157 -1.853 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.688 -0.219 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.657 -1.260 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.498 0.127 -7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.690 -1.411 -8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.277 -1.477 -9.367 1.00 0.00 H new ATOM 748 N ALA A 48 0.158 1.155 -6.272 1.00 0.00 N ATOM 749 CA ALA A 48 0.542 2.381 -5.599 1.00 0.00 C ATOM 750 C ALA A 48 1.695 3.047 -6.323 1.00 0.00 C ATOM 751 O ALA A 48 1.673 4.247 -6.579 1.00 0.00 O ATOM 752 CB ALA A 48 0.948 2.058 -4.179 1.00 0.00 C ATOM 0 H ALA A 48 0.223 0.325 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.305 3.067 -5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.238 2.975 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.109 1.600 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.790 1.366 -4.190 1.00 0.00 H new ATOM 758 N LYS A 49 2.685 2.245 -6.676 1.00 0.00 N ATOM 759 CA LYS A 49 3.831 2.743 -7.418 1.00 0.00 C ATOM 760 C LYS A 49 3.338 3.234 -8.772 1.00 0.00 C ATOM 761 O LYS A 49 3.795 4.260 -9.275 1.00 0.00 O ATOM 762 CB LYS A 49 4.883 1.636 -7.583 1.00 0.00 C ATOM 763 CG LYS A 49 5.575 1.374 -6.232 1.00 0.00 C ATOM 764 CD LYS A 49 6.502 0.156 -6.341 1.00 0.00 C ATOM 765 CE LYS A 49 6.952 -0.287 -4.940 1.00 0.00 C ATOM 766 NZ LYS A 49 8.037 0.609 -4.450 1.00 0.00 N ATOM 0 H LYS A 49 2.719 1.248 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 49 4.305 3.564 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.411 0.722 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.621 1.930 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.148 2.251 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.826 1.203 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.984 -0.662 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.371 0.403 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.107 -0.260 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.305 -1.318 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.430 0.227 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.789 0.668 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.651 1.559 -4.275 1.00 0.00 H new ATOM 780 N LYS A 50 2.342 2.518 -9.322 1.00 0.00 N ATOM 781 CA LYS A 50 1.731 2.916 -10.584 1.00 0.00 C ATOM 782 C LYS A 50 0.911 4.179 -10.362 1.00 0.00 C ATOM 783 O LYS A 50 0.818 5.029 -11.236 1.00 0.00 O ATOM 784 CB LYS A 50 0.848 1.790 -11.144 1.00 0.00 C ATOM 785 CG LYS A 50 1.719 0.751 -11.869 1.00 0.00 C ATOM 786 CD LYS A 50 0.824 -0.310 -12.538 1.00 0.00 C ATOM 787 CE LYS A 50 1.170 -1.711 -12.013 1.00 0.00 C ATOM 788 NZ LYS A 50 0.423 -1.966 -10.750 1.00 0.00 N ATOM 0 H LYS A 50 1.952 1.670 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 50 2.515 3.115 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.296 1.313 -10.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.111 2.203 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.338 1.243 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.396 0.274 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.224 -0.089 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.956 -0.277 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.913 -2.464 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.243 -1.790 -11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.825 -2.797 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.500 -1.136 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.578 -2.143 -10.969 1.00 0.00 H new ATOM 802 N LEU A 51 0.334 4.280 -9.161 1.00 0.00 N ATOM 803 CA LEU A 51 -0.478 5.421 -8.761 1.00 0.00 C ATOM 804 C LEU A 51 0.403 6.636 -8.607 1.00 0.00 C ATOM 805 O LEU A 51 0.060 7.733 -9.038 1.00 0.00 O ATOM 806 CB LEU A 51 -1.127 5.132 -7.406 1.00 0.00 C ATOM 807 CG LEU A 51 -2.577 4.667 -7.537 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.441 5.843 -8.015 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.674 3.454 -8.490 1.00 0.00 C ATOM 0 H LEU A 51 0.421 3.565 -8.438 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.241 5.599 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.550 4.367 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.092 6.031 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.949 4.338 -6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.477 5.518 -8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.381 6.656 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.079 6.191 -8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.714 3.137 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.303 3.735 -9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.074 2.633 -8.097 1.00 0.00 H new ATOM 821 N ASN A 52 1.551 6.408 -7.982 1.00 0.00 N ATOM 822 CA ASN A 52 2.517 7.460 -7.757 1.00 0.00 C ATOM 823 C ASN A 52 2.939 8.004 -9.100 1.00 0.00 C ATOM 824 O ASN A 52 2.957 9.213 -9.335 1.00 0.00 O ATOM 825 CB ASN A 52 3.705 6.853 -6.968 1.00 0.00 C ATOM 826 CG ASN A 52 5.108 7.328 -7.428 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.265 8.264 -8.208 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.161 6.721 -6.969 1.00 0.00 N ATOM 0 H ASN A 52 1.831 5.496 -7.622 1.00 0.00 H new ATOM 0 HA ASN A 52 2.106 8.284 -7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.583 7.097 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.660 5.767 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.091 7.025 -7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.058 5.941 -6.320 1.00 0.00 H new ATOM 835 N ASP A 53 3.268 7.083 -9.976 1.00 0.00 N ATOM 836 CA ASP A 53 3.693 7.429 -11.300 1.00 0.00 C ATOM 837 C ASP A 53 2.537 8.022 -12.105 1.00 0.00 C ATOM 838 O ASP A 53 2.732 8.907 -12.941 1.00 0.00 O ATOM 839 CB ASP A 53 4.220 6.170 -12.000 1.00 0.00 C ATOM 840 CG ASP A 53 5.436 5.585 -11.261 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.080 6.310 -10.512 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.701 4.410 -11.452 1.00 0.00 O ATOM 0 H ASP A 53 3.247 6.081 -9.787 1.00 0.00 H new ATOM 0 HA ASP A 53 4.482 8.179 -11.234 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.429 5.422 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.497 6.411 -13.026 1.00 0.00 H new ATOM 847 N ALA A 54 1.338 7.485 -11.867 1.00 0.00 N ATOM 848 CA ALA A 54 0.135 7.912 -12.596 1.00 0.00 C ATOM 849 C ALA A 54 -0.411 9.267 -12.173 1.00 0.00 C ATOM 850 O ALA A 54 -0.869 10.047 -13.010 1.00 0.00 O ATOM 851 CB ALA A 54 -0.966 6.906 -12.329 1.00 0.00 C ATOM 0 H ALA A 54 1.171 6.754 -11.176 1.00 0.00 H new ATOM 0 HA ALA A 54 0.430 7.982 -13.643 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.869 7.205 -12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.650 5.921 -12.674 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.172 6.867 -11.259 1.00 0.00 H new ATOM 857 N GLN A 55 -0.406 9.518 -10.873 1.00 0.00 N ATOM 858 CA GLN A 55 -0.952 10.754 -10.344 1.00 0.00 C ATOM 859 C GLN A 55 0.042 11.874 -10.436 1.00 0.00 C ATOM 860 O GLN A 55 -0.290 12.973 -10.885 1.00 0.00 O ATOM 861 CB GLN A 55 -1.324 10.570 -8.877 1.00 0.00 C ATOM 862 CG GLN A 55 -2.537 9.648 -8.743 1.00 0.00 C ATOM 863 CD GLN A 55 -2.907 9.499 -7.271 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.911 8.869 -6.946 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.159 10.055 -6.354 1.00 0.00 N ATOM 0 H GLN A 55 -0.031 8.883 -10.168 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.831 11.004 -10.937 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.479 10.150 -8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.544 11.538 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.380 10.056 -9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.313 8.672 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.326 10.578 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.409 9.966 -5.369 1.00 0.00 H new ATOM 874 N ALA A 56 1.255 11.586 -9.969 1.00 0.00 N ATOM 875 CA ALA A 56 2.318 12.592 -9.945 1.00 0.00 C ATOM 876 C ALA A 56 1.718 13.939 -9.487 1.00 0.00 C ATOM 877 O ALA A 56 1.683 14.903 -10.252 1.00 0.00 O ATOM 878 CB ALA A 56 2.944 12.710 -11.339 1.00 0.00 C ATOM 0 H ALA A 56 1.526 10.673 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 56 3.102 12.301 -9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.735 13.459 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.363 11.747 -11.633 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.180 13.007 -12.057 1.00 0.00 H new ATOM 884 N PRO A 57 1.180 13.981 -8.271 1.00 0.00 N ATOM 885 CA PRO A 57 0.489 15.169 -7.690 1.00 0.00 C ATOM 886 C PRO A 57 1.161 16.496 -8.045 1.00 0.00 C ATOM 887 O PRO A 57 2.142 16.907 -7.419 1.00 0.00 O ATOM 888 CB PRO A 57 0.495 14.919 -6.168 1.00 0.00 C ATOM 889 CG PRO A 57 1.185 13.612 -5.961 1.00 0.00 C ATOM 890 CD PRO A 57 1.179 12.892 -7.306 1.00 0.00 C ATOM 0 HA PRO A 57 -0.518 15.270 -8.096 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.016 15.721 -5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.521 14.889 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.205 13.765 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.672 13.020 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.053 12.251 -7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.300 12.257 -7.418 1.00 0.00 H new ATOM 898 N LYS A 58 0.614 17.148 -9.064 1.00 0.00 N ATOM 899 CA LYS A 58 1.133 18.432 -9.535 1.00 0.00 C ATOM 900 C LYS A 58 0.442 19.589 -8.809 1.00 0.00 C ATOM 901 O LYS A 58 -0.775 19.560 -8.707 1.00 0.00 O ATOM 902 CB LYS A 58 0.897 18.552 -11.045 1.00 0.00 C ATOM 903 CG LYS A 58 1.871 17.628 -11.800 1.00 0.00 C ATOM 904 CD LYS A 58 1.105 16.762 -12.814 1.00 0.00 C ATOM 905 CE LYS A 58 0.468 17.644 -13.897 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.017 17.589 -13.773 1.00 0.00 N ATOM 907 OXT LYS A 58 1.140 20.486 -8.365 1.00 0.00 O ATOM 0 H LYS A 58 -0.194 16.808 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 58 2.201 18.481 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.132 18.284 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.040 19.585 -11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.623 18.225 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.400 16.990 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.783 16.043 -13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.332 16.189 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.814 18.672 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.774 17.302 -14.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.451 17.838 -14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.307 16.628 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.330 18.263 -13.045 1.00 0.00 H new TER 921 LYS A 58