USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 560 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 63 GLN : amide:sc= 0.906 K(o=1.7,f=-2.6) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.786 K(o=1.7,f=-3) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 GLN : amide:sc= 0.833 K(o=2.6,f=1) USER MOD Set 3.2: A 23 GLN : amide:sc= 1.78 K(o=2.6,f=0.19) USER MOD Set 4.1: A 4 MET CE :methyl -176:sc= 0 (180deg=-0.0323) USER MOD Set 4.2: A 53 HIS : no HE2:sc= 0.945 K(o=1.8,f=-5.4!) USER MOD Set 4.3: A 56 GLN : amide:sc= 0.815 K(o=1.8,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 179:sc= 1.18 (180deg=1.17) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.019) USER MOD Single : A 11 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.32) USER MOD Single : A 12 GLN : amide:sc= 0.795 K(o=0.79,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= 1.14 K(o=1.1,f=-0.2) USER MOD Single : A 16 GLN : amide:sc= 1.11 K(o=1.1,f=-0.23) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 MET CE :methyl -119:sc= 0 (180deg=-0.0573) USER MOD Single : A 24 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.9 K(o=0.9,f=-3.9!) USER MOD Single : A 35 GLN : amide:sc= 1.12 K(o=1.1,f=-0.029) USER MOD Single : A 40 ASN : amide:sc= 0.234 K(o=0.23,f=-4.8!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 45 GLN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 46 GLN : amide:sc= 0.53 K(o=0.53,f=0) USER MOD Single : A 48 SER OG : rot -19:sc= 0.0241 USER MOD Single : A 49 GLN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.917 K(o=0.92,f=-3!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.301 -8.907 6.643 1.00 10.00 N ATOM 2 CA GLY A 1 14.574 -10.356 6.528 1.00 10.00 C ATOM 3 C GLY A 1 13.411 -11.091 5.880 1.00 10.00 C ATOM 4 O GLY A 1 12.253 -10.730 6.087 1.00 10.00 O ATOM 0 H1 GLY A 1 15.106 -8.438 7.104 1.00 10.00 H new ATOM 0 H2 GLY A 1 14.162 -8.504 5.695 1.00 10.00 H new ATOM 0 H3 GLY A 1 13.443 -8.760 7.211 1.00 10.00 H new ATOM 0 HA2 GLY A 1 15.478 -10.512 5.939 1.00 10.00 H new ATOM 0 HA3 GLY A 1 14.763 -10.772 7.518 1.00 10.00 H new ATOM 10 N SER A 2 13.703 -12.152 5.120 1.00 10.00 N ATOM 11 CA SER A 2 12.747 -12.923 4.293 1.00 10.00 C ATOM 12 C SER A 2 11.583 -13.597 5.043 1.00 10.00 C ATOM 13 O SER A 2 10.635 -14.062 4.408 1.00 10.00 O ATOM 14 CB SER A 2 13.504 -13.989 3.490 1.00 10.00 C ATOM 15 OG SER A 2 14.594 -13.406 2.787 1.00 10.00 O ATOM 0 H SER A 2 14.652 -12.519 5.056 1.00 10.00 H new ATOM 0 HA SER A 2 12.278 -12.175 3.654 1.00 10.00 H new ATOM 0 HB2 SER A 2 13.871 -14.765 4.161 1.00 10.00 H new ATOM 0 HB3 SER A 2 12.826 -14.471 2.786 1.00 10.00 H new ATOM 0 HG SER A 2 15.066 -14.100 2.282 1.00 10.00 H new ATOM 21 N HIS A 3 11.615 -13.645 6.379 1.00 10.00 N ATOM 22 CA HIS A 3 10.470 -14.048 7.211 1.00 10.00 C ATOM 23 C HIS A 3 9.262 -13.096 7.064 1.00 10.00 C ATOM 24 O HIS A 3 8.113 -13.517 7.225 1.00 10.00 O ATOM 25 CB HIS A 3 10.912 -14.123 8.682 1.00 10.00 C ATOM 26 CG HIS A 3 12.093 -15.034 8.924 1.00 10.00 C ATOM 27 ND1 HIS A 3 12.156 -16.385 8.658 1.00 10.00 N ATOM 28 CD2 HIS A 3 13.307 -14.672 9.447 1.00 10.00 C ATOM 29 CE1 HIS A 3 13.377 -16.827 9.006 1.00 10.00 C ATOM 30 NE2 HIS A 3 14.119 -15.815 9.494 1.00 10.00 N ATOM 0 H HIS A 3 12.444 -13.403 6.921 1.00 10.00 H new ATOM 0 HA HIS A 3 10.140 -15.028 6.866 1.00 10.00 H new ATOM 0 HB2 HIS A 3 11.164 -13.120 9.027 1.00 10.00 H new ATOM 0 HB3 HIS A 3 10.072 -14.466 9.286 1.00 10.00 H new ATOM 0 HD2 HIS A 3 13.589 -13.680 9.767 1.00 10.00 H new ATOM 0 HE1 HIS A 3 13.715 -17.848 8.908 1.00 10.00 H new ATOM 0 HE2 HIS A 3 15.080 -15.869 9.831 1.00 10.00 H new ATOM 38 N MET A 4 9.507 -11.820 6.735 1.00 10.00 N ATOM 39 CA MET A 4 8.481 -10.831 6.389 1.00 10.00 C ATOM 40 C MET A 4 7.953 -11.082 4.959 1.00 10.00 C ATOM 41 O MET A 4 8.764 -11.200 4.034 1.00 10.00 O ATOM 42 CB MET A 4 9.123 -9.436 6.484 1.00 10.00 C ATOM 43 CG MET A 4 8.115 -8.289 6.355 1.00 10.00 C ATOM 44 SD MET A 4 8.869 -6.665 6.066 1.00 10.00 S ATOM 45 CE MET A 4 9.848 -6.465 7.581 1.00 10.00 C ATOM 0 H MET A 4 10.452 -11.438 6.702 1.00 10.00 H new ATOM 0 HA MET A 4 7.636 -10.907 7.073 1.00 10.00 H new ATOM 0 HB2 MET A 4 9.642 -9.348 7.439 1.00 10.00 H new ATOM 0 HB3 MET A 4 9.876 -9.337 5.702 1.00 10.00 H new ATOM 0 HG2 MET A 4 7.432 -8.511 5.535 1.00 10.00 H new ATOM 0 HG3 MET A 4 7.516 -8.242 7.265 1.00 10.00 H new ATOM 0 HE1 MET A 4 10.315 -5.480 7.585 1.00 10.00 H new ATOM 0 HE2 MET A 4 9.197 -6.561 8.450 1.00 10.00 H new ATOM 0 HE3 MET A 4 10.620 -7.233 7.619 1.00 10.00 H new ATOM 55 N PRO A 5 6.625 -11.095 4.715 1.00 10.00 N ATOM 56 CA PRO A 5 6.071 -11.328 3.375 1.00 10.00 C ATOM 57 C PRO A 5 6.367 -10.186 2.389 1.00 10.00 C ATOM 58 O PRO A 5 6.394 -10.399 1.176 1.00 10.00 O ATOM 59 CB PRO A 5 4.564 -11.508 3.587 1.00 10.00 C ATOM 60 CG PRO A 5 4.284 -10.690 4.845 1.00 10.00 C ATOM 61 CD PRO A 5 5.549 -10.898 5.678 1.00 10.00 C ATOM 0 HA PRO A 5 6.533 -12.203 2.918 1.00 10.00 H new ATOM 0 HB2 PRO A 5 3.992 -11.143 2.734 1.00 10.00 H new ATOM 0 HB3 PRO A 5 4.300 -12.557 3.722 1.00 10.00 H new ATOM 0 HG2 PRO A 5 4.121 -9.637 4.614 1.00 10.00 H new ATOM 0 HG3 PRO A 5 3.394 -11.043 5.367 1.00 10.00 H new ATOM 0 HD2 PRO A 5 5.746 -10.035 6.314 1.00 10.00 H new ATOM 0 HD3 PRO A 5 5.448 -11.762 6.335 1.00 10.00 H new ATOM 69 N LEU A 6 6.609 -8.972 2.901 1.00 10.00 N ATOM 70 CA LEU A 6 6.841 -7.773 2.090 1.00 10.00 C ATOM 71 C LEU A 6 8.273 -7.681 1.532 1.00 10.00 C ATOM 72 O LEU A 6 8.518 -6.926 0.594 1.00 10.00 O ATOM 73 CB LEU A 6 6.486 -6.506 2.895 1.00 10.00 C ATOM 74 CG LEU A 6 5.170 -6.559 3.696 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.917 -5.203 4.345 1.00 10.00 C ATOM 76 CD2 LEU A 6 3.958 -6.915 2.835 1.00 10.00 C ATOM 0 H LEU A 6 6.649 -8.794 3.905 1.00 10.00 H new ATOM 0 HA LEU A 6 6.183 -7.850 1.224 1.00 10.00 H new ATOM 0 HB2 LEU A 6 7.302 -6.300 3.588 1.00 10.00 H new ATOM 0 HB3 LEU A 6 6.434 -5.664 2.205 1.00 10.00 H new ATOM 0 HG LEU A 6 5.289 -7.344 4.443 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.987 -5.239 4.912 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.741 -4.961 5.016 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.842 -4.438 3.572 1.00 10.00 H new ATOM 0 HD21 LEU A 6 3.063 -6.936 3.457 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.837 -6.168 2.051 1.00 10.00 H new ATOM 0 HD23 LEU A 6 4.108 -7.895 2.382 1.00 10.00 H new ATOM 88 N GLU A 7 9.220 -8.462 2.064 1.00 10.00 N ATOM 89 CA GLU A 7 10.611 -8.508 1.586 1.00 10.00 C ATOM 90 C GLU A 7 10.699 -8.898 0.099 1.00 10.00 C ATOM 91 O GLU A 7 11.484 -8.330 -0.657 1.00 10.00 O ATOM 92 CB GLU A 7 11.398 -9.503 2.459 1.00 10.00 C ATOM 93 CG GLU A 7 12.915 -9.487 2.222 1.00 10.00 C ATOM 94 CD GLU A 7 13.559 -8.202 2.765 1.00 10.00 C ATOM 95 OE1 GLU A 7 13.603 -7.188 2.032 1.00 10.00 O ATOM 96 OE2 GLU A 7 14.023 -8.206 3.930 1.00 10.00 O ATOM 0 H GLU A 7 9.042 -9.089 2.849 1.00 10.00 H new ATOM 0 HA GLU A 7 11.044 -7.511 1.671 1.00 10.00 H new ATOM 0 HB2 GLU A 7 11.203 -9.281 3.508 1.00 10.00 H new ATOM 0 HB3 GLU A 7 11.023 -10.509 2.271 1.00 10.00 H new ATOM 0 HG2 GLU A 7 13.368 -10.353 2.704 1.00 10.00 H new ATOM 0 HG3 GLU A 7 13.118 -9.573 1.155 1.00 10.00 H new ATOM 103 N PHE A 8 9.839 -9.818 -0.345 1.00 10.00 N ATOM 104 CA PHE A 8 9.765 -10.276 -1.736 1.00 10.00 C ATOM 105 C PHE A 8 9.219 -9.216 -2.716 1.00 10.00 C ATOM 106 O PHE A 8 9.350 -9.389 -3.930 1.00 10.00 O ATOM 107 CB PHE A 8 8.923 -11.561 -1.784 1.00 10.00 C ATOM 108 CG PHE A 8 9.455 -12.669 -0.888 1.00 10.00 C ATOM 109 CD1 PHE A 8 10.599 -13.396 -1.271 1.00 10.00 C ATOM 110 CD2 PHE A 8 8.832 -12.950 0.344 1.00 10.00 C ATOM 111 CE1 PHE A 8 11.117 -14.395 -0.425 1.00 10.00 C ATOM 112 CE2 PHE A 8 9.353 -13.946 1.190 1.00 10.00 C ATOM 113 CZ PHE A 8 10.495 -14.668 0.806 1.00 10.00 C ATOM 0 H PHE A 8 9.161 -10.275 0.264 1.00 10.00 H new ATOM 0 HA PHE A 8 10.783 -10.471 -2.074 1.00 10.00 H new ATOM 0 HB2 PHE A 8 7.900 -11.327 -1.490 1.00 10.00 H new ATOM 0 HB3 PHE A 8 8.885 -11.923 -2.812 1.00 10.00 H new ATOM 0 HD1 PHE A 8 11.080 -13.187 -2.215 1.00 10.00 H new ATOM 0 HD2 PHE A 8 7.952 -12.399 0.640 1.00 10.00 H new ATOM 0 HE1 PHE A 8 11.993 -14.952 -0.722 1.00 10.00 H new ATOM 0 HE2 PHE A 8 8.875 -14.156 2.135 1.00 10.00 H new ATOM 0 HZ PHE A 8 10.895 -15.432 1.456 1.00 10.00 H new ATOM 123 N LEU A 9 8.626 -8.122 -2.219 1.00 10.00 N ATOM 124 CA LEU A 9 8.024 -7.050 -3.027 1.00 10.00 C ATOM 125 C LEU A 9 9.030 -5.972 -3.466 1.00 10.00 C ATOM 126 O LEU A 9 8.782 -5.287 -4.456 1.00 10.00 O ATOM 127 CB LEU A 9 6.902 -6.358 -2.228 1.00 10.00 C ATOM 128 CG LEU A 9 5.824 -7.280 -1.632 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.894 -6.456 -0.742 1.00 10.00 C ATOM 130 CD2 LEU A 9 4.995 -7.977 -2.711 1.00 10.00 C ATOM 0 H LEU A 9 8.549 -7.953 -1.216 1.00 10.00 H new ATOM 0 HA LEU A 9 7.639 -7.533 -3.925 1.00 10.00 H new ATOM 0 HB2 LEU A 9 7.358 -5.794 -1.414 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.412 -5.636 -2.881 1.00 10.00 H new ATOM 0 HG LEU A 9 6.333 -8.052 -1.054 1.00 10.00 H new ATOM 0 HD11 LEU A 9 4.128 -7.105 -0.317 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.470 -6.000 0.063 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.419 -5.675 -1.336 1.00 10.00 H new ATOM 0 HD21 LEU A 9 4.248 -8.616 -2.240 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.496 -7.229 -3.326 1.00 10.00 H new ATOM 0 HD23 LEU A 9 5.649 -8.584 -3.337 1.00 10.00 H new ATOM 142 N ARG A 10 10.148 -5.823 -2.738 1.00 10.00 N ATOM 143 CA ARG A 10 11.055 -4.649 -2.672 1.00 10.00 C ATOM 144 C ARG A 10 11.443 -3.935 -3.981 1.00 10.00 C ATOM 145 O ARG A 10 11.719 -2.734 -3.946 1.00 10.00 O ATOM 146 CB ARG A 10 12.286 -5.029 -1.818 1.00 10.00 C ATOM 147 CG ARG A 10 13.156 -6.147 -2.428 1.00 10.00 C ATOM 148 CD ARG A 10 14.182 -6.701 -1.427 1.00 10.00 C ATOM 149 NE ARG A 10 15.341 -5.806 -1.265 1.00 10.00 N ATOM 150 CZ ARG A 10 15.734 -5.126 -0.207 1.00 10.00 C ATOM 151 NH1 ARG A 10 15.166 -5.195 0.963 1.00 10.00 N ATOM 152 NH2 ARG A 10 16.759 -4.339 -0.339 1.00 10.00 N ATOM 0 H ARG A 10 10.473 -6.575 -2.130 1.00 10.00 H new ATOM 0 HA ARG A 10 10.457 -3.866 -2.205 1.00 10.00 H new ATOM 0 HB2 ARG A 10 12.902 -4.142 -1.674 1.00 10.00 H new ATOM 0 HB3 ARG A 10 11.947 -5.345 -0.832 1.00 10.00 H new ATOM 0 HG2 ARG A 10 12.513 -6.957 -2.772 1.00 10.00 H new ATOM 0 HG3 ARG A 10 13.678 -5.761 -3.304 1.00 10.00 H new ATOM 0 HD2 ARG A 10 13.701 -6.848 -0.460 1.00 10.00 H new ATOM 0 HD3 ARG A 10 14.525 -7.679 -1.765 1.00 10.00 H new ATOM 0 HE ARG A 10 15.925 -5.697 -2.094 1.00 10.00 H new ATOM 0 HH11 ARG A 10 14.362 -5.806 1.104 1.00 10.00 H new ATOM 0 HH12 ARG A 10 15.526 -4.638 1.738 1.00 10.00 H new ATOM 0 HH21 ARG A 10 17.231 -4.263 -1.240 1.00 10.00 H new ATOM 0 HH22 ARG A 10 17.092 -3.797 0.458 1.00 10.00 H new ATOM 166 N ASN A 11 11.425 -4.619 -5.128 1.00 10.00 N ATOM 167 CA ASN A 11 11.669 -4.042 -6.462 1.00 10.00 C ATOM 168 C ASN A 11 10.802 -4.687 -7.578 1.00 10.00 C ATOM 169 O ASN A 11 11.162 -4.642 -8.754 1.00 10.00 O ATOM 170 CB ASN A 11 13.189 -4.133 -6.723 1.00 10.00 C ATOM 171 CG ASN A 11 13.673 -3.407 -7.973 1.00 10.00 C ATOM 172 OD1 ASN A 11 14.251 -3.998 -8.876 1.00 10.00 O ATOM 173 ND2 ASN A 11 13.478 -2.109 -8.082 1.00 10.00 N ATOM 0 H ASN A 11 11.235 -5.621 -5.160 1.00 10.00 H new ATOM 0 HA ASN A 11 11.355 -2.998 -6.483 1.00 10.00 H new ATOM 0 HB2 ASN A 11 13.716 -3.728 -5.859 1.00 10.00 H new ATOM 0 HB3 ASN A 11 13.467 -5.184 -6.801 1.00 10.00 H new ATOM 0 HD21 ASN A 11 13.807 -1.612 -8.910 1.00 10.00 H new ATOM 0 HD22 ASN A 11 12.998 -1.601 -7.339 1.00 10.00 H new ATOM 180 N GLN A 12 9.668 -5.311 -7.239 1.00 10.00 N ATOM 181 CA GLN A 12 8.784 -5.983 -8.209 1.00 10.00 C ATOM 182 C GLN A 12 8.084 -5.006 -9.185 1.00 10.00 C ATOM 183 O GLN A 12 7.894 -3.831 -8.845 1.00 10.00 O ATOM 184 CB GLN A 12 7.714 -6.798 -7.455 1.00 10.00 C ATOM 185 CG GLN A 12 8.274 -7.963 -6.622 1.00 10.00 C ATOM 186 CD GLN A 12 8.941 -9.083 -7.421 1.00 10.00 C ATOM 187 OE1 GLN A 12 8.864 -9.185 -8.639 1.00 10.00 O ATOM 188 NE2 GLN A 12 9.630 -9.978 -6.747 1.00 10.00 N ATOM 0 H GLN A 12 9.332 -5.366 -6.277 1.00 10.00 H new ATOM 0 HA GLN A 12 9.420 -6.633 -8.810 1.00 10.00 H new ATOM 0 HB2 GLN A 12 7.162 -6.128 -6.796 1.00 10.00 H new ATOM 0 HB3 GLN A 12 7.000 -7.194 -8.177 1.00 10.00 H new ATOM 0 HG2 GLN A 12 9.000 -7.564 -5.913 1.00 10.00 H new ATOM 0 HG3 GLN A 12 7.461 -8.392 -6.037 1.00 10.00 H new ATOM 0 HE21 GLN A 12 9.703 -9.907 -5.732 1.00 10.00 H new ATOM 0 HE22 GLN A 12 10.091 -10.743 -7.239 1.00 10.00 H new ATOM 197 N PRO A 13 7.628 -5.473 -10.368 1.00 10.00 N ATOM 198 CA PRO A 13 6.700 -4.738 -11.236 1.00 10.00 C ATOM 199 C PRO A 13 5.501 -4.147 -10.475 1.00 10.00 C ATOM 200 O PRO A 13 5.020 -4.741 -9.509 1.00 10.00 O ATOM 201 CB PRO A 13 6.254 -5.743 -12.304 1.00 10.00 C ATOM 202 CG PRO A 13 7.437 -6.700 -12.398 1.00 10.00 C ATOM 203 CD PRO A 13 7.913 -6.778 -10.950 1.00 10.00 C ATOM 0 HA PRO A 13 7.193 -3.870 -11.674 1.00 10.00 H new ATOM 0 HB2 PRO A 13 5.340 -6.260 -12.013 1.00 10.00 H new ATOM 0 HB3 PRO A 13 6.054 -5.255 -13.258 1.00 10.00 H new ATOM 0 HG2 PRO A 13 7.140 -7.676 -12.781 1.00 10.00 H new ATOM 0 HG3 PRO A 13 8.214 -6.321 -13.061 1.00 10.00 H new ATOM 0 HD2 PRO A 13 7.393 -7.569 -10.410 1.00 10.00 H new ATOM 0 HD3 PRO A 13 8.978 -7.004 -10.900 1.00 10.00 H new ATOM 211 N GLN A 14 5.045 -2.965 -10.904 1.00 10.00 N ATOM 212 CA GLN A 14 4.145 -2.006 -10.223 1.00 10.00 C ATOM 213 C GLN A 14 4.460 -1.621 -8.758 1.00 10.00 C ATOM 214 O GLN A 14 4.119 -0.511 -8.351 1.00 10.00 O ATOM 215 CB GLN A 14 2.657 -2.331 -10.461 1.00 10.00 C ATOM 216 CG GLN A 14 2.142 -3.633 -9.825 1.00 10.00 C ATOM 217 CD GLN A 14 0.617 -3.774 -9.887 1.00 10.00 C ATOM 218 OE1 GLN A 14 -0.069 -3.203 -10.728 1.00 10.00 O ATOM 219 NE2 GLN A 14 0.027 -4.542 -8.997 1.00 10.00 N ATOM 0 H GLN A 14 5.318 -2.616 -11.823 1.00 10.00 H new ATOM 0 HA GLN A 14 4.381 -1.072 -10.733 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.059 -1.503 -10.081 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.484 -2.382 -11.536 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.600 -4.483 -10.331 1.00 10.00 H new ATOM 0 HG3 GLN A 14 2.462 -3.672 -8.784 1.00 10.00 H new ATOM 0 HE21 GLN A 14 0.583 -5.024 -8.291 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -0.987 -4.656 -9.013 1.00 10.00 H new ATOM 228 N PHE A 15 5.190 -2.424 -7.978 1.00 10.00 N ATOM 229 CA PHE A 15 5.795 -1.998 -6.704 1.00 10.00 C ATOM 230 C PHE A 15 6.933 -0.979 -6.928 1.00 10.00 C ATOM 231 O PHE A 15 7.219 -0.146 -6.067 1.00 10.00 O ATOM 232 CB PHE A 15 6.260 -3.230 -5.911 1.00 10.00 C ATOM 233 CG PHE A 15 6.156 -3.061 -4.404 1.00 10.00 C ATOM 234 CD1 PHE A 15 4.900 -3.174 -3.777 1.00 10.00 C ATOM 235 CD2 PHE A 15 7.302 -2.826 -3.622 1.00 10.00 C ATOM 236 CE1 PHE A 15 4.793 -3.060 -2.380 1.00 10.00 C ATOM 237 CE2 PHE A 15 7.197 -2.720 -2.222 1.00 10.00 C ATOM 238 CZ PHE A 15 5.941 -2.834 -1.601 1.00 10.00 C ATOM 0 H PHE A 15 5.382 -3.398 -8.212 1.00 10.00 H new ATOM 0 HA PHE A 15 5.040 -1.481 -6.111 1.00 10.00 H new ATOM 0 HB2 PHE A 15 5.665 -4.092 -6.213 1.00 10.00 H new ATOM 0 HB3 PHE A 15 7.295 -3.450 -6.173 1.00 10.00 H new ATOM 0 HD1 PHE A 15 4.016 -3.349 -4.372 1.00 10.00 H new ATOM 0 HD2 PHE A 15 8.266 -2.727 -4.098 1.00 10.00 H new ATOM 0 HE1 PHE A 15 3.827 -3.146 -1.904 1.00 10.00 H new ATOM 0 HE2 PHE A 15 8.081 -2.551 -1.625 1.00 10.00 H new ATOM 0 HZ PHE A 15 5.858 -2.748 -0.528 1.00 10.00 H new ATOM 248 N GLN A 16 7.521 -0.973 -8.128 1.00 10.00 N ATOM 249 CA GLN A 16 8.340 0.108 -8.699 1.00 10.00 C ATOM 250 C GLN A 16 7.565 1.418 -9.000 1.00 10.00 C ATOM 251 O GLN A 16 8.179 2.391 -9.439 1.00 10.00 O ATOM 252 CB GLN A 16 8.990 -0.409 -10.000 1.00 10.00 C ATOM 253 CG GLN A 16 10.177 -1.354 -9.761 1.00 10.00 C ATOM 254 CD GLN A 16 10.789 -1.862 -11.071 1.00 10.00 C ATOM 255 OE1 GLN A 16 10.842 -1.178 -12.086 1.00 10.00 O ATOM 256 NE2 GLN A 16 11.277 -3.082 -11.117 1.00 10.00 N ATOM 0 H GLN A 16 7.435 -1.765 -8.765 1.00 10.00 H new ATOM 0 HA GLN A 16 9.080 0.370 -7.943 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.236 -0.929 -10.591 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.327 0.442 -10.591 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.941 -0.835 -9.183 1.00 10.00 H new ATOM 0 HG3 GLN A 16 9.847 -2.204 -9.163 1.00 10.00 H new ATOM 0 HE21 GLN A 16 11.247 -3.675 -10.288 1.00 10.00 H new ATOM 0 HE22 GLN A 16 11.686 -3.436 -11.982 1.00 10.00 H new ATOM 265 N GLN A 17 6.239 1.472 -8.804 1.00 10.00 N ATOM 266 CA GLN A 17 5.392 2.600 -9.234 1.00 10.00 C ATOM 267 C GLN A 17 4.442 3.107 -8.139 1.00 10.00 C ATOM 268 O GLN A 17 4.449 4.301 -7.844 1.00 10.00 O ATOM 269 CB GLN A 17 4.593 2.202 -10.492 1.00 10.00 C ATOM 270 CG GLN A 17 5.487 1.777 -11.668 1.00 10.00 C ATOM 271 CD GLN A 17 4.670 1.488 -12.926 1.00 10.00 C ATOM 272 OE1 GLN A 17 4.008 0.465 -13.047 1.00 10.00 O ATOM 273 NE2 GLN A 17 4.681 2.363 -13.912 1.00 10.00 N ATOM 0 H GLN A 17 5.718 0.729 -8.339 1.00 10.00 H new ATOM 0 HA GLN A 17 6.064 3.428 -9.460 1.00 10.00 H new ATOM 0 HB2 GLN A 17 3.919 1.383 -10.242 1.00 10.00 H new ATOM 0 HB3 GLN A 17 3.972 3.043 -10.801 1.00 10.00 H new ATOM 0 HG2 GLN A 17 6.211 2.565 -11.878 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.054 0.888 -11.391 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.227 3.220 -13.827 1.00 10.00 H new ATOM 0 HE22 GLN A 17 4.143 2.183 -14.760 1.00 10.00 H new ATOM 282 N MET A 18 3.656 2.237 -7.489 1.00 10.00 N ATOM 283 CA MET A 18 2.617 2.633 -6.525 1.00 10.00 C ATOM 284 C MET A 18 3.147 3.416 -5.316 1.00 10.00 C ATOM 285 O MET A 18 2.503 4.353 -4.851 1.00 10.00 O ATOM 286 CB MET A 18 1.826 1.388 -6.103 1.00 10.00 C ATOM 287 CG MET A 18 2.644 0.365 -5.290 1.00 10.00 C ATOM 288 SD MET A 18 1.764 -1.137 -4.773 1.00 10.00 S ATOM 289 CE MET A 18 1.518 -1.969 -6.365 1.00 10.00 C ATOM 0 H MET A 18 3.724 1.228 -7.619 1.00 10.00 H new ATOM 0 HA MET A 18 1.955 3.338 -7.029 1.00 10.00 H new ATOM 0 HB2 MET A 18 0.966 1.701 -5.511 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.437 0.898 -6.996 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.508 0.068 -5.884 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.025 0.863 -4.398 1.00 10.00 H new ATOM 0 HE1 MET A 18 0.451 -2.085 -6.554 1.00 10.00 H new ATOM 0 HE2 MET A 18 1.964 -1.372 -7.160 1.00 10.00 H new ATOM 0 HE3 MET A 18 1.991 -2.951 -6.339 1.00 10.00 H new ATOM 299 N ARG A 19 4.359 3.095 -4.848 1.00 10.00 N ATOM 300 CA ARG A 19 5.027 3.782 -3.727 1.00 10.00 C ATOM 301 C ARG A 19 5.413 5.215 -4.069 1.00 10.00 C ATOM 302 O ARG A 19 5.294 6.099 -3.228 1.00 10.00 O ATOM 303 CB ARG A 19 6.282 2.995 -3.325 1.00 10.00 C ATOM 304 CG ARG A 19 5.948 1.540 -2.976 1.00 10.00 C ATOM 305 CD ARG A 19 7.176 0.848 -2.370 1.00 10.00 C ATOM 306 NE ARG A 19 8.097 0.409 -3.433 1.00 10.00 N ATOM 307 CZ ARG A 19 9.338 -0.017 -3.315 1.00 10.00 C ATOM 308 NH1 ARG A 19 10.018 0.043 -2.209 1.00 10.00 N ATOM 309 NH2 ARG A 19 9.921 -0.550 -4.348 1.00 10.00 N ATOM 0 H ARG A 19 4.916 2.337 -5.242 1.00 10.00 H new ATOM 0 HA ARG A 19 4.319 3.825 -2.899 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.003 3.017 -4.142 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.755 3.476 -2.469 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.118 1.508 -2.270 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.626 1.008 -3.871 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.690 1.532 -1.695 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.861 -0.010 -1.776 1.00 10.00 H new ATOM 0 HE ARG A 19 7.726 0.439 -4.383 1.00 10.00 H new ATOM 0 HH11 ARG A 19 9.593 0.437 -1.370 1.00 10.00 H new ATOM 0 HH12 ARG A 19 10.977 -0.304 -2.180 1.00 10.00 H new ATOM 0 HH21 ARG A 19 9.418 -0.633 -5.231 1.00 10.00 H new ATOM 0 HH22 ARG A 19 10.882 -0.885 -4.275 1.00 10.00 H new ATOM 323 N GLN A 20 5.798 5.458 -5.319 1.00 10.00 N ATOM 324 CA GLN A 20 6.098 6.802 -5.829 1.00 10.00 C ATOM 325 C GLN A 20 4.881 7.733 -5.769 1.00 10.00 C ATOM 326 O GLN A 20 5.033 8.939 -5.579 1.00 10.00 O ATOM 327 CB GLN A 20 6.628 6.737 -7.272 1.00 10.00 C ATOM 328 CG GLN A 20 8.059 7.286 -7.390 1.00 10.00 C ATOM 329 CD GLN A 20 8.145 8.789 -7.121 1.00 10.00 C ATOM 330 OE1 GLN A 20 7.757 9.615 -7.938 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.649 9.207 -5.979 1.00 10.00 N ATOM 0 H GLN A 20 5.913 4.723 -6.017 1.00 10.00 H new ATOM 0 HA GLN A 20 6.869 7.215 -5.179 1.00 10.00 H new ATOM 0 HB2 GLN A 20 6.607 5.704 -7.619 1.00 10.00 H new ATOM 0 HB3 GLN A 20 5.967 7.306 -7.926 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.704 6.759 -6.687 1.00 10.00 H new ATOM 0 HG3 GLN A 20 8.441 7.079 -8.390 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.976 8.532 -5.288 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.712 10.206 -5.785 1.00 10.00 H new ATOM 340 N ILE A 21 3.674 7.176 -5.904 1.00 10.00 N ATOM 341 CA ILE A 21 2.412 7.910 -5.781 1.00 10.00 C ATOM 342 C ILE A 21 2.217 8.378 -4.329 1.00 10.00 C ATOM 343 O ILE A 21 1.840 9.519 -4.067 1.00 10.00 O ATOM 344 CB ILE A 21 1.211 7.035 -6.229 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.536 6.251 -7.519 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.022 7.936 -6.408 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.381 5.429 -8.103 1.00 10.00 C ATOM 0 H ILE A 21 3.545 6.184 -6.105 1.00 10.00 H new ATOM 0 HA ILE A 21 2.457 8.781 -6.435 1.00 10.00 H new ATOM 0 HB ILE A 21 1.000 6.291 -5.461 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.875 6.958 -8.277 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.369 5.579 -7.314 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.872 7.331 -6.723 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.255 8.425 -5.462 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.186 8.691 -7.166 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.717 4.919 -9.006 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.053 4.691 -7.371 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.449 6.091 -8.348 1.00 10.00 H new ATOM 359 N ILE A 22 2.537 7.507 -3.371 1.00 10.00 N ATOM 360 CA ILE A 22 2.411 7.776 -1.928 1.00 10.00 C ATOM 361 C ILE A 22 3.502 8.739 -1.431 1.00 10.00 C ATOM 362 O ILE A 22 3.238 9.607 -0.602 1.00 10.00 O ATOM 363 CB ILE A 22 2.431 6.453 -1.133 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.421 5.397 -1.639 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.163 6.713 0.357 1.00 10.00 C ATOM 366 CD1 ILE A 22 0.031 5.937 -1.998 1.00 10.00 C ATOM 0 H ILE A 22 2.899 6.575 -3.575 1.00 10.00 H new ATOM 0 HA ILE A 22 1.452 8.267 -1.760 1.00 10.00 H new ATOM 0 HB ILE A 22 3.430 6.045 -1.285 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.841 4.909 -2.518 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.308 4.630 -0.873 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.181 5.768 0.900 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.932 7.375 0.755 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.185 7.180 0.475 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.600 5.117 -2.341 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.419 6.398 -1.118 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.123 6.680 -2.790 1.00 10.00 H new ATOM 378 N GLN A 23 4.711 8.641 -1.988 1.00 10.00 N ATOM 379 CA GLN A 23 5.856 9.526 -1.725 1.00 10.00 C ATOM 380 C GLN A 23 5.609 11.014 -2.065 1.00 10.00 C ATOM 381 O GLN A 23 6.398 11.871 -1.658 1.00 10.00 O ATOM 382 CB GLN A 23 7.069 8.977 -2.496 1.00 10.00 C ATOM 383 CG GLN A 23 7.686 7.740 -1.816 1.00 10.00 C ATOM 384 CD GLN A 23 8.630 6.948 -2.723 1.00 10.00 C ATOM 385 OE1 GLN A 23 9.067 7.385 -3.783 1.00 10.00 O ATOM 386 NE2 GLN A 23 8.971 5.736 -2.350 1.00 10.00 N ATOM 0 H GLN A 23 4.932 7.911 -2.665 1.00 10.00 H new ATOM 0 HA GLN A 23 6.035 9.521 -0.650 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.764 8.717 -3.510 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.826 9.757 -2.581 1.00 10.00 H new ATOM 0 HG2 GLN A 23 8.232 8.059 -0.928 1.00 10.00 H new ATOM 0 HG3 GLN A 23 6.884 7.083 -1.479 1.00 10.00 H new ATOM 0 HE21 GLN A 23 8.618 5.354 -1.472 1.00 10.00 H new ATOM 0 HE22 GLN A 23 9.589 5.176 -2.938 1.00 10.00 H new ATOM 395 N GLN A 24 4.514 11.341 -2.768 1.00 10.00 N ATOM 396 CA GLN A 24 4.107 12.694 -3.144 1.00 10.00 C ATOM 397 C GLN A 24 2.662 13.042 -2.739 1.00 10.00 C ATOM 398 O GLN A 24 2.351 14.206 -2.476 1.00 10.00 O ATOM 399 CB GLN A 24 4.324 12.839 -4.650 1.00 10.00 C ATOM 400 CG GLN A 24 3.424 11.990 -5.556 1.00 10.00 C ATOM 401 CD GLN A 24 3.869 12.063 -7.014 1.00 10.00 C ATOM 402 OE1 GLN A 24 3.532 12.976 -7.757 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.651 11.109 -7.471 1.00 10.00 N ATOM 0 H GLN A 24 3.861 10.633 -3.103 1.00 10.00 H new ATOM 0 HA GLN A 24 4.719 13.409 -2.594 1.00 10.00 H new ATOM 0 HB2 GLN A 24 4.184 13.887 -4.915 1.00 10.00 H new ATOM 0 HB3 GLN A 24 5.362 12.590 -4.871 1.00 10.00 H new ATOM 0 HG2 GLN A 24 3.443 10.953 -5.220 1.00 10.00 H new ATOM 0 HG3 GLN A 24 2.393 12.334 -5.472 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.936 10.345 -6.858 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.973 11.133 -8.439 1.00 10.00 H new ATOM 412 N ASN A 25 1.802 12.029 -2.618 1.00 10.00 N ATOM 413 CA ASN A 25 0.439 12.108 -2.089 1.00 10.00 C ATOM 414 C ASN A 25 0.186 11.000 -1.043 1.00 10.00 C ATOM 415 O ASN A 25 -0.461 9.992 -1.345 1.00 10.00 O ATOM 416 CB ASN A 25 -0.583 12.108 -3.244 1.00 10.00 C ATOM 417 CG ASN A 25 -0.891 13.514 -3.721 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.504 13.941 -4.799 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.605 14.275 -2.918 1.00 10.00 N ATOM 0 H ASN A 25 2.051 11.081 -2.901 1.00 10.00 H new ATOM 0 HA ASN A 25 0.311 13.052 -1.559 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.193 11.519 -4.074 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.503 11.625 -2.915 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -1.839 15.229 -3.194 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -1.924 13.911 -2.020 1.00 10.00 H new ATOM 426 N PRO A 26 0.661 11.170 0.207 1.00 10.00 N ATOM 427 CA PRO A 26 0.422 10.211 1.289 1.00 10.00 C ATOM 428 C PRO A 26 -1.065 10.087 1.667 1.00 10.00 C ATOM 429 O PRO A 26 -1.488 9.056 2.191 1.00 10.00 O ATOM 430 CB PRO A 26 1.282 10.696 2.459 1.00 10.00 C ATOM 431 CG PRO A 26 1.397 12.198 2.218 1.00 10.00 C ATOM 432 CD PRO A 26 1.450 12.294 0.699 1.00 10.00 C ATOM 0 HA PRO A 26 0.695 9.202 0.981 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.813 10.478 3.419 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.260 10.214 2.465 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.544 12.740 2.628 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.292 12.614 2.681 1.00 10.00 H new ATOM 0 HD2 PRO A 26 1.040 13.242 0.352 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.477 12.240 0.338 1.00 10.00 H new ATOM 440 N SER A 27 -1.882 11.087 1.320 1.00 10.00 N ATOM 441 CA SER A 27 -3.351 11.045 1.356 1.00 10.00 C ATOM 442 C SER A 27 -3.980 9.906 0.533 1.00 10.00 C ATOM 443 O SER A 27 -5.124 9.530 0.793 1.00 10.00 O ATOM 444 CB SER A 27 -3.906 12.393 0.879 1.00 10.00 C ATOM 445 OG SER A 27 -3.349 12.768 -0.377 1.00 10.00 O ATOM 0 H SER A 27 -1.525 11.985 0.993 1.00 10.00 H new ATOM 0 HA SER A 27 -3.624 10.845 2.392 1.00 10.00 H new ATOM 0 HB2 SER A 27 -4.991 12.332 0.794 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.687 13.162 1.620 1.00 10.00 H new ATOM 0 HG SER A 27 -3.722 13.630 -0.656 1.00 10.00 H new ATOM 451 N LEU A 28 -3.240 9.316 -0.417 1.00 10.00 N ATOM 452 CA LEU A 28 -3.682 8.188 -1.246 1.00 10.00 C ATOM 453 C LEU A 28 -3.135 6.825 -0.782 1.00 10.00 C ATOM 454 O LEU A 28 -3.389 5.819 -1.440 1.00 10.00 O ATOM 455 CB LEU A 28 -3.334 8.456 -2.724 1.00 10.00 C ATOM 456 CG LEU A 28 -3.973 9.717 -3.335 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.675 9.731 -4.834 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.493 9.781 -3.165 1.00 10.00 C ATOM 0 H LEU A 28 -2.291 9.620 -0.635 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.764 8.118 -1.132 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.251 8.537 -2.816 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.640 7.592 -3.314 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.547 10.571 -2.809 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.120 10.618 -5.285 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.596 9.747 -4.990 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.096 8.838 -5.297 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -5.872 10.696 -3.620 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -5.950 8.919 -3.650 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.741 9.774 -2.104 1.00 10.00 H new ATOM 470 N LEU A 29 -2.433 6.745 0.356 1.00 10.00 N ATOM 471 CA LEU A 29 -2.088 5.466 0.995 1.00 10.00 C ATOM 472 C LEU A 29 -3.332 4.576 1.233 1.00 10.00 C ATOM 473 O LEU A 29 -3.343 3.444 0.739 1.00 10.00 O ATOM 474 CB LEU A 29 -1.262 5.745 2.266 1.00 10.00 C ATOM 475 CG LEU A 29 -0.900 4.507 3.106 1.00 10.00 C ATOM 476 CD1 LEU A 29 -0.184 3.439 2.283 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.012 4.913 4.263 1.00 10.00 C ATOM 0 H LEU A 29 -2.088 7.562 0.859 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.466 4.877 0.321 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.340 6.248 1.976 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.819 6.439 2.895 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.837 4.089 3.475 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.051 2.586 2.919 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.829 3.116 1.466 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.739 3.852 1.875 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.264 4.032 4.854 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.925 5.359 3.868 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.502 5.638 4.894 1.00 10.00 H new ATOM 489 N PRO A 30 -4.414 5.075 1.870 1.00 10.00 N ATOM 490 CA PRO A 30 -5.701 4.379 1.940 1.00 10.00 C ATOM 491 C PRO A 30 -6.197 3.878 0.587 1.00 10.00 C ATOM 492 O PRO A 30 -6.571 2.718 0.428 1.00 10.00 O ATOM 493 CB PRO A 30 -6.697 5.398 2.502 1.00 10.00 C ATOM 494 CG PRO A 30 -5.866 6.468 3.193 1.00 10.00 C ATOM 495 CD PRO A 30 -4.444 6.297 2.665 1.00 10.00 C ATOM 0 HA PRO A 30 -5.595 3.490 2.562 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.303 5.830 1.706 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.384 4.925 3.204 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.248 7.464 2.971 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.898 6.349 4.276 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.155 7.156 2.059 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.734 6.235 3.490 1.00 10.00 H new ATOM 503 N ALA A 31 -6.155 4.765 -0.402 1.00 10.00 N ATOM 504 CA ALA A 31 -6.595 4.518 -1.764 1.00 10.00 C ATOM 505 C ALA A 31 -5.729 3.490 -2.529 1.00 10.00 C ATOM 506 O ALA A 31 -6.179 2.969 -3.551 1.00 10.00 O ATOM 507 CB ALA A 31 -6.667 5.882 -2.457 1.00 10.00 C ATOM 0 H ALA A 31 -5.799 5.711 -0.268 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.576 4.042 -1.753 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.995 5.749 -3.488 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.376 6.521 -1.930 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.682 6.348 -2.446 1.00 10.00 H new ATOM 513 N LEU A 32 -4.531 3.139 -2.032 1.00 10.00 N ATOM 514 CA LEU A 32 -3.684 2.095 -2.615 1.00 10.00 C ATOM 515 C LEU A 32 -3.916 0.761 -1.907 1.00 10.00 C ATOM 516 O LEU A 32 -4.054 -0.264 -2.567 1.00 10.00 O ATOM 517 CB LEU A 32 -2.219 2.534 -2.502 1.00 10.00 C ATOM 518 CG LEU A 32 -1.178 1.508 -2.984 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.439 1.051 -4.421 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.219 2.127 -2.882 1.00 10.00 C ATOM 0 H LEU A 32 -4.123 3.578 -1.207 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.937 1.954 -3.666 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.089 3.453 -3.074 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -2.010 2.775 -1.460 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.252 0.627 -2.346 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.679 0.328 -4.717 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.424 0.588 -4.482 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.400 1.911 -5.089 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.962 1.406 -3.222 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.268 3.020 -3.506 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.423 2.397 -1.846 1.00 10.00 H new ATOM 532 N LEU A 33 -4.055 0.776 -0.581 1.00 10.00 N ATOM 533 CA LEU A 33 -4.492 -0.381 0.203 1.00 10.00 C ATOM 534 C LEU A 33 -5.852 -0.896 -0.300 1.00 10.00 C ATOM 535 O LEU A 33 -6.010 -2.086 -0.573 1.00 10.00 O ATOM 536 CB LEU A 33 -4.551 0.031 1.682 1.00 10.00 C ATOM 537 CG LEU A 33 -3.168 0.349 2.281 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.309 1.357 3.416 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.503 -0.918 2.814 1.00 10.00 C ATOM 0 H LEU A 33 -3.865 1.602 -0.014 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.784 -1.202 0.089 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -5.193 0.906 1.783 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -5.013 -0.771 2.257 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.546 0.769 1.491 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.326 1.575 3.833 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.753 2.276 3.033 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.949 0.941 4.194 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.528 -0.669 3.232 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -3.129 -1.358 3.590 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.377 -1.633 2.001 1.00 10.00 H new ATOM 551 N GLN A 34 -6.803 0.014 -0.540 1.00 10.00 N ATOM 552 CA GLN A 34 -8.076 -0.308 -1.189 1.00 10.00 C ATOM 553 C GLN A 34 -7.885 -0.934 -2.578 1.00 10.00 C ATOM 554 O GLN A 34 -8.620 -1.863 -2.918 1.00 10.00 O ATOM 555 CB GLN A 34 -8.947 0.958 -1.291 1.00 10.00 C ATOM 556 CG GLN A 34 -9.591 1.365 0.047 1.00 10.00 C ATOM 557 CD GLN A 34 -10.660 0.384 0.532 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.440 -0.169 -0.236 1.00 10.00 O ATOM 559 NE2 GLN A 34 -10.737 0.112 1.816 1.00 10.00 N ATOM 0 H GLN A 34 -6.709 0.998 -0.288 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.578 -1.052 -0.570 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.335 1.783 -1.657 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -9.732 0.792 -2.028 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -8.813 1.447 0.806 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -10.038 2.354 -0.059 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -10.098 0.561 2.472 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -11.436 -0.548 2.156 1.00 10.00 H new ATOM 568 N GLN A 35 -6.900 -0.487 -3.371 1.00 10.00 N ATOM 569 CA GLN A 35 -6.705 -0.985 -4.731 1.00 10.00 C ATOM 570 C GLN A 35 -6.033 -2.360 -4.733 1.00 10.00 C ATOM 571 O GLN A 35 -6.433 -3.229 -5.504 1.00 10.00 O ATOM 572 CB GLN A 35 -5.908 0.054 -5.533 1.00 10.00 C ATOM 573 CG GLN A 35 -5.552 -0.417 -6.949 1.00 10.00 C ATOM 574 CD GLN A 35 -6.758 -0.765 -7.824 1.00 10.00 C ATOM 575 OE1 GLN A 35 -7.784 -0.096 -7.829 1.00 10.00 O ATOM 576 NE2 GLN A 35 -6.686 -1.826 -8.599 1.00 10.00 N ATOM 0 H GLN A 35 -6.225 0.223 -3.087 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.674 -1.125 -5.209 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.487 0.975 -5.599 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.990 0.292 -4.995 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.974 0.364 -7.443 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -4.908 -1.293 -6.876 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -5.839 -2.395 -8.608 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -7.477 -2.080 -9.191 1.00 10.00 H new ATOM 585 N ILE A 36 -5.085 -2.605 -3.826 1.00 10.00 N ATOM 586 CA ILE A 36 -4.533 -3.941 -3.583 1.00 10.00 C ATOM 587 C ILE A 36 -5.668 -4.906 -3.205 1.00 10.00 C ATOM 588 O ILE A 36 -5.740 -5.999 -3.755 1.00 10.00 O ATOM 589 CB ILE A 36 -3.413 -3.884 -2.528 1.00 10.00 C ATOM 590 CG1 ILE A 36 -2.231 -3.015 -3.024 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.894 -5.308 -2.220 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.385 -2.478 -1.867 1.00 10.00 C ATOM 0 H ILE A 36 -4.676 -1.880 -3.237 1.00 10.00 H new ATOM 0 HA ILE A 36 -4.072 -4.323 -4.494 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.829 -3.439 -1.624 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.601 -3.606 -3.689 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.616 -2.180 -3.609 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -2.102 -5.253 -1.473 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.712 -5.919 -1.838 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.501 -5.757 -3.132 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.568 -1.875 -2.263 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -2.007 -1.864 -1.216 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.976 -3.312 -1.297 1.00 10.00 H new ATOM 604 N GLY A 37 -6.637 -4.486 -2.381 1.00 10.00 N ATOM 605 CA GLY A 37 -7.844 -5.273 -2.096 1.00 10.00 C ATOM 606 C GLY A 37 -8.739 -5.591 -3.313 1.00 10.00 C ATOM 607 O GLY A 37 -9.498 -6.559 -3.260 1.00 10.00 O ATOM 0 H GLY A 37 -6.606 -3.591 -1.893 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.542 -6.213 -1.635 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.441 -4.735 -1.360 1.00 10.00 H new ATOM 611 N ARG A 38 -8.646 -4.833 -4.422 1.00 10.00 N ATOM 612 CA ARG A 38 -9.357 -5.109 -5.692 1.00 10.00 C ATOM 613 C ARG A 38 -8.670 -6.140 -6.603 1.00 10.00 C ATOM 614 O ARG A 38 -9.314 -6.638 -7.526 1.00 10.00 O ATOM 615 CB ARG A 38 -9.589 -3.808 -6.485 1.00 10.00 C ATOM 616 CG ARG A 38 -10.409 -2.730 -5.760 1.00 10.00 C ATOM 617 CD ARG A 38 -11.677 -3.252 -5.070 1.00 10.00 C ATOM 618 NE ARG A 38 -12.528 -2.159 -4.551 1.00 10.00 N ATOM 619 CZ ARG A 38 -12.435 -1.563 -3.375 1.00 10.00 C ATOM 620 NH1 ARG A 38 -11.444 -1.760 -2.557 1.00 10.00 N ATOM 621 NH2 ARG A 38 -13.350 -0.729 -2.974 1.00 10.00 N ATOM 0 H ARG A 38 -8.065 -3.996 -4.465 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.306 -5.549 -5.387 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.619 -3.386 -6.749 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -10.093 -4.057 -7.419 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.776 -2.250 -5.014 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.692 -1.962 -6.479 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -12.251 -3.851 -5.777 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -11.395 -3.911 -4.248 1.00 10.00 H new ATOM 0 HE ARG A 38 -13.269 -1.829 -5.169 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -10.691 -2.399 -2.812 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -11.419 -1.275 -1.660 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -14.153 -0.528 -3.570 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -13.264 -0.277 -2.064 1.00 10.00 H new ATOM 635 N GLU A 39 -7.395 -6.471 -6.371 1.00 10.00 N ATOM 636 CA GLU A 39 -6.582 -7.287 -7.303 1.00 10.00 C ATOM 637 C GLU A 39 -5.722 -8.381 -6.640 1.00 10.00 C ATOM 638 O GLU A 39 -5.415 -9.398 -7.266 1.00 10.00 O ATOM 639 CB GLU A 39 -5.735 -6.354 -8.182 1.00 10.00 C ATOM 640 CG GLU A 39 -4.594 -5.659 -7.434 1.00 10.00 C ATOM 641 CD GLU A 39 -3.882 -4.637 -8.339 1.00 10.00 C ATOM 642 OE1 GLU A 39 -4.433 -3.532 -8.565 1.00 10.00 O ATOM 643 OE2 GLU A 39 -2.766 -4.936 -8.829 1.00 10.00 O ATOM 0 H GLU A 39 -6.890 -6.184 -5.533 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.286 -7.850 -7.915 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -5.317 -6.930 -9.007 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -6.384 -5.595 -8.619 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -4.987 -5.156 -6.551 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -3.877 -6.402 -7.085 1.00 10.00 H new ATOM 650 N ASN A 40 -5.382 -8.203 -5.364 1.00 10.00 N ATOM 651 CA ASN A 40 -4.735 -9.182 -4.493 1.00 10.00 C ATOM 652 C ASN A 40 -5.194 -9.007 -3.023 1.00 10.00 C ATOM 653 O ASN A 40 -4.420 -8.546 -2.178 1.00 10.00 O ATOM 654 CB ASN A 40 -3.200 -9.105 -4.641 1.00 10.00 C ATOM 655 CG ASN A 40 -2.547 -10.410 -4.215 1.00 10.00 C ATOM 656 OD1 ASN A 40 -3.034 -11.126 -3.352 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.435 -10.774 -4.811 1.00 10.00 N ATOM 0 H ASN A 40 -5.561 -7.321 -4.884 1.00 10.00 H new ATOM 0 HA ASN A 40 -5.041 -10.182 -4.801 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -2.941 -8.886 -5.677 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.813 -8.286 -4.035 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -0.982 -11.651 -4.553 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.025 -10.180 -5.532 1.00 10.00 H new ATOM 664 N PRO A 41 -6.443 -9.367 -2.668 1.00 10.00 N ATOM 665 CA PRO A 41 -6.940 -9.260 -1.292 1.00 10.00 C ATOM 666 C PRO A 41 -6.153 -10.107 -0.275 1.00 10.00 C ATOM 667 O PRO A 41 -6.219 -9.846 0.927 1.00 10.00 O ATOM 668 CB PRO A 41 -8.423 -9.639 -1.363 1.00 10.00 C ATOM 669 CG PRO A 41 -8.498 -10.546 -2.585 1.00 10.00 C ATOM 670 CD PRO A 41 -7.476 -9.920 -3.531 1.00 10.00 C ATOM 0 HA PRO A 41 -6.803 -8.247 -0.915 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.750 -10.154 -0.460 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.057 -8.760 -1.476 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.244 -11.577 -2.340 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.498 -10.558 -3.019 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -7.063 -10.664 -4.212 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.932 -9.144 -4.145 1.00 10.00 H new ATOM 678 N GLN A 42 -5.370 -11.089 -0.729 1.00 10.00 N ATOM 679 CA GLN A 42 -4.460 -11.880 0.109 1.00 10.00 C ATOM 680 C GLN A 42 -3.172 -11.113 0.435 1.00 10.00 C ATOM 681 O GLN A 42 -2.717 -11.129 1.580 1.00 10.00 O ATOM 682 CB GLN A 42 -4.107 -13.188 -0.610 1.00 10.00 C ATOM 683 CG GLN A 42 -5.369 -13.966 -1.013 1.00 10.00 C ATOM 684 CD GLN A 42 -5.065 -15.361 -1.565 1.00 10.00 C ATOM 685 OE1 GLN A 42 -4.093 -15.596 -2.273 1.00 10.00 O ATOM 686 NE2 GLN A 42 -5.883 -16.350 -1.264 1.00 10.00 N ATOM 0 H GLN A 42 -5.349 -11.364 -1.711 1.00 10.00 H new ATOM 0 HA GLN A 42 -4.971 -12.091 1.048 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.515 -12.968 -1.498 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -3.489 -13.807 0.040 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -6.023 -14.060 -0.146 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -5.915 -13.396 -1.764 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.698 -16.177 -0.676 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -5.701 -17.289 -1.619 1.00 10.00 H new ATOM 695 N LEU A 43 -2.597 -10.397 -0.539 1.00 10.00 N ATOM 696 CA LEU A 43 -1.522 -9.430 -0.293 1.00 10.00 C ATOM 697 C LEU A 43 -2.006 -8.284 0.597 1.00 10.00 C ATOM 698 O LEU A 43 -1.244 -7.777 1.414 1.00 10.00 O ATOM 699 CB LEU A 43 -1.024 -8.859 -1.632 1.00 10.00 C ATOM 700 CG LEU A 43 0.219 -7.962 -1.531 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.384 -8.632 -0.801 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.682 -7.560 -2.931 1.00 10.00 C ATOM 0 H LEU A 43 -2.865 -10.472 -1.520 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.709 -9.946 0.218 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.802 -9.688 -2.304 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.831 -8.286 -2.089 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.075 -7.088 -0.950 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.231 -7.947 -0.763 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.079 -8.888 0.213 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.673 -9.538 -1.333 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.564 -6.924 -2.854 1.00 10.00 H new ATOM 0 HD22 LEU A 43 0.929 -8.454 -3.503 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.116 -7.015 -3.435 1.00 10.00 H new ATOM 714 N LEU A 44 -3.278 -7.899 0.465 1.00 10.00 N ATOM 715 CA LEU A 44 -3.846 -6.790 1.245 1.00 10.00 C ATOM 716 C LEU A 44 -3.898 -7.143 2.735 1.00 10.00 C ATOM 717 O LEU A 44 -3.334 -6.452 3.582 1.00 10.00 O ATOM 718 CB LEU A 44 -5.248 -6.457 0.707 1.00 10.00 C ATOM 719 CG LEU A 44 -5.848 -5.104 1.134 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.898 -5.258 2.222 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.849 -4.029 1.569 1.00 10.00 C ATOM 0 H LEU A 44 -3.938 -8.339 -0.176 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.208 -5.913 1.140 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.210 -6.484 -0.382 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.930 -7.247 1.022 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.298 -4.748 0.207 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.291 -4.277 2.489 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.710 -5.888 1.858 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.447 -5.720 3.100 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.387 -3.123 1.846 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.278 -4.388 2.425 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -4.169 -3.810 0.746 1.00 10.00 H new ATOM 733 N GLN A 45 -4.518 -8.285 3.023 1.00 10.00 N ATOM 734 CA GLN A 45 -4.541 -8.909 4.355 1.00 10.00 C ATOM 735 C GLN A 45 -3.138 -9.194 4.935 1.00 10.00 C ATOM 736 O GLN A 45 -2.964 -9.183 6.152 1.00 10.00 O ATOM 737 CB GLN A 45 -5.383 -10.192 4.307 1.00 10.00 C ATOM 738 CG GLN A 45 -6.884 -9.881 4.196 1.00 10.00 C ATOM 739 CD GLN A 45 -7.700 -11.140 3.918 1.00 10.00 C ATOM 740 OE1 GLN A 45 -8.246 -11.780 4.809 1.00 10.00 O ATOM 741 NE2 GLN A 45 -7.807 -11.542 2.669 1.00 10.00 N ATOM 0 H GLN A 45 -5.033 -8.820 2.323 1.00 10.00 H new ATOM 0 HA GLN A 45 -4.995 -8.188 5.034 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.073 -10.799 3.457 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.199 -10.782 5.205 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.230 -9.420 5.121 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.048 -9.157 3.398 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -7.355 -11.014 1.923 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.342 -12.382 2.448 1.00 10.00 H new ATOM 750 N GLN A 46 -2.117 -9.435 4.104 1.00 10.00 N ATOM 751 CA GLN A 46 -0.722 -9.542 4.547 1.00 10.00 C ATOM 752 C GLN A 46 -0.074 -8.187 4.861 1.00 10.00 C ATOM 753 O GLN A 46 0.605 -8.057 5.879 1.00 10.00 O ATOM 754 CB GLN A 46 0.073 -10.267 3.469 1.00 10.00 C ATOM 755 CG GLN A 46 -0.125 -11.773 3.672 1.00 10.00 C ATOM 756 CD GLN A 46 0.488 -12.562 2.534 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.585 -13.100 2.608 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.209 -12.629 1.427 1.00 10.00 N ATOM 0 H GLN A 46 -2.236 -9.562 3.099 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.715 -10.100 5.483 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.267 -9.968 2.478 1.00 10.00 H new ATOM 0 HB3 GLN A 46 1.130 -10.009 3.535 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.327 -12.078 4.615 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.189 -11.997 3.742 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.123 -12.179 1.371 1.00 10.00 H new ATOM 0 HE22 GLN A 46 0.162 -13.132 0.621 1.00 10.00 H new ATOM 767 N ILE A 47 -0.297 -7.171 4.025 1.00 10.00 N ATOM 768 CA ILE A 47 0.156 -5.794 4.251 1.00 10.00 C ATOM 769 C ILE A 47 -0.451 -5.209 5.532 1.00 10.00 C ATOM 770 O ILE A 47 0.268 -4.576 6.302 1.00 10.00 O ATOM 771 CB ILE A 47 -0.138 -4.940 2.995 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.944 -5.271 1.943 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.151 -3.435 3.305 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.673 -4.692 0.555 1.00 10.00 C ATOM 0 H ILE A 47 -0.810 -7.284 3.151 1.00 10.00 H new ATOM 0 HA ILE A 47 1.235 -5.788 4.408 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.133 -5.180 2.620 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.905 -4.898 2.298 1.00 10.00 H new ATOM 0 HG13 ILE A 47 1.034 -6.354 1.860 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.361 -2.877 2.392 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.922 -3.223 4.046 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.821 -3.136 3.697 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.481 -4.972 -0.120 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.270 -5.084 0.175 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.614 -3.605 0.619 1.00 10.00 H new ATOM 786 N SER A 48 -1.733 -5.456 5.815 1.00 10.00 N ATOM 787 CA SER A 48 -2.383 -4.945 7.037 1.00 10.00 C ATOM 788 C SER A 48 -1.838 -5.599 8.317 1.00 10.00 C ATOM 789 O SER A 48 -1.711 -4.938 9.350 1.00 10.00 O ATOM 790 CB SER A 48 -3.907 -5.082 6.958 1.00 10.00 C ATOM 791 OG SER A 48 -4.306 -6.440 6.921 1.00 10.00 O ATOM 0 H SER A 48 -2.347 -6.008 5.216 1.00 10.00 H new ATOM 0 HA SER A 48 -2.137 -3.885 7.095 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.362 -4.592 7.818 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.274 -4.570 6.068 1.00 10.00 H new ATOM 0 HG SER A 48 -3.545 -6.998 6.656 1.00 10.00 H new ATOM 797 N GLN A 49 -1.419 -6.867 8.234 1.00 10.00 N ATOM 798 CA GLN A 49 -0.685 -7.595 9.279 1.00 10.00 C ATOM 799 C GLN A 49 0.760 -7.090 9.512 1.00 10.00 C ATOM 800 O GLN A 49 1.378 -7.460 10.513 1.00 10.00 O ATOM 801 CB GLN A 49 -0.699 -9.096 8.928 1.00 10.00 C ATOM 802 CG GLN A 49 -2.023 -9.753 9.346 1.00 10.00 C ATOM 803 CD GLN A 49 -2.072 -11.224 8.941 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.742 -12.126 9.700 1.00 10.00 O ATOM 805 NE2 GLN A 49 -2.477 -11.521 7.724 1.00 10.00 N ATOM 0 H GLN A 49 -1.588 -7.437 7.405 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.195 -7.412 10.225 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.550 -9.223 7.856 1.00 10.00 H new ATOM 0 HB3 GLN A 49 0.131 -9.596 9.426 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.147 -9.668 10.426 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.855 -9.220 8.886 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.754 -10.778 7.083 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.513 -12.495 7.422 1.00 10.00 H new ATOM 814 N HIS A 50 1.295 -6.234 8.630 1.00 10.00 N ATOM 815 CA HIS A 50 2.686 -5.748 8.640 1.00 10.00 C ATOM 816 C HIS A 50 2.782 -4.241 8.309 1.00 10.00 C ATOM 817 O HIS A 50 3.778 -3.782 7.749 1.00 10.00 O ATOM 818 CB HIS A 50 3.520 -6.606 7.665 1.00 10.00 C ATOM 819 CG HIS A 50 3.561 -8.074 8.010 1.00 10.00 C ATOM 820 ND1 HIS A 50 2.689 -9.033 7.553 1.00 10.00 N ATOM 821 CD2 HIS A 50 4.448 -8.701 8.844 1.00 10.00 C ATOM 822 CE1 HIS A 50 3.026 -10.210 8.108 1.00 10.00 C ATOM 823 NE2 HIS A 50 4.105 -10.061 8.897 1.00 10.00 N ATOM 0 H HIS A 50 0.751 -5.845 7.860 1.00 10.00 H new ATOM 0 HA HIS A 50 3.089 -5.853 9.647 1.00 10.00 H new ATOM 0 HB2 HIS A 50 3.113 -6.492 6.660 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.540 -6.221 7.642 1.00 10.00 H new ATOM 0 HD1 HIS A 50 1.918 -8.878 6.904 1.00 10.00 H new ATOM 0 HD2 HIS A 50 5.267 -8.232 9.369 1.00 10.00 H new ATOM 0 HE1 HIS A 50 2.505 -11.142 7.944 1.00 10.00 H new ATOM 831 N GLN A 51 1.737 -3.458 8.605 1.00 10.00 N ATOM 832 CA GLN A 51 1.536 -2.109 8.062 1.00 10.00 C ATOM 833 C GLN A 51 2.665 -1.110 8.383 1.00 10.00 C ATOM 834 O GLN A 51 2.997 -0.270 7.549 1.00 10.00 O ATOM 835 CB GLN A 51 0.167 -1.603 8.544 1.00 10.00 C ATOM 836 CG GLN A 51 -0.346 -0.450 7.675 1.00 10.00 C ATOM 837 CD GLN A 51 -1.740 0.009 8.098 1.00 10.00 C ATOM 838 OE1 GLN A 51 -2.725 -0.713 7.995 1.00 10.00 O ATOM 839 NE2 GLN A 51 -1.889 1.221 8.595 1.00 10.00 N ATOM 0 H GLN A 51 0.994 -3.750 9.240 1.00 10.00 H new ATOM 0 HA GLN A 51 1.562 -2.180 6.975 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.552 -2.422 8.524 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.245 -1.272 9.580 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.347 0.389 7.740 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.369 -0.765 6.632 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.081 1.837 8.689 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.812 1.543 8.886 1.00 10.00 H new ATOM 848 N GLU A 52 3.309 -1.218 9.549 1.00 10.00 N ATOM 849 CA GLU A 52 4.488 -0.403 9.890 1.00 10.00 C ATOM 850 C GLU A 52 5.691 -0.707 8.978 1.00 10.00 C ATOM 851 O GLU A 52 6.418 0.205 8.579 1.00 10.00 O ATOM 852 CB GLU A 52 4.878 -0.617 11.361 1.00 10.00 C ATOM 853 CG GLU A 52 3.807 -0.097 12.330 1.00 10.00 C ATOM 854 CD GLU A 52 4.269 -0.236 13.794 1.00 10.00 C ATOM 855 OE1 GLU A 52 4.017 -1.297 14.417 1.00 10.00 O ATOM 856 OE2 GLU A 52 4.878 0.718 14.338 1.00 10.00 O ATOM 0 H GLU A 52 3.032 -1.869 10.284 1.00 10.00 H new ATOM 0 HA GLU A 52 4.213 0.640 9.734 1.00 10.00 H new ATOM 0 HB2 GLU A 52 5.042 -1.680 11.540 1.00 10.00 H new ATOM 0 HB3 GLU A 52 5.822 -0.111 11.561 1.00 10.00 H new ATOM 0 HG2 GLU A 52 3.591 0.949 12.111 1.00 10.00 H new ATOM 0 HG3 GLU A 52 2.880 -0.651 12.184 1.00 10.00 H new ATOM 863 N HIS A 53 5.878 -1.970 8.587 1.00 10.00 N ATOM 864 CA HIS A 53 6.916 -2.381 7.639 1.00 10.00 C ATOM 865 C HIS A 53 6.540 -2.073 6.181 1.00 10.00 C ATOM 866 O HIS A 53 7.422 -1.774 5.377 1.00 10.00 O ATOM 867 CB HIS A 53 7.229 -3.869 7.817 1.00 10.00 C ATOM 868 CG HIS A 53 7.688 -4.223 9.210 1.00 10.00 C ATOM 869 ND1 HIS A 53 8.713 -3.623 9.909 1.00 10.00 N ATOM 870 CD2 HIS A 53 7.166 -5.198 10.019 1.00 10.00 C ATOM 871 CE1 HIS A 53 8.808 -4.218 11.110 1.00 10.00 C ATOM 872 NE2 HIS A 53 7.883 -5.190 11.225 1.00 10.00 N ATOM 0 H HIS A 53 5.306 -2.745 8.924 1.00 10.00 H new ATOM 0 HA HIS A 53 7.809 -1.796 7.860 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.339 -4.451 7.577 1.00 10.00 H new ATOM 0 HB3 HIS A 53 8.001 -4.158 7.104 1.00 10.00 H new ATOM 0 HD1 HIS A 53 9.299 -2.859 9.573 1.00 10.00 H new ATOM 0 HD2 HIS A 53 6.347 -5.857 9.772 1.00 10.00 H new ATOM 0 HE1 HIS A 53 9.524 -3.954 11.874 1.00 10.00 H new ATOM 880 N PHE A 54 5.247 -2.056 5.835 1.00 10.00 N ATOM 881 CA PHE A 54 4.777 -1.468 4.575 1.00 10.00 C ATOM 882 C PHE A 54 5.098 0.020 4.502 1.00 10.00 C ATOM 883 O PHE A 54 5.659 0.442 3.501 1.00 10.00 O ATOM 884 CB PHE A 54 3.282 -1.757 4.366 1.00 10.00 C ATOM 885 CG PHE A 54 2.718 -1.299 3.028 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.327 -1.695 1.820 1.00 10.00 C ATOM 887 CD2 PHE A 54 1.551 -0.509 2.987 1.00 10.00 C ATOM 888 CE1 PHE A 54 2.785 -1.288 0.587 1.00 10.00 C ATOM 889 CE2 PHE A 54 0.993 -0.130 1.751 1.00 10.00 C ATOM 890 CZ PHE A 54 1.615 -0.511 0.550 1.00 10.00 C ATOM 0 H PHE A 54 4.503 -2.446 6.414 1.00 10.00 H new ATOM 0 HA PHE A 54 5.315 -1.940 3.753 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.118 -2.830 4.464 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.719 -1.274 5.165 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.213 -2.313 1.841 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.083 -0.193 3.908 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.270 -1.574 -0.335 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.085 0.455 1.726 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.195 -0.208 -0.398 1.00 10.00 H new ATOM 900 N ILE A 55 4.872 0.790 5.570 1.00 10.00 N ATOM 901 CA ILE A 55 5.296 2.197 5.671 1.00 10.00 C ATOM 902 C ILE A 55 6.822 2.364 5.505 1.00 10.00 C ATOM 903 O ILE A 55 7.254 3.310 4.846 1.00 10.00 O ATOM 904 CB ILE A 55 4.709 2.823 6.949 1.00 10.00 C ATOM 905 CG1 ILE A 55 3.209 3.085 6.679 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.432 4.116 7.376 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.418 3.470 7.927 1.00 10.00 C ATOM 0 H ILE A 55 4.384 0.454 6.400 1.00 10.00 H new ATOM 0 HA ILE A 55 4.887 2.761 4.833 1.00 10.00 H new ATOM 0 HB ILE A 55 4.846 2.134 7.783 1.00 10.00 H new ATOM 0 HG12 ILE A 55 3.116 3.881 5.941 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.766 2.191 6.241 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.971 4.508 8.283 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.483 3.899 7.568 1.00 10.00 H new ATOM 0 HG23 ILE A 55 5.354 4.856 6.580 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.375 3.638 7.659 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.479 2.665 8.659 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.834 4.382 8.355 1.00 10.00 H new ATOM 919 N GLN A 56 7.650 1.440 6.004 1.00 10.00 N ATOM 920 CA GLN A 56 9.098 1.439 5.727 1.00 10.00 C ATOM 921 C GLN A 56 9.420 1.118 4.252 1.00 10.00 C ATOM 922 O GLN A 56 10.171 1.861 3.624 1.00 10.00 O ATOM 923 CB GLN A 56 9.826 0.454 6.660 1.00 10.00 C ATOM 924 CG GLN A 56 9.846 0.929 8.122 1.00 10.00 C ATOM 925 CD GLN A 56 10.494 -0.094 9.056 1.00 10.00 C ATOM 926 OE1 GLN A 56 10.140 -1.267 9.093 1.00 10.00 O ATOM 927 NE2 GLN A 56 11.468 0.297 9.853 1.00 10.00 N ATOM 0 H GLN A 56 7.343 0.676 6.607 1.00 10.00 H new ATOM 0 HA GLN A 56 9.457 2.450 5.920 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.339 -0.520 6.605 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.850 0.319 6.312 1.00 10.00 H new ATOM 0 HG2 GLN A 56 10.388 1.872 8.188 1.00 10.00 H new ATOM 0 HG3 GLN A 56 8.826 1.124 8.452 1.00 10.00 H new ATOM 0 HE21 GLN A 56 11.779 1.268 9.839 1.00 10.00 H new ATOM 0 HE22 GLN A 56 11.911 -0.372 10.483 1.00 10.00 H new ATOM 936 N MET A 57 8.821 0.074 3.665 1.00 10.00 N ATOM 937 CA MET A 57 8.974 -0.271 2.236 1.00 10.00 C ATOM 938 C MET A 57 8.508 0.856 1.299 1.00 10.00 C ATOM 939 O MET A 57 9.100 1.079 0.246 1.00 10.00 O ATOM 940 CB MET A 57 8.197 -1.555 1.912 1.00 10.00 C ATOM 941 CG MET A 57 8.912 -2.804 2.435 1.00 10.00 C ATOM 942 SD MET A 57 10.441 -3.221 1.550 1.00 10.00 S ATOM 943 CE MET A 57 10.895 -4.724 2.455 1.00 10.00 C ATOM 0 H MET A 57 8.208 -0.566 4.171 1.00 10.00 H new ATOM 0 HA MET A 57 10.040 -0.423 2.065 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.201 -1.497 2.351 1.00 10.00 H new ATOM 0 HB3 MET A 57 8.066 -1.637 0.833 1.00 10.00 H new ATOM 0 HG2 MET A 57 9.146 -2.659 3.490 1.00 10.00 H new ATOM 0 HG3 MET A 57 8.229 -3.651 2.373 1.00 10.00 H new ATOM 0 HE1 MET A 57 11.821 -5.128 2.047 1.00 10.00 H new ATOM 0 HE2 MET A 57 11.036 -4.485 3.509 1.00 10.00 H new ATOM 0 HE3 MET A 57 10.101 -5.464 2.354 1.00 10.00 H new ATOM 953 N LEU A 58 7.464 1.579 1.700 1.00 10.00 N ATOM 954 CA LEU A 58 6.907 2.778 1.071 1.00 10.00 C ATOM 955 C LEU A 58 7.866 3.979 1.106 1.00 10.00 C ATOM 956 O LEU A 58 7.982 4.711 0.121 1.00 10.00 O ATOM 957 CB LEU A 58 5.617 3.114 1.845 1.00 10.00 C ATOM 958 CG LEU A 58 4.353 2.443 1.302 1.00 10.00 C ATOM 959 CD1 LEU A 58 3.228 2.595 2.326 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.923 3.124 0.007 1.00 10.00 C ATOM 0 H LEU A 58 6.944 1.322 2.539 1.00 10.00 H new ATOM 0 HA LEU A 58 6.722 2.579 0.015 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.748 2.822 2.887 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.473 4.194 1.832 1.00 10.00 H new ATOM 0 HG LEU A 58 4.559 1.389 1.114 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.324 2.119 1.946 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.522 2.121 3.262 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.035 3.654 2.500 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.023 2.643 -0.376 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.717 4.177 0.200 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.721 3.040 -0.731 1.00 10.00 H new ATOM 972 N ASN A 59 8.541 4.181 2.237 1.00 10.00 N ATOM 973 CA ASN A 59 9.566 5.214 2.429 1.00 10.00 C ATOM 974 C ASN A 59 10.876 4.906 1.674 1.00 10.00 C ATOM 975 O ASN A 59 11.533 5.826 1.182 1.00 10.00 O ATOM 976 CB ASN A 59 9.820 5.395 3.939 1.00 10.00 C ATOM 977 CG ASN A 59 8.916 6.462 4.534 1.00 10.00 C ATOM 978 OD1 ASN A 59 9.235 7.643 4.547 1.00 10.00 O ATOM 979 ND2 ASN A 59 7.760 6.094 5.031 1.00 10.00 N ATOM 0 H ASN A 59 8.387 3.615 3.072 1.00 10.00 H new ATOM 0 HA ASN A 59 9.192 6.145 2.003 1.00 10.00 H new ATOM 0 HB2 ASN A 59 9.653 4.448 4.453 1.00 10.00 H new ATOM 0 HB3 ASN A 59 10.863 5.668 4.103 1.00 10.00 H new ATOM 0 HD21 ASN A 59 7.130 6.791 5.427 1.00 10.00 H new ATOM 0 HD22 ASN A 59 7.491 5.110 5.022 1.00 10.00 H new ATOM 986 N GLU A 60 11.252 3.631 1.553 1.00 10.00 N ATOM 987 CA GLU A 60 12.364 3.177 0.707 1.00 10.00 C ATOM 988 C GLU A 60 12.107 3.461 -0.794 1.00 10.00 C ATOM 989 O GLU A 60 10.953 3.447 -1.240 1.00 10.00 O ATOM 990 CB GLU A 60 12.623 1.684 0.948 1.00 10.00 C ATOM 991 CG GLU A 60 13.304 1.423 2.298 1.00 10.00 C ATOM 992 CD GLU A 60 14.804 1.784 2.297 1.00 10.00 C ATOM 993 OE1 GLU A 60 15.153 2.972 2.501 1.00 10.00 O ATOM 994 OE2 GLU A 60 15.650 0.874 2.119 1.00 10.00 O ATOM 0 H GLU A 60 10.786 2.870 2.047 1.00 10.00 H new ATOM 0 HA GLU A 60 13.253 3.744 0.985 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.678 1.142 0.909 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.248 1.292 0.146 1.00 10.00 H new ATOM 0 HG2 GLU A 60 12.798 2.000 3.072 1.00 10.00 H new ATOM 0 HG3 GLU A 60 13.189 0.371 2.559 1.00 10.00 H new ATOM 1001 N PRO A 61 13.155 3.722 -1.601 1.00 10.00 N ATOM 1002 CA PRO A 61 12.999 4.127 -2.998 1.00 10.00 C ATOM 1003 C PRO A 61 12.501 2.983 -3.894 1.00 10.00 C ATOM 1004 O PRO A 61 12.771 1.803 -3.655 1.00 10.00 O ATOM 1005 CB PRO A 61 14.376 4.640 -3.430 1.00 10.00 C ATOM 1006 CG PRO A 61 15.337 3.865 -2.540 1.00 10.00 C ATOM 1007 CD PRO A 61 14.564 3.702 -1.236 1.00 10.00 C ATOM 0 HA PRO A 61 12.234 4.897 -3.099 1.00 10.00 H new ATOM 0 HB2 PRO A 61 14.563 4.448 -4.486 1.00 10.00 H new ATOM 0 HB3 PRO A 61 14.469 5.716 -3.281 1.00 10.00 H new ATOM 0 HG2 PRO A 61 15.597 2.900 -2.975 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.270 4.408 -2.388 1.00 10.00 H new ATOM 0 HD2 PRO A 61 14.826 2.767 -0.741 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.798 4.507 -0.540 1.00 10.00 H new ATOM 1015 N VAL A 62 11.821 3.340 -4.990 1.00 10.00 N ATOM 1016 CA VAL A 62 11.344 2.398 -6.016 1.00 10.00 C ATOM 1017 C VAL A 62 12.477 1.648 -6.732 1.00 10.00 C ATOM 1018 O VAL A 62 12.304 0.490 -7.114 1.00 10.00 O ATOM 1019 CB VAL A 62 10.429 3.117 -7.023 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.090 3.483 -6.368 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.036 4.379 -7.652 1.00 10.00 C ATOM 0 H VAL A 62 11.581 4.310 -5.195 1.00 10.00 H new ATOM 0 HA VAL A 62 10.768 1.635 -5.493 1.00 10.00 H new ATOM 0 HB VAL A 62 10.287 2.401 -7.833 1.00 10.00 H new ATOM 0 HG11 VAL A 62 8.456 3.991 -7.095 1.00 10.00 H new ATOM 0 HG12 VAL A 62 8.593 2.576 -6.024 1.00 10.00 H new ATOM 0 HG13 VAL A 62 9.269 4.143 -5.519 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.321 4.819 -8.348 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.270 5.100 -6.868 1.00 10.00 H new ATOM 0 HG23 VAL A 62 11.948 4.116 -8.187 1.00 10.00 H new ATOM 1031 N GLN A 63 13.663 2.261 -6.827 1.00 10.00 N ATOM 1032 CA GLN A 63 14.915 1.651 -7.310 1.00 10.00 C ATOM 1033 C GLN A 63 15.610 0.750 -6.261 1.00 10.00 C ATOM 1034 O GLN A 63 16.785 0.417 -6.411 1.00 10.00 O ATOM 1035 CB GLN A 63 15.871 2.765 -7.785 1.00 10.00 C ATOM 1036 CG GLN A 63 15.330 3.569 -8.978 1.00 10.00 C ATOM 1037 CD GLN A 63 16.396 4.487 -9.584 1.00 10.00 C ATOM 1038 OE1 GLN A 63 17.232 5.067 -8.902 1.00 10.00 O ATOM 1039 NE2 GLN A 63 16.427 4.641 -10.891 1.00 10.00 N ATOM 0 H GLN A 63 13.785 3.237 -6.559 1.00 10.00 H new ATOM 0 HA GLN A 63 14.654 0.993 -8.139 1.00 10.00 H new ATOM 0 HB2 GLN A 63 16.064 3.446 -6.956 1.00 10.00 H new ATOM 0 HB3 GLN A 63 16.827 2.320 -8.061 1.00 10.00 H new ATOM 0 HG2 GLN A 63 14.966 2.882 -9.742 1.00 10.00 H new ATOM 0 HG3 GLN A 63 14.478 4.167 -8.655 1.00 10.00 H new ATOM 0 HE21 GLN A 63 15.740 4.167 -11.477 1.00 10.00 H new ATOM 0 HE22 GLN A 63 17.138 5.235 -11.318 1.00 10.00 H new ATOM 1048 N GLU A 64 14.921 0.396 -5.168 1.00 10.00 N ATOM 1049 CA GLU A 64 15.351 -0.464 -4.048 1.00 10.00 C ATOM 1050 C GLU A 64 16.385 0.182 -3.103 1.00 10.00 C ATOM 1051 O GLU A 64 16.244 0.097 -1.882 1.00 10.00 O ATOM 1052 CB GLU A 64 15.852 -1.823 -4.574 1.00 10.00 C ATOM 1053 CG GLU A 64 15.685 -2.935 -3.535 1.00 10.00 C ATOM 1054 CD GLU A 64 16.457 -4.204 -3.932 1.00 10.00 C ATOM 1055 OE1 GLU A 64 16.267 -4.732 -5.052 1.00 10.00 O ATOM 1056 OE2 GLU A 64 17.231 -4.708 -3.081 1.00 10.00 O ATOM 0 H GLU A 64 13.967 0.730 -5.029 1.00 10.00 H new ATOM 0 HA GLU A 64 14.463 -0.615 -3.434 1.00 10.00 H new ATOM 0 HB2 GLU A 64 15.304 -2.086 -5.479 1.00 10.00 H new ATOM 0 HB3 GLU A 64 16.903 -1.740 -4.851 1.00 10.00 H new ATOM 0 HG2 GLU A 64 16.037 -2.583 -2.565 1.00 10.00 H new ATOM 0 HG3 GLU A 64 14.627 -3.173 -3.423 1.00 10.00 H new ATOM 1063 N ALA A 65 17.389 0.871 -3.657 1.00 10.00 N ATOM 1064 CA ALA A 65 18.448 1.575 -2.921 1.00 10.00 C ATOM 1065 C ALA A 65 18.868 2.928 -3.546 1.00 10.00 C ATOM 1066 O ALA A 65 19.622 3.679 -2.926 1.00 10.00 O ATOM 1067 CB ALA A 65 19.646 0.622 -2.798 1.00 10.00 C ATOM 0 H ALA A 65 17.491 0.957 -4.668 1.00 10.00 H new ATOM 0 HA ALA A 65 18.055 1.844 -1.940 1.00 10.00 H new ATOM 0 HB1 ALA A 65 20.451 1.117 -2.255 1.00 10.00 H new ATOM 0 HB2 ALA A 65 19.343 -0.276 -2.259 1.00 10.00 H new ATOM 0 HB3 ALA A 65 19.996 0.347 -3.793 1.00 10.00 H new ATOM 1073 N GLY A 66 18.387 3.262 -4.754 1.00 10.00 N ATOM 1074 CA GLY A 66 18.675 4.539 -5.432 1.00 10.00 C ATOM 1075 C GLY A 66 20.145 4.744 -5.833 1.00 10.00 C ATOM 1076 O GLY A 66 20.606 5.884 -5.926 1.00 10.00 O ATOM 0 H GLY A 66 17.780 2.646 -5.295 1.00 10.00 H new ATOM 0 HA2 GLY A 66 18.057 4.605 -6.327 1.00 10.00 H new ATOM 0 HA3 GLY A 66 18.375 5.357 -4.777 1.00 10.00 H new ATOM 1080 N GLY A 67 20.895 3.657 -6.050 1.00 10.00 N ATOM 1081 CA GLY A 67 22.358 3.659 -6.226 1.00 10.00 C ATOM 1082 C GLY A 67 22.878 4.041 -7.623 1.00 10.00 C ATOM 1083 O GLY A 67 24.064 3.845 -7.900 1.00 10.00 O ATOM 0 H GLY A 67 20.492 2.722 -6.110 1.00 10.00 H new ATOM 0 HA2 GLY A 67 22.789 4.349 -5.501 1.00 10.00 H new ATOM 0 HA3 GLY A 67 22.733 2.665 -5.982 1.00 10.00 H new ATOM 1087 N GLN A 68 22.021 4.552 -8.515 1.00 10.00 N ATOM 1088 CA GLN A 68 22.401 5.039 -9.850 1.00 10.00 C ATOM 1089 C GLN A 68 23.400 6.218 -9.812 1.00 10.00 C ATOM 1090 O GLN A 68 23.457 6.976 -8.839 1.00 10.00 O ATOM 1091 CB GLN A 68 21.135 5.403 -10.653 1.00 10.00 C ATOM 1092 CG GLN A 68 20.320 6.572 -10.064 1.00 10.00 C ATOM 1093 CD GLN A 68 19.142 6.993 -10.945 1.00 10.00 C ATOM 1094 OE1 GLN A 68 18.637 6.258 -11.786 1.00 10.00 O ATOM 1095 NE2 GLN A 68 18.654 8.208 -10.799 1.00 10.00 N ATOM 0 H GLN A 68 21.023 4.641 -8.327 1.00 10.00 H new ATOM 0 HA GLN A 68 22.928 4.227 -10.351 1.00 10.00 H new ATOM 0 HB2 GLN A 68 21.427 5.657 -11.672 1.00 10.00 H new ATOM 0 HB3 GLN A 68 20.494 4.524 -10.715 1.00 10.00 H new ATOM 0 HG2 GLN A 68 19.946 6.286 -9.081 1.00 10.00 H new ATOM 0 HG3 GLN A 68 20.979 7.428 -9.917 1.00 10.00 H new ATOM 0 HE21 GLN A 68 19.056 8.839 -10.106 1.00 10.00 H new ATOM 0 HE22 GLN A 68 17.874 8.517 -11.379 1.00 10.00 H new ATOM 1104 N GLY A 69 24.143 6.417 -10.909 1.00 10.00 N ATOM 1105 CA GLY A 69 25.078 7.540 -11.080 1.00 10.00 C ATOM 1106 C GLY A 69 26.237 7.565 -10.069 1.00 10.00 C ATOM 1107 O GLY A 69 26.665 6.527 -9.552 1.00 10.00 O ATOM 0 H GLY A 69 24.112 5.793 -11.716 1.00 10.00 H new ATOM 0 HA2 GLY A 69 25.492 7.501 -12.087 1.00 10.00 H new ATOM 0 HA3 GLY A 69 24.522 8.474 -11.000 1.00 10.00 H new ATOM 1111 N GLY A 70 26.761 8.765 -9.800 1.00 10.00 N ATOM 1112 CA GLY A 70 27.824 9.019 -8.820 1.00 10.00 C ATOM 1113 C GLY A 70 28.056 10.514 -8.556 1.00 10.00 C ATOM 1114 O GLY A 70 27.487 11.375 -9.236 1.00 10.00 O ATOM 0 H GLY A 70 26.448 9.613 -10.272 1.00 10.00 H new ATOM 0 HA2 GLY A 70 27.570 8.526 -7.882 1.00 10.00 H new ATOM 0 HA3 GLY A 70 28.752 8.571 -9.175 1.00 10.00 H new ATOM 1118 N GLY A 71 28.889 10.826 -7.562 1.00 10.00 N ATOM 1119 CA GLY A 71 29.203 12.199 -7.139 1.00 10.00 C ATOM 1120 C GLY A 71 30.078 12.273 -5.879 1.00 10.00 C ATOM 1121 O GLY A 71 30.504 11.246 -5.338 1.00 10.00 O ATOM 0 H GLY A 71 29.377 10.118 -7.014 1.00 10.00 H new ATOM 0 HA2 GLY A 71 29.712 12.713 -7.954 1.00 10.00 H new ATOM 0 HA3 GLY A 71 28.272 12.735 -6.956 1.00 10.00 H new ATOM 1125 N GLY A 72 30.343 13.498 -5.410 1.00 10.00 N ATOM 1126 CA GLY A 72 31.152 13.795 -4.215 1.00 10.00 C ATOM 1127 C GLY A 72 31.215 15.290 -3.903 1.00 10.00 C ATOM 1128 O GLY A 72 32.077 15.981 -4.490 1.00 10.00 O ATOM 1129 OXT GLY A 72 30.393 15.761 -3.086 1.00 10.00 O ATOM 0 H GLY A 72 29.990 14.340 -5.865 1.00 10.00 H new ATOM 0 HA2 GLY A 72 30.735 13.266 -3.358 1.00 10.00 H new ATOM 0 HA3 GLY A 72 32.163 13.416 -4.362 1.00 10.00 H new TER 1133 GLY A 72