USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 699 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 17 MET CE :methyl -177:sc= -0.666 (180deg=-0.72) USER MOD Set 1.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 SER OG : rot 80:sc= 0.49 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -164:sc= 0.34 (180deg=-0.801) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.502 (180deg=-0.0699) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.994 K(o=0.99,f=-1.1) USER MOD Single : A 12 ASN : amide:sc= 0.58 K(o=0.58,f=-1.8!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -150:sc= 0.236 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.737 K(o=0.74,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0119 (180deg=-0.156) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000131 USER MOD Single : A 44 GLN : amide:sc= 0.0759 X(o=0.076,f=-0.25) USER MOD Single : A 46 ASN : amide:sc= 0.314 K(o=0.31,f=-4.4!) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 61 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 64 GLN : amide:sc= 0.782 K(o=0.78,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=-0.0057) USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.0149 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.00536) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0128 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.501 12.488 -7.812 1.00 64.42 N ATOM 2 CA GLY A 1 6.697 11.872 -6.750 1.00 42.45 C ATOM 3 C GLY A 1 6.606 12.837 -5.589 1.00 43.25 C ATOM 4 O GLY A 1 6.322 14.011 -5.831 1.00 23.34 O ATOM 0 H1 GLY A 1 7.069 12.286 -8.736 1.00 64.42 H new ATOM 0 H2 GLY A 1 7.540 13.517 -7.665 1.00 64.42 H new ATOM 0 H3 GLY A 1 8.465 12.098 -7.788 1.00 64.42 H new ATOM 0 HA2 GLY A 1 5.701 11.632 -7.121 1.00 42.45 H new ATOM 0 HA3 GLY A 1 7.151 10.935 -6.428 1.00 42.45 H new ATOM 8 N HIS A 2 6.870 12.382 -4.355 1.00 55.44 N ATOM 9 CA HIS A 2 6.828 13.267 -3.190 1.00 62.15 C ATOM 10 C HIS A 2 8.092 13.133 -2.341 1.00 11.40 C ATOM 11 O HIS A 2 8.947 14.015 -2.369 1.00 75.43 O ATOM 12 CB HIS A 2 5.515 13.087 -2.411 1.00 23.40 C ATOM 13 CG HIS A 2 4.946 14.424 -2.027 1.00 11.32 C ATOM 14 ND1 HIS A 2 5.532 15.336 -1.183 1.00 20.43 N ATOM 15 CD2 HIS A 2 3.830 15.007 -2.559 1.00 13.34 C ATOM 16 CE1 HIS A 2 4.769 16.437 -1.184 1.00 4.10 C ATOM 17 NE2 HIS A 2 3.702 16.276 -1.986 1.00 1.52 N ATOM 0 H HIS A 2 7.112 11.414 -4.143 1.00 55.44 H new ATOM 0 HA HIS A 2 6.826 14.302 -3.531 1.00 62.15 H new ATOM 0 HB2 HIS A 2 4.795 12.540 -3.020 1.00 23.40 H new ATOM 0 HB3 HIS A 2 5.694 12.490 -1.517 1.00 23.40 H new ATOM 0 HD2 HIS A 2 3.167 14.567 -3.290 1.00 13.34 H new ATOM 0 HE1 HIS A 2 4.982 17.332 -0.618 1.00 4.10 H new ATOM 0 HE2 HIS A 2 2.949 16.946 -2.145 1.00 1.52 H new ATOM 25 N MET A 3 8.248 12.024 -1.619 1.00 3.44 N ATOM 26 CA MET A 3 9.432 11.665 -0.845 1.00 42.24 C ATOM 27 C MET A 3 9.203 10.204 -0.509 1.00 74.43 C ATOM 28 O MET A 3 8.386 9.888 0.354 1.00 55.14 O ATOM 29 CB MET A 3 9.547 12.553 0.408 1.00 42.15 C ATOM 30 CG MET A 3 10.728 12.206 1.322 1.00 1.11 C ATOM 31 SD MET A 3 11.669 13.653 1.897 1.00 2.10 S ATOM 32 CE MET A 3 12.853 13.779 0.534 1.00 0.23 C ATOM 0 H MET A 3 7.515 11.318 -1.556 1.00 3.44 H new ATOM 0 HA MET A 3 10.371 11.814 -1.379 1.00 42.24 H new ATOM 0 HB2 MET A 3 9.639 13.593 0.095 1.00 42.15 H new ATOM 0 HB3 MET A 3 8.623 12.473 0.981 1.00 42.15 H new ATOM 0 HG2 MET A 3 10.355 11.660 2.189 1.00 1.11 H new ATOM 0 HG3 MET A 3 11.402 11.536 0.789 1.00 1.11 H new ATOM 0 HE1 MET A 3 13.523 14.620 0.711 1.00 0.23 H new ATOM 0 HE2 MET A 3 13.434 12.859 0.471 1.00 0.23 H new ATOM 0 HE3 MET A 3 12.316 13.933 -0.402 1.00 0.23 H new ATOM 42 N ASP A 4 9.747 9.348 -1.378 1.00 32.22 N ATOM 43 CA ASP A 4 9.937 7.908 -1.308 1.00 55.15 C ATOM 44 C ASP A 4 8.660 7.297 -0.735 1.00 71.31 C ATOM 45 O ASP A 4 8.528 7.079 0.471 1.00 21.42 O ATOM 46 CB ASP A 4 11.271 7.514 -0.639 1.00 64.11 C ATOM 47 CG ASP A 4 12.523 8.226 -1.204 1.00 40.51 C ATOM 48 OD1 ASP A 4 12.474 9.471 -1.384 1.00 4.30 O ATOM 49 OD2 ASP A 4 13.540 7.579 -1.531 1.00 60.01 O ATOM 0 H ASP A 4 10.110 9.704 -2.262 1.00 32.22 H new ATOM 0 HA ASP A 4 10.070 7.472 -2.298 1.00 55.15 H new ATOM 0 HB2 ASP A 4 11.201 7.727 0.428 1.00 64.11 H new ATOM 0 HB3 ASP A 4 11.407 6.437 -0.741 1.00 64.11 H new ATOM 54 N THR A 5 7.699 7.095 -1.630 1.00 22.40 N ATOM 55 CA THR A 5 6.336 6.710 -1.315 1.00 63.32 C ATOM 56 C THR A 5 5.989 5.464 -2.131 1.00 1.10 C ATOM 57 O THR A 5 6.069 5.506 -3.363 1.00 14.30 O ATOM 58 CB THR A 5 5.402 7.885 -1.631 1.00 13.51 C ATOM 59 OG1 THR A 5 5.825 9.057 -0.942 1.00 42.21 O ATOM 60 CG2 THR A 5 3.935 7.619 -1.283 1.00 14.23 C ATOM 0 H THR A 5 7.859 7.200 -2.632 1.00 22.40 H new ATOM 0 HA THR A 5 6.222 6.471 -0.258 1.00 63.32 H new ATOM 0 HB THR A 5 5.463 8.022 -2.711 1.00 13.51 H new ATOM 0 HG1 THR A 5 5.220 9.798 -1.155 1.00 42.21 H new ATOM 0 HG21 THR A 5 3.337 8.495 -1.535 1.00 14.23 H new ATOM 0 HG22 THR A 5 3.577 6.760 -1.850 1.00 14.23 H new ATOM 0 HG23 THR A 5 3.846 7.413 -0.216 1.00 14.23 H new ATOM 68 N ILE A 6 5.569 4.384 -1.459 1.00 13.53 N ATOM 69 CA ILE A 6 5.107 3.168 -2.121 1.00 52.22 C ATOM 70 C ILE A 6 3.587 3.261 -2.210 1.00 23.21 C ATOM 71 O ILE A 6 2.905 3.431 -1.203 1.00 23.43 O ATOM 72 CB ILE A 6 5.608 1.871 -1.435 1.00 1.52 C ATOM 73 CG1 ILE A 6 7.145 1.897 -1.324 1.00 60.11 C ATOM 74 CG2 ILE A 6 5.129 0.608 -2.177 1.00 74.32 C ATOM 75 CD1 ILE A 6 7.773 0.619 -0.755 1.00 52.42 C ATOM 0 H ILE A 6 5.542 4.334 -0.441 1.00 13.53 H new ATOM 0 HA ILE A 6 5.533 3.099 -3.122 1.00 52.22 H new ATOM 0 HB ILE A 6 5.181 1.831 -0.433 1.00 1.52 H new ATOM 0 HG12 ILE A 6 7.563 2.080 -2.314 1.00 60.11 H new ATOM 0 HG13 ILE A 6 7.435 2.738 -0.695 1.00 60.11 H new ATOM 0 HG21 ILE A 6 5.502 -0.279 -1.664 1.00 74.32 H new ATOM 0 HG22 ILE A 6 4.039 0.587 -2.193 1.00 74.32 H new ATOM 0 HG23 ILE A 6 5.507 0.621 -3.199 1.00 74.32 H new ATOM 0 HD11 ILE A 6 8.856 0.732 -0.715 1.00 52.42 H new ATOM 0 HD12 ILE A 6 7.390 0.442 0.250 1.00 52.42 H new ATOM 0 HD13 ILE A 6 7.520 -0.227 -1.394 1.00 52.42 H new ATOM 87 N ILE A 7 3.044 3.179 -3.418 1.00 71.13 N ATOM 88 CA ILE A 7 1.608 3.121 -3.662 1.00 60.54 C ATOM 89 C ILE A 7 1.230 1.661 -3.898 1.00 71.24 C ATOM 90 O ILE A 7 1.965 0.921 -4.551 1.00 53.41 O ATOM 91 CB ILE A 7 1.199 4.092 -4.795 1.00 40.02 C ATOM 92 CG1 ILE A 7 1.653 5.531 -4.475 1.00 15.41 C ATOM 93 CG2 ILE A 7 -0.318 4.094 -5.036 1.00 42.43 C ATOM 94 CD1 ILE A 7 3.000 5.894 -5.093 1.00 72.55 C ATOM 0 H ILE A 7 3.600 3.150 -4.273 1.00 71.13 H new ATOM 0 HA ILE A 7 1.040 3.468 -2.799 1.00 60.54 H new ATOM 0 HB ILE A 7 1.694 3.738 -5.699 1.00 40.02 H new ATOM 0 HG12 ILE A 7 0.897 6.230 -4.833 1.00 15.41 H new ATOM 0 HG13 ILE A 7 1.713 5.653 -3.394 1.00 15.41 H new ATOM 0 HG21 ILE A 7 -0.558 4.790 -5.840 1.00 42.43 H new ATOM 0 HG22 ILE A 7 -0.643 3.092 -5.315 1.00 42.43 H new ATOM 0 HG23 ILE A 7 -0.831 4.402 -4.125 1.00 42.43 H new ATOM 0 HD11 ILE A 7 3.258 6.919 -4.828 1.00 72.55 H new ATOM 0 HD12 ILE A 7 3.767 5.218 -4.716 1.00 72.55 H new ATOM 0 HD13 ILE A 7 2.939 5.804 -6.178 1.00 72.55 H new ATOM 106 N LEU A 8 0.079 1.260 -3.358 1.00 74.52 N ATOM 107 CA LEU A 8 -0.551 -0.031 -3.620 1.00 63.50 C ATOM 108 C LEU A 8 -1.725 0.172 -4.569 1.00 4.22 C ATOM 109 O LEU A 8 -2.278 1.269 -4.652 1.00 44.43 O ATOM 110 CB LEU A 8 -1.079 -0.665 -2.327 1.00 74.40 C ATOM 111 CG LEU A 8 -0.028 -0.988 -1.255 1.00 32.41 C ATOM 112 CD1 LEU A 8 -0.769 -1.688 -0.109 1.00 64.24 C ATOM 113 CD2 LEU A 8 1.123 -1.859 -1.764 1.00 64.21 C ATOM 0 H LEU A 8 -0.453 1.840 -2.710 1.00 74.52 H new ATOM 0 HA LEU A 8 0.197 -0.692 -4.057 1.00 63.50 H new ATOM 0 HB2 LEU A 8 -1.818 0.008 -1.892 1.00 74.40 H new ATOM 0 HB3 LEU A 8 -1.601 -1.587 -2.585 1.00 74.40 H new ATOM 0 HG LEU A 8 0.445 -0.060 -0.932 1.00 32.41 H new ATOM 0 HD11 LEU A 8 -0.062 -1.939 0.682 1.00 64.24 H new ATOM 0 HD12 LEU A 8 -1.536 -1.023 0.288 1.00 64.24 H new ATOM 0 HD13 LEU A 8 -1.236 -2.600 -0.481 1.00 64.24 H new ATOM 0 HD21 LEU A 8 1.825 -2.045 -0.951 1.00 64.21 H new ATOM 0 HD22 LEU A 8 0.728 -2.808 -2.127 1.00 64.21 H new ATOM 0 HD23 LEU A 8 1.636 -1.345 -2.577 1.00 64.21 H new ATOM 125 N ARG A 9 -2.157 -0.901 -5.228 1.00 43.24 N ATOM 126 CA ARG A 9 -3.214 -0.922 -6.244 1.00 13.21 C ATOM 127 C ARG A 9 -4.047 -2.183 -6.046 1.00 54.23 C ATOM 128 O ARG A 9 -3.650 -3.046 -5.261 1.00 60.50 O ATOM 129 CB ARG A 9 -2.591 -0.951 -7.654 1.00 61.22 C ATOM 130 CG ARG A 9 -1.285 -0.160 -7.839 1.00 51.00 C ATOM 131 CD ARG A 9 -0.735 -0.235 -9.266 1.00 0.14 C ATOM 132 NE ARG A 9 -1.346 0.750 -10.159 1.00 73.21 N ATOM 133 CZ ARG A 9 -0.851 1.119 -11.342 1.00 61.33 C ATOM 134 NH1 ARG A 9 0.258 0.570 -11.827 1.00 73.52 N ATOM 135 NH2 ARG A 9 -1.474 2.067 -12.024 1.00 71.54 N ATOM 0 H ARG A 9 -1.762 -1.826 -5.062 1.00 43.24 H new ATOM 0 HA ARG A 9 -3.834 -0.031 -6.146 1.00 13.21 H new ATOM 0 HB2 ARG A 9 -2.402 -1.990 -7.923 1.00 61.22 H new ATOM 0 HB3 ARG A 9 -3.327 -0.567 -8.361 1.00 61.22 H new ATOM 0 HG2 ARG A 9 -1.459 0.884 -7.577 1.00 51.00 H new ATOM 0 HG3 ARG A 9 -0.535 -0.541 -7.146 1.00 51.00 H new ATOM 0 HD2 ARG A 9 0.344 -0.080 -9.244 1.00 0.14 H new ATOM 0 HD3 ARG A 9 -0.905 -1.235 -9.664 1.00 0.14 H new ATOM 0 HE ARG A 9 -2.216 1.187 -9.854 1.00 73.21 H new ATOM 0 HH11 ARG A 9 0.748 -0.148 -11.293 1.00 73.52 H new ATOM 0 HH12 ARG A 9 0.620 0.866 -12.734 1.00 73.52 H new ATOM 0 HH21 ARG A 9 -2.315 2.500 -11.643 1.00 71.54 H new ATOM 0 HH22 ARG A 9 -1.113 2.364 -12.930 1.00 71.54 H new ATOM 149 N ASN A 10 -5.120 -2.323 -6.828 1.00 42.12 N ATOM 150 CA ASN A 10 -6.008 -3.483 -6.830 1.00 0.01 C ATOM 151 C ASN A 10 -6.447 -3.846 -5.409 1.00 71.53 C ATOM 152 O ASN A 10 -6.457 -5.004 -4.987 1.00 43.00 O ATOM 153 CB ASN A 10 -5.375 -4.647 -7.604 1.00 55.40 C ATOM 154 CG ASN A 10 -6.350 -5.795 -7.847 1.00 43.13 C ATOM 155 OD1 ASN A 10 -7.558 -5.601 -7.941 1.00 11.25 O ATOM 156 ND2 ASN A 10 -5.828 -7.003 -7.963 1.00 74.30 N ATOM 0 H ASN A 10 -5.402 -1.608 -7.498 1.00 42.12 H new ATOM 0 HA ASN A 10 -6.925 -3.231 -7.362 1.00 0.01 H new ATOM 0 HB2 ASN A 10 -5.005 -4.282 -8.562 1.00 55.40 H new ATOM 0 HB3 ASN A 10 -4.513 -5.019 -7.050 1.00 55.40 H new ATOM 0 HD21 ASN A 10 -6.433 -7.806 -8.135 1.00 74.30 H new ATOM 0 HD22 ASN A 10 -4.820 -7.133 -7.880 1.00 74.30 H new ATOM 163 N LEU A 11 -6.766 -2.822 -4.620 1.00 55.30 N ATOM 164 CA LEU A 11 -7.379 -2.994 -3.321 1.00 41.44 C ATOM 165 C LEU A 11 -8.871 -3.125 -3.615 1.00 21.32 C ATOM 166 O LEU A 11 -9.456 -2.265 -4.271 1.00 71.33 O ATOM 167 CB LEU A 11 -7.016 -1.823 -2.388 1.00 31.24 C ATOM 168 CG LEU A 11 -5.497 -1.539 -2.291 1.00 71.34 C ATOM 169 CD1 LEU A 11 -5.229 -0.260 -1.496 1.00 40.22 C ATOM 170 CD2 LEU A 11 -4.712 -2.682 -1.640 1.00 34.31 C ATOM 0 H LEU A 11 -6.602 -1.847 -4.873 1.00 55.30 H new ATOM 0 HA LEU A 11 -7.026 -3.874 -2.783 1.00 41.44 H new ATOM 0 HB2 LEU A 11 -7.521 -0.923 -2.739 1.00 31.24 H new ATOM 0 HB3 LEU A 11 -7.399 -2.035 -1.390 1.00 31.24 H new ATOM 0 HG LEU A 11 -5.155 -1.430 -3.320 1.00 71.34 H new ATOM 0 HD11 LEU A 11 -4.155 -0.083 -1.443 1.00 40.22 H new ATOM 0 HD12 LEU A 11 -5.711 0.583 -1.990 1.00 40.22 H new ATOM 0 HD13 LEU A 11 -5.630 -0.367 -0.488 1.00 40.22 H new ATOM 0 HD21 LEU A 11 -3.654 -2.421 -1.602 1.00 34.31 H new ATOM 0 HD22 LEU A 11 -5.082 -2.847 -0.628 1.00 34.31 H new ATOM 0 HD23 LEU A 11 -4.841 -3.592 -2.226 1.00 34.31 H new ATOM 182 N ASN A 12 -9.467 -4.241 -3.200 1.00 44.32 N ATOM 183 CA ASN A 12 -10.882 -4.510 -3.413 1.00 4.01 C ATOM 184 C ASN A 12 -11.682 -3.568 -2.530 1.00 4.24 C ATOM 185 O ASN A 12 -11.211 -3.231 -1.441 1.00 0.01 O ATOM 186 CB ASN A 12 -11.221 -5.968 -3.042 1.00 24.44 C ATOM 187 CG ASN A 12 -11.601 -6.821 -4.243 1.00 54.21 C ATOM 188 OD1 ASN A 12 -11.254 -6.506 -5.376 1.00 10.11 O ATOM 189 ND2 ASN A 12 -12.297 -7.911 -4.010 1.00 5.03 N ATOM 0 H ASN A 12 -8.977 -4.986 -2.704 1.00 44.32 H new ATOM 0 HA ASN A 12 -11.127 -4.357 -4.464 1.00 4.01 H new ATOM 0 HB2 ASN A 12 -10.363 -6.418 -2.543 1.00 24.44 H new ATOM 0 HB3 ASN A 12 -12.044 -5.972 -2.327 1.00 24.44 H new ATOM 0 HD21 ASN A 12 -12.563 -8.521 -4.783 1.00 5.03 H new ATOM 0 HD22 ASN A 12 -12.571 -8.147 -3.056 1.00 5.03 H new ATOM 196 N PRO A 13 -12.913 -3.218 -2.916 1.00 31.53 N ATOM 197 CA PRO A 13 -13.780 -2.342 -2.136 1.00 51.31 C ATOM 198 C PRO A 13 -14.134 -2.959 -0.781 1.00 75.50 C ATOM 199 O PRO A 13 -14.264 -2.229 0.195 1.00 72.23 O ATOM 200 CB PRO A 13 -15.020 -2.164 -3.016 1.00 74.54 C ATOM 201 CG PRO A 13 -15.058 -3.425 -3.872 1.00 54.33 C ATOM 202 CD PRO A 13 -13.586 -3.681 -4.119 1.00 62.53 C ATOM 0 HA PRO A 13 -13.302 -1.392 -1.896 1.00 51.31 H new ATOM 0 HB2 PRO A 13 -15.924 -2.064 -2.415 1.00 74.54 H new ATOM 0 HB3 PRO A 13 -14.946 -1.267 -3.631 1.00 74.54 H new ATOM 0 HG2 PRO A 13 -15.535 -4.256 -3.353 1.00 54.33 H new ATOM 0 HG3 PRO A 13 -15.607 -3.271 -4.801 1.00 54.33 H new ATOM 0 HD2 PRO A 13 -13.394 -4.739 -4.295 1.00 62.53 H new ATOM 0 HD3 PRO A 13 -13.235 -3.143 -4.999 1.00 62.53 H new ATOM 210 N HIS A 14 -14.233 -4.287 -0.718 1.00 3.22 N ATOM 211 CA HIS A 14 -14.450 -5.083 0.483 1.00 23.55 C ATOM 212 C HIS A 14 -13.246 -5.100 1.438 1.00 43.43 C ATOM 213 O HIS A 14 -13.361 -5.645 2.537 1.00 50.41 O ATOM 214 CB HIS A 14 -14.903 -6.492 0.080 1.00 65.51 C ATOM 215 CG HIS A 14 -16.368 -6.525 -0.264 1.00 43.40 C ATOM 216 ND1 HIS A 14 -17.388 -6.509 0.657 1.00 30.24 N ATOM 217 CD2 HIS A 14 -16.925 -6.405 -1.508 1.00 33.15 C ATOM 218 CE1 HIS A 14 -18.537 -6.352 -0.016 1.00 11.41 C ATOM 219 NE2 HIS A 14 -18.315 -6.353 -1.345 1.00 31.32 N ATOM 0 H HIS A 14 -14.159 -4.866 -1.554 1.00 3.22 H new ATOM 0 HA HIS A 14 -15.242 -4.607 1.062 1.00 23.55 H new ATOM 0 HB2 HIS A 14 -14.320 -6.832 -0.776 1.00 65.51 H new ATOM 0 HB3 HIS A 14 -14.705 -7.186 0.897 1.00 65.51 H new ATOM 0 HD2 HIS A 14 -16.390 -6.359 -2.445 1.00 33.15 H new ATOM 0 HE1 HIS A 14 -19.508 -6.240 0.444 1.00 11.41 H new ATOM 0 HE2 HIS A 14 -19.018 -6.322 -2.084 1.00 31.32 H new ATOM 227 N SER A 15 -12.058 -4.646 1.014 1.00 31.34 N ATOM 228 CA SER A 15 -10.947 -4.440 1.926 1.00 3.33 C ATOM 229 C SER A 15 -11.087 -3.109 2.665 1.00 32.21 C ATOM 230 O SER A 15 -11.559 -2.101 2.134 1.00 15.42 O ATOM 231 CB SER A 15 -9.626 -4.458 1.152 1.00 30.11 C ATOM 232 OG SER A 15 -9.419 -5.717 0.537 1.00 14.44 O ATOM 0 H SER A 15 -11.851 -4.417 0.042 1.00 31.34 H new ATOM 0 HA SER A 15 -10.954 -5.247 2.658 1.00 3.33 H new ATOM 0 HB2 SER A 15 -9.633 -3.675 0.394 1.00 30.11 H new ATOM 0 HB3 SER A 15 -8.800 -4.239 1.829 1.00 30.11 H new ATOM 0 HG SER A 15 -9.944 -5.768 -0.289 1.00 14.44 H new ATOM 238 N THR A 16 -10.488 -3.066 3.840 1.00 44.21 N ATOM 239 CA THR A 16 -10.199 -1.921 4.666 1.00 53.21 C ATOM 240 C THR A 16 -8.675 -1.942 4.838 1.00 2.05 C ATOM 241 O THR A 16 -8.011 -2.935 4.505 1.00 41.10 O ATOM 242 CB THR A 16 -11.043 -1.978 5.958 1.00 3.15 C ATOM 243 OG1 THR A 16 -10.849 -0.799 6.713 1.00 12.32 O ATOM 244 CG2 THR A 16 -10.788 -3.180 6.868 1.00 10.12 C ATOM 0 H THR A 16 -10.160 -3.926 4.280 1.00 44.21 H new ATOM 0 HA THR A 16 -10.480 -0.959 4.238 1.00 53.21 H new ATOM 0 HB THR A 16 -12.069 -2.080 5.605 1.00 3.15 H new ATOM 0 HG1 THR A 16 -11.389 -0.841 7.530 1.00 12.32 H new ATOM 0 HG21 THR A 16 -11.434 -3.117 7.744 1.00 10.12 H new ATOM 0 HG22 THR A 16 -11.002 -4.100 6.324 1.00 10.12 H new ATOM 0 HG23 THR A 16 -9.745 -3.181 7.186 1.00 10.12 H new ATOM 252 N MET A 17 -8.112 -0.857 5.370 1.00 31.11 N ATOM 253 CA MET A 17 -6.746 -0.755 5.820 1.00 43.22 C ATOM 254 C MET A 17 -6.446 -1.982 6.638 1.00 72.13 C ATOM 255 O MET A 17 -5.516 -2.689 6.318 1.00 3.11 O ATOM 256 CB MET A 17 -6.591 0.501 6.679 1.00 72.31 C ATOM 257 CG MET A 17 -5.152 0.669 7.178 1.00 33.13 C ATOM 258 SD MET A 17 -4.947 2.098 8.262 1.00 11.44 S ATOM 259 CE MET A 17 -5.732 1.442 9.764 1.00 41.53 C ATOM 0 H MET A 17 -8.632 0.011 5.500 1.00 31.11 H new ATOM 0 HA MET A 17 -6.059 -0.686 4.977 1.00 43.22 H new ATOM 0 HB2 MET A 17 -6.880 1.377 6.099 1.00 72.31 H new ATOM 0 HB3 MET A 17 -7.268 0.445 7.531 1.00 72.31 H new ATOM 0 HG2 MET A 17 -4.850 -0.232 7.712 1.00 33.13 H new ATOM 0 HG3 MET A 17 -4.485 0.770 6.322 1.00 33.13 H new ATOM 0 HE1 MET A 17 -5.746 2.214 10.534 1.00 41.53 H new ATOM 0 HE2 MET A 17 -6.754 1.137 9.537 1.00 41.53 H new ATOM 0 HE3 MET A 17 -5.168 0.581 10.123 1.00 41.53 H new ATOM 269 N ASP A 18 -7.269 -2.272 7.632 1.00 2.03 N ATOM 270 CA ASP A 18 -7.004 -3.335 8.578 1.00 53.41 C ATOM 271 C ASP A 18 -6.980 -4.738 7.964 1.00 72.42 C ATOM 272 O ASP A 18 -6.416 -5.646 8.571 1.00 74.30 O ATOM 273 CB ASP A 18 -8.019 -3.204 9.706 1.00 11.54 C ATOM 274 CG ASP A 18 -7.646 -4.087 10.879 1.00 70.32 C ATOM 275 OD1 ASP A 18 -8.491 -4.935 11.242 1.00 2.32 O ATOM 276 OD2 ASP A 18 -6.566 -3.872 11.472 1.00 41.12 O ATOM 0 H ASP A 18 -8.142 -1.773 7.803 1.00 2.03 H new ATOM 0 HA ASP A 18 -5.990 -3.219 8.960 1.00 53.41 H new ATOM 0 HB2 ASP A 18 -8.074 -2.165 10.032 1.00 11.54 H new ATOM 0 HB3 ASP A 18 -9.010 -3.477 9.342 1.00 11.54 H new ATOM 281 N SER A 19 -7.507 -4.917 6.747 1.00 63.34 N ATOM 282 CA SER A 19 -7.318 -6.146 5.977 1.00 43.04 C ATOM 283 C SER A 19 -5.904 -6.166 5.390 1.00 61.11 C ATOM 284 O SER A 19 -5.145 -7.110 5.571 1.00 53.03 O ATOM 285 CB SER A 19 -8.337 -6.259 4.825 1.00 11.23 C ATOM 286 OG SER A 19 -9.602 -5.705 5.126 1.00 22.53 O ATOM 0 H SER A 19 -8.074 -4.215 6.272 1.00 63.34 H new ATOM 0 HA SER A 19 -7.467 -6.989 6.652 1.00 43.04 H new ATOM 0 HB2 SER A 19 -7.932 -5.760 3.944 1.00 11.23 H new ATOM 0 HB3 SER A 19 -8.463 -7.310 4.566 1.00 11.23 H new ATOM 0 HG SER A 19 -10.296 -6.187 4.630 1.00 22.53 H new ATOM 292 N ILE A 20 -5.563 -5.126 4.627 1.00 73.22 N ATOM 293 CA ILE A 20 -4.343 -5.061 3.837 1.00 52.44 C ATOM 294 C ILE A 20 -3.164 -4.879 4.784 1.00 24.13 C ATOM 295 O ILE A 20 -2.212 -5.648 4.732 1.00 32.15 O ATOM 296 CB ILE A 20 -4.436 -3.926 2.797 1.00 31.53 C ATOM 297 CG1 ILE A 20 -5.679 -4.060 1.885 1.00 63.24 C ATOM 298 CG2 ILE A 20 -3.175 -3.860 1.916 1.00 52.44 C ATOM 299 CD1 ILE A 20 -6.307 -2.692 1.617 1.00 71.53 C ATOM 0 H ILE A 20 -6.142 -4.291 4.543 1.00 73.22 H new ATOM 0 HA ILE A 20 -4.201 -5.986 3.278 1.00 52.44 H new ATOM 0 HB ILE A 20 -4.526 -3.005 3.373 1.00 31.53 H new ATOM 0 HG12 ILE A 20 -5.395 -4.526 0.941 1.00 63.24 H new ATOM 0 HG13 ILE A 20 -6.412 -4.715 2.356 1.00 63.24 H new ATOM 0 HG21 ILE A 20 -3.277 -3.049 1.195 1.00 52.44 H new ATOM 0 HG22 ILE A 20 -2.302 -3.681 2.543 1.00 52.44 H new ATOM 0 HG23 ILE A 20 -3.052 -4.804 1.385 1.00 52.44 H new ATOM 0 HD11 ILE A 20 -7.179 -2.812 0.974 1.00 71.53 H new ATOM 0 HD12 ILE A 20 -6.612 -2.240 2.561 1.00 71.53 H new ATOM 0 HD13 ILE A 20 -5.579 -2.047 1.125 1.00 71.53 H new ATOM 311 N LEU A 21 -3.230 -3.878 5.658 1.00 62.01 N ATOM 312 CA LEU A 21 -2.195 -3.585 6.643 1.00 43.53 C ATOM 313 C LEU A 21 -1.989 -4.727 7.641 1.00 53.22 C ATOM 314 O LEU A 21 -0.931 -4.813 8.254 1.00 45.12 O ATOM 315 CB LEU A 21 -2.605 -2.296 7.375 1.00 12.42 C ATOM 316 CG LEU A 21 -1.525 -1.638 8.252 1.00 32.42 C ATOM 317 CD1 LEU A 21 -0.217 -1.418 7.494 1.00 43.22 C ATOM 318 CD2 LEU A 21 -2.034 -0.287 8.767 1.00 52.11 C ATOM 0 H LEU A 21 -4.021 -3.235 5.701 1.00 62.01 H new ATOM 0 HA LEU A 21 -1.241 -3.462 6.130 1.00 43.53 H new ATOM 0 HB2 LEU A 21 -2.932 -1.569 6.631 1.00 12.42 H new ATOM 0 HB3 LEU A 21 -3.467 -2.519 8.003 1.00 12.42 H new ATOM 0 HG LEU A 21 -1.323 -2.317 9.081 1.00 32.42 H new ATOM 0 HD11 LEU A 21 0.513 -0.951 8.156 1.00 43.22 H new ATOM 0 HD12 LEU A 21 0.168 -2.377 7.147 1.00 43.22 H new ATOM 0 HD13 LEU A 21 -0.398 -0.768 6.638 1.00 43.22 H new ATOM 0 HD21 LEU A 21 -1.268 0.178 9.388 1.00 52.11 H new ATOM 0 HD22 LEU A 21 -2.260 0.363 7.922 1.00 52.11 H new ATOM 0 HD23 LEU A 21 -2.937 -0.440 9.358 1.00 52.11 H new ATOM 330 N GLY A 22 -2.983 -5.604 7.791 1.00 63.23 N ATOM 331 CA GLY A 22 -2.904 -6.778 8.646 1.00 32.12 C ATOM 332 C GLY A 22 -2.584 -8.081 7.912 1.00 42.24 C ATOM 333 O GLY A 22 -2.726 -9.133 8.529 1.00 22.45 O ATOM 0 H GLY A 22 -3.879 -5.512 7.311 1.00 63.23 H new ATOM 0 HA2 GLY A 22 -2.141 -6.607 9.405 1.00 32.12 H new ATOM 0 HA3 GLY A 22 -3.853 -6.895 9.169 1.00 32.12 H new ATOM 337 N ALA A 23 -2.128 -8.049 6.652 1.00 30.13 N ATOM 338 CA ALA A 23 -1.770 -9.268 5.916 1.00 61.02 C ATOM 339 C ALA A 23 -0.649 -9.047 4.898 1.00 54.10 C ATOM 340 O ALA A 23 0.207 -9.909 4.721 1.00 45.22 O ATOM 341 CB ALA A 23 -3.010 -9.796 5.194 1.00 63.01 C ATOM 0 H ALA A 23 -1.998 -7.188 6.120 1.00 30.13 H new ATOM 0 HA ALA A 23 -1.401 -9.989 6.645 1.00 61.02 H new ATOM 0 HB1 ALA A 23 -2.753 -10.702 4.645 1.00 63.01 H new ATOM 0 HB2 ALA A 23 -3.787 -10.023 5.924 1.00 63.01 H new ATOM 0 HB3 ALA A 23 -3.375 -9.041 4.498 1.00 63.01 H new ATOM 347 N LEU A 24 -0.595 -7.876 4.255 1.00 10.53 N ATOM 348 CA LEU A 24 0.459 -7.480 3.317 1.00 54.42 C ATOM 349 C LEU A 24 1.723 -7.041 4.074 1.00 2.25 C ATOM 350 O LEU A 24 2.585 -6.344 3.525 1.00 14.35 O ATOM 351 CB LEU A 24 -0.085 -6.361 2.405 1.00 61.23 C ATOM 352 CG LEU A 24 0.663 -6.254 1.059 1.00 12.21 C ATOM 353 CD1 LEU A 24 0.210 -7.335 0.075 1.00 11.42 C ATOM 354 CD2 LEU A 24 0.394 -4.887 0.431 1.00 44.22 C ATOM 0 H LEU A 24 -1.306 -7.155 4.377 1.00 10.53 H new ATOM 0 HA LEU A 24 0.745 -8.329 2.696 1.00 54.42 H new ATOM 0 HB2 LEU A 24 -1.143 -6.541 2.212 1.00 61.23 H new ATOM 0 HB3 LEU A 24 -0.014 -5.408 2.929 1.00 61.23 H new ATOM 0 HG LEU A 24 1.726 -6.386 1.261 1.00 12.21 H new ATOM 0 HD11 LEU A 24 0.758 -7.228 -0.861 1.00 11.42 H new ATOM 0 HD12 LEU A 24 0.406 -8.319 0.500 1.00 11.42 H new ATOM 0 HD13 LEU A 24 -0.858 -7.229 -0.116 1.00 11.42 H new ATOM 0 HD21 LEU A 24 0.923 -4.813 -0.519 1.00 44.22 H new ATOM 0 HD22 LEU A 24 -0.676 -4.769 0.261 1.00 44.22 H new ATOM 0 HD23 LEU A 24 0.743 -4.103 1.103 1.00 44.22 H new ATOM 366 N ALA A 25 1.845 -7.415 5.351 1.00 41.13 N ATOM 367 CA ALA A 25 2.950 -7.069 6.228 1.00 13.23 C ATOM 368 C ALA A 25 3.735 -8.309 6.692 1.00 42.41 C ATOM 369 O ALA A 25 3.862 -8.532 7.900 1.00 51.11 O ATOM 370 CB ALA A 25 2.386 -6.254 7.389 1.00 21.22 C ATOM 0 H ALA A 25 1.143 -7.991 5.814 1.00 41.13 H new ATOM 0 HA ALA A 25 3.681 -6.468 5.688 1.00 13.23 H new ATOM 0 HB1 ALA A 25 3.194 -5.979 8.067 1.00 21.22 H new ATOM 0 HB2 ALA A 25 1.912 -5.351 7.003 1.00 21.22 H new ATOM 0 HB3 ALA A 25 1.648 -6.849 7.927 1.00 21.22 H new ATOM 376 N PRO A 26 4.277 -9.136 5.777 1.00 34.45 N ATOM 377 CA PRO A 26 5.191 -10.204 6.155 1.00 10.22 C ATOM 378 C PRO A 26 6.573 -9.673 6.563 1.00 43.13 C ATOM 379 O PRO A 26 7.180 -10.240 7.468 1.00 1.33 O ATOM 380 CB PRO A 26 5.267 -11.117 4.929 1.00 71.14 C ATOM 381 CG PRO A 26 5.001 -10.178 3.754 1.00 12.55 C ATOM 382 CD PRO A 26 4.021 -9.173 4.346 1.00 5.24 C ATOM 0 HA PRO A 26 4.835 -10.739 7.035 1.00 10.22 H new ATOM 0 HB2 PRO A 26 6.244 -11.594 4.846 1.00 71.14 H new ATOM 0 HB3 PRO A 26 4.526 -11.915 4.978 1.00 71.14 H new ATOM 0 HG2 PRO A 26 5.915 -9.696 3.405 1.00 12.55 H new ATOM 0 HG3 PRO A 26 4.574 -10.706 2.902 1.00 12.55 H new ATOM 0 HD2 PRO A 26 4.161 -8.188 3.902 1.00 5.24 H new ATOM 0 HD3 PRO A 26 2.992 -9.470 4.144 1.00 5.24 H new ATOM 390 N TYR A 27 7.056 -8.588 5.926 1.00 65.01 N ATOM 391 CA TYR A 27 8.425 -8.077 6.101 1.00 21.14 C ATOM 392 C TYR A 27 8.459 -6.602 6.518 1.00 30.03 C ATOM 393 O TYR A 27 9.438 -6.162 7.124 1.00 73.04 O ATOM 394 CB TYR A 27 9.253 -8.310 4.830 1.00 5.35 C ATOM 395 CG TYR A 27 9.075 -9.689 4.223 1.00 5.12 C ATOM 396 CD1 TYR A 27 9.481 -10.846 4.915 1.00 64.14 C ATOM 397 CD2 TYR A 27 8.412 -9.813 2.993 1.00 71.41 C ATOM 398 CE1 TYR A 27 9.223 -12.121 4.381 1.00 52.23 C ATOM 399 CE2 TYR A 27 8.113 -11.080 2.472 1.00 2.43 C ATOM 400 CZ TYR A 27 8.523 -12.243 3.159 1.00 1.51 C ATOM 401 OH TYR A 27 8.183 -13.466 2.670 1.00 65.41 O ATOM 0 H TYR A 27 6.500 -8.039 5.270 1.00 65.01 H new ATOM 0 HA TYR A 27 8.872 -8.639 6.921 1.00 21.14 H new ATOM 0 HB2 TYR A 27 8.980 -7.560 4.088 1.00 5.35 H new ATOM 0 HB3 TYR A 27 10.307 -8.160 5.063 1.00 5.35 H new ATOM 0 HD1 TYR A 27 9.993 -10.754 5.861 1.00 64.14 H new ATOM 0 HD2 TYR A 27 8.130 -8.927 2.444 1.00 71.41 H new ATOM 0 HE1 TYR A 27 9.559 -13.005 4.903 1.00 52.23 H new ATOM 0 HE2 TYR A 27 7.568 -11.166 1.544 1.00 2.43 H new ATOM 0 HH TYR A 27 7.705 -13.358 1.821 1.00 65.41 H new ATOM 411 N ALA A 28 7.413 -5.825 6.222 1.00 13.33 N ATOM 412 CA ALA A 28 7.219 -4.494 6.774 1.00 10.33 C ATOM 413 C ALA A 28 5.782 -4.338 7.263 1.00 74.42 C ATOM 414 O ALA A 28 4.850 -4.258 6.460 1.00 33.32 O ATOM 415 CB ALA A 28 7.586 -3.423 5.742 1.00 72.23 C ATOM 0 H ALA A 28 6.671 -6.112 5.583 1.00 13.33 H new ATOM 0 HA ALA A 28 7.882 -4.361 7.629 1.00 10.33 H new ATOM 0 HB1 ALA A 28 7.434 -2.434 6.174 1.00 72.23 H new ATOM 0 HB2 ALA A 28 8.631 -3.537 5.455 1.00 72.23 H new ATOM 0 HB3 ALA A 28 6.954 -3.535 4.861 1.00 72.23 H new ATOM 421 N VAL A 29 5.611 -4.253 8.579 1.00 64.30 N ATOM 422 CA VAL A 29 4.440 -3.680 9.224 1.00 70.31 C ATOM 423 C VAL A 29 4.677 -2.169 9.266 1.00 22.14 C ATOM 424 O VAL A 29 5.704 -1.720 9.789 1.00 31.04 O ATOM 425 CB VAL A 29 4.240 -4.240 10.653 1.00 5.14 C ATOM 426 CG1 VAL A 29 2.848 -3.887 11.193 1.00 73.03 C ATOM 427 CG2 VAL A 29 4.438 -5.753 10.807 1.00 1.43 C ATOM 0 H VAL A 29 6.306 -4.592 9.244 1.00 64.30 H new ATOM 0 HA VAL A 29 3.535 -3.933 8.671 1.00 70.31 H new ATOM 0 HB VAL A 29 5.032 -3.759 11.227 1.00 5.14 H new ATOM 0 HG11 VAL A 29 2.734 -4.293 12.198 1.00 73.03 H new ATOM 0 HG12 VAL A 29 2.734 -2.803 11.224 1.00 73.03 H new ATOM 0 HG13 VAL A 29 2.086 -4.314 10.541 1.00 73.03 H new ATOM 0 HG21 VAL A 29 4.274 -6.037 11.846 1.00 1.43 H new ATOM 0 HG22 VAL A 29 3.727 -6.280 10.170 1.00 1.43 H new ATOM 0 HG23 VAL A 29 5.454 -6.019 10.514 1.00 1.43 H new ATOM 437 N LEU A 30 3.762 -1.396 8.686 1.00 44.10 N ATOM 438 CA LEU A 30 3.661 0.044 8.881 1.00 63.20 C ATOM 439 C LEU A 30 2.634 0.340 9.977 1.00 73.13 C ATOM 440 O LEU A 30 1.797 -0.508 10.290 1.00 4.23 O ATOM 441 CB LEU A 30 3.163 0.731 7.602 1.00 35.23 C ATOM 442 CG LEU A 30 3.889 0.490 6.276 1.00 11.14 C ATOM 443 CD1 LEU A 30 5.394 0.743 6.381 1.00 23.01 C ATOM 444 CD2 LEU A 30 3.591 -0.860 5.619 1.00 75.32 C ATOM 0 H LEU A 30 3.054 -1.765 8.052 1.00 44.10 H new ATOM 0 HA LEU A 30 4.650 0.415 9.149 1.00 63.20 H new ATOM 0 HB2 LEU A 30 2.122 0.439 7.460 1.00 35.23 H new ATOM 0 HB3 LEU A 30 3.171 1.805 7.786 1.00 35.23 H new ATOM 0 HG LEU A 30 3.469 1.236 5.601 1.00 11.14 H new ATOM 0 HD11 LEU A 30 5.862 0.558 5.414 1.00 23.01 H new ATOM 0 HD12 LEU A 30 5.569 1.777 6.677 1.00 23.01 H new ATOM 0 HD13 LEU A 30 5.824 0.074 7.126 1.00 23.01 H new ATOM 0 HD21 LEU A 30 4.149 -0.942 4.686 1.00 75.32 H new ATOM 0 HD22 LEU A 30 3.888 -1.665 6.291 1.00 75.32 H new ATOM 0 HD23 LEU A 30 2.524 -0.936 5.411 1.00 75.32 H new ATOM 456 N SER A 31 2.622 1.572 10.480 1.00 2.52 N ATOM 457 CA SER A 31 1.516 2.114 11.252 1.00 20.02 C ATOM 458 C SER A 31 0.408 2.624 10.320 1.00 72.44 C ATOM 459 O SER A 31 0.640 2.944 9.153 1.00 71.21 O ATOM 460 CB SER A 31 2.044 3.246 12.143 1.00 32.13 C ATOM 461 OG SER A 31 1.092 3.580 13.137 1.00 53.52 O ATOM 0 H SER A 31 3.393 2.228 10.359 1.00 2.52 H new ATOM 0 HA SER A 31 1.086 1.332 11.878 1.00 20.02 H new ATOM 0 HB2 SER A 31 2.978 2.940 12.614 1.00 32.13 H new ATOM 0 HB3 SER A 31 2.266 4.123 11.534 1.00 32.13 H new ATOM 0 HG SER A 31 1.444 4.302 13.698 1.00 53.52 H new ATOM 467 N SER A 32 -0.796 2.792 10.863 1.00 0.32 N ATOM 468 CA SER A 32 -1.962 3.344 10.184 1.00 21.45 C ATOM 469 C SER A 32 -1.680 4.738 9.609 1.00 72.13 C ATOM 470 O SER A 32 -2.118 5.040 8.495 1.00 32.33 O ATOM 471 CB SER A 32 -3.120 3.341 11.197 1.00 13.24 C ATOM 472 OG SER A 32 -4.066 4.377 11.031 1.00 35.32 O ATOM 0 H SER A 32 -0.992 2.535 11.831 1.00 0.32 H new ATOM 0 HA SER A 32 -2.228 2.735 9.320 1.00 21.45 H new ATOM 0 HB2 SER A 32 -3.637 2.384 11.131 1.00 13.24 H new ATOM 0 HB3 SER A 32 -2.703 3.409 12.202 1.00 13.24 H new ATOM 0 HG SER A 32 -4.764 4.296 11.715 1.00 35.32 H new ATOM 478 N SER A 33 -0.968 5.614 10.333 1.00 21.42 N ATOM 479 CA SER A 33 -0.734 6.977 9.847 1.00 62.41 C ATOM 480 C SER A 33 0.079 6.960 8.550 1.00 53.43 C ATOM 481 O SER A 33 -0.137 7.778 7.655 1.00 60.25 O ATOM 482 CB SER A 33 -0.025 7.818 10.913 1.00 33.42 C ATOM 483 OG SER A 33 -0.317 9.192 10.726 1.00 31.42 O ATOM 0 H SER A 33 -0.552 5.406 11.241 1.00 21.42 H new ATOM 0 HA SER A 33 -1.702 7.432 9.638 1.00 62.41 H new ATOM 0 HB2 SER A 33 -0.344 7.503 11.907 1.00 33.42 H new ATOM 0 HB3 SER A 33 1.052 7.657 10.857 1.00 33.42 H new ATOM 0 HG SER A 33 0.140 9.720 11.414 1.00 31.42 H new ATOM 489 N ASN A 34 0.993 5.997 8.450 1.00 42.44 N ATOM 490 CA ASN A 34 1.901 5.797 7.337 1.00 55.43 C ATOM 491 C ASN A 34 1.160 5.255 6.116 1.00 12.23 C ATOM 492 O ASN A 34 1.743 5.289 5.038 1.00 14.12 O ATOM 493 CB ASN A 34 3.022 4.841 7.766 1.00 75.01 C ATOM 494 CG ASN A 34 3.929 5.503 8.788 1.00 33.43 C ATOM 495 OD1 ASN A 34 3.491 5.909 9.863 1.00 52.35 O ATOM 496 ND2 ASN A 34 5.187 5.687 8.450 1.00 60.31 N ATOM 0 H ASN A 34 1.122 5.302 9.185 1.00 42.44 H new ATOM 0 HA ASN A 34 2.336 6.756 7.054 1.00 55.43 H new ATOM 0 HB2 ASN A 34 2.591 3.933 8.189 1.00 75.01 H new ATOM 0 HB3 ASN A 34 3.605 4.542 6.895 1.00 75.01 H new ATOM 0 HD21 ASN A 34 5.820 6.175 9.085 1.00 60.31 H new ATOM 0 HD22 ASN A 34 5.530 5.342 7.553 1.00 60.31 H new ATOM 503 N VAL A 35 -0.079 4.757 6.260 1.00 13.14 N ATOM 504 CA VAL A 35 -0.829 4.050 5.226 1.00 42.33 C ATOM 505 C VAL A 35 -2.163 4.756 4.959 1.00 2.13 C ATOM 506 O VAL A 35 -3.201 4.463 5.558 1.00 41.53 O ATOM 507 CB VAL A 35 -0.928 2.549 5.546 1.00 62.40 C ATOM 508 CG1 VAL A 35 -1.609 1.790 4.399 1.00 64.10 C ATOM 509 CG2 VAL A 35 0.488 1.973 5.712 1.00 75.10 C ATOM 0 H VAL A 35 -0.599 4.842 7.134 1.00 13.14 H new ATOM 0 HA VAL A 35 -0.292 4.090 4.279 1.00 42.33 H new ATOM 0 HB VAL A 35 -1.512 2.434 6.459 1.00 62.40 H new ATOM 0 HG11 VAL A 35 -1.668 0.730 4.648 1.00 64.10 H new ATOM 0 HG12 VAL A 35 -2.614 2.184 4.249 1.00 64.10 H new ATOM 0 HG13 VAL A 35 -1.029 1.916 3.485 1.00 64.10 H new ATOM 0 HG21 VAL A 35 0.424 0.909 5.939 1.00 75.10 H new ATOM 0 HG22 VAL A 35 1.049 2.114 4.788 1.00 75.10 H new ATOM 0 HG23 VAL A 35 0.997 2.488 6.527 1.00 75.10 H new ATOM 519 N ARG A 36 -2.146 5.719 4.036 1.00 52.44 N ATOM 520 CA ARG A 36 -3.328 6.504 3.678 1.00 33.02 C ATOM 521 C ARG A 36 -4.243 5.671 2.778 1.00 73.55 C ATOM 522 O ARG A 36 -3.989 5.560 1.577 1.00 2.44 O ATOM 523 CB ARG A 36 -2.924 7.862 3.047 1.00 74.02 C ATOM 524 CG ARG A 36 -3.599 9.043 3.767 1.00 41.53 C ATOM 525 CD ARG A 36 -5.131 9.094 3.607 1.00 13.00 C ATOM 526 NE ARG A 36 -5.742 9.664 4.821 1.00 33.41 N ATOM 527 CZ ARG A 36 -6.982 9.487 5.293 1.00 21.50 C ATOM 528 NH1 ARG A 36 -7.906 8.842 4.589 1.00 42.44 N ATOM 529 NH2 ARG A 36 -7.306 9.930 6.500 1.00 43.02 N ATOM 0 H ARG A 36 -1.309 5.977 3.514 1.00 52.44 H new ATOM 0 HA ARG A 36 -3.892 6.750 4.578 1.00 33.02 H new ATOM 0 HB2 ARG A 36 -1.841 7.978 3.093 1.00 74.02 H new ATOM 0 HB3 ARG A 36 -3.201 7.871 1.993 1.00 74.02 H new ATOM 0 HG2 ARG A 36 -3.358 8.991 4.829 1.00 41.53 H new ATOM 0 HG3 ARG A 36 -3.175 9.973 3.389 1.00 41.53 H new ATOM 0 HD2 ARG A 36 -5.395 9.697 2.738 1.00 13.00 H new ATOM 0 HD3 ARG A 36 -5.521 8.092 3.429 1.00 13.00 H new ATOM 0 HE ARG A 36 -5.141 10.274 5.375 1.00 33.41 H new ATOM 0 HH11 ARG A 36 -7.677 8.469 3.668 1.00 42.44 H new ATOM 0 HH12 ARG A 36 -8.844 8.720 4.970 1.00 42.44 H new ATOM 0 HH21 ARG A 36 -6.609 10.407 7.072 1.00 43.02 H new ATOM 0 HH22 ARG A 36 -8.252 9.793 6.856 1.00 43.02 H new ATOM 543 N VAL A 37 -5.307 5.096 3.337 1.00 15.34 N ATOM 544 CA VAL A 37 -6.396 4.448 2.605 1.00 54.34 C ATOM 545 C VAL A 37 -7.484 5.500 2.347 1.00 52.01 C ATOM 546 O VAL A 37 -8.138 5.939 3.296 1.00 32.11 O ATOM 547 CB VAL A 37 -6.885 3.209 3.401 1.00 20.14 C ATOM 548 CG1 VAL A 37 -7.967 2.396 2.683 1.00 20.13 C ATOM 549 CG2 VAL A 37 -5.718 2.228 3.608 1.00 20.41 C ATOM 0 H VAL A 37 -5.440 5.067 4.348 1.00 15.34 H new ATOM 0 HA VAL A 37 -6.075 4.070 1.635 1.00 54.34 H new ATOM 0 HB VAL A 37 -7.288 3.614 4.329 1.00 20.14 H new ATOM 0 HG11 VAL A 37 -8.256 1.547 3.303 1.00 20.13 H new ATOM 0 HG12 VAL A 37 -8.837 3.027 2.503 1.00 20.13 H new ATOM 0 HG13 VAL A 37 -7.579 2.034 1.731 1.00 20.13 H new ATOM 0 HG21 VAL A 37 -6.067 1.360 4.167 1.00 20.41 H new ATOM 0 HG22 VAL A 37 -5.337 1.906 2.639 1.00 20.41 H new ATOM 0 HG23 VAL A 37 -4.922 2.722 4.165 1.00 20.41 H new ATOM 559 N ILE A 38 -7.658 5.957 1.098 1.00 40.14 N ATOM 560 CA ILE A 38 -8.802 6.806 0.744 1.00 41.45 C ATOM 561 C ILE A 38 -10.069 5.945 0.806 1.00 51.34 C ATOM 562 O ILE A 38 -10.052 4.805 0.327 1.00 63.10 O ATOM 563 CB ILE A 38 -8.689 7.440 -0.672 1.00 34.12 C ATOM 564 CG1 ILE A 38 -7.327 8.111 -0.959 1.00 35.10 C ATOM 565 CG2 ILE A 38 -9.830 8.469 -0.844 1.00 23.13 C ATOM 566 CD1 ILE A 38 -7.255 8.694 -2.381 1.00 63.51 C ATOM 0 H ILE A 38 -7.026 5.754 0.323 1.00 40.14 H new ATOM 0 HA ILE A 38 -8.831 7.633 1.454 1.00 41.45 H new ATOM 0 HB ILE A 38 -8.772 6.627 -1.393 1.00 34.12 H new ATOM 0 HG12 ILE A 38 -7.155 8.906 -0.233 1.00 35.10 H new ATOM 0 HG13 ILE A 38 -6.529 7.381 -0.827 1.00 35.10 H new ATOM 0 HG21 ILE A 38 -9.765 8.923 -1.833 1.00 23.13 H new ATOM 0 HG22 ILE A 38 -10.792 7.967 -0.738 1.00 23.13 H new ATOM 0 HG23 ILE A 38 -9.739 9.244 -0.083 1.00 23.13 H new ATOM 0 HD11 ILE A 38 -6.280 9.155 -2.536 1.00 63.51 H new ATOM 0 HD12 ILE A 38 -7.399 7.896 -3.109 1.00 63.51 H new ATOM 0 HD13 ILE A 38 -8.035 9.445 -2.506 1.00 63.51 H new ATOM 578 N LYS A 39 -11.172 6.519 1.303 1.00 1.41 N ATOM 579 CA LYS A 39 -12.513 5.945 1.203 1.00 73.51 C ATOM 580 C LYS A 39 -13.446 6.938 0.521 1.00 51.30 C ATOM 581 O LYS A 39 -13.292 8.145 0.753 1.00 64.35 O ATOM 582 CB LYS A 39 -13.073 5.545 2.573 1.00 61.43 C ATOM 583 CG LYS A 39 -12.102 4.726 3.444 1.00 34.13 C ATOM 584 CD LYS A 39 -11.382 5.542 4.528 1.00 0.12 C ATOM 585 CE LYS A 39 -10.628 4.646 5.518 1.00 63.50 C ATOM 586 NZ LYS A 39 -11.523 3.800 6.343 1.00 64.22 N ATOM 0 H LYS A 39 -11.153 7.412 1.795 1.00 1.41 H new ATOM 0 HA LYS A 39 -12.443 5.036 0.606 1.00 73.51 H new ATOM 0 HB2 LYS A 39 -13.354 6.448 3.115 1.00 61.43 H new ATOM 0 HB3 LYS A 39 -13.985 4.966 2.424 1.00 61.43 H new ATOM 0 HG2 LYS A 39 -12.655 3.918 3.922 1.00 34.13 H new ATOM 0 HG3 LYS A 39 -11.356 4.263 2.798 1.00 34.13 H new ATOM 0 HD2 LYS A 39 -10.681 6.231 4.057 1.00 0.12 H new ATOM 0 HD3 LYS A 39 -12.109 6.147 5.069 1.00 0.12 H new ATOM 0 HE2 LYS A 39 -9.941 4.005 4.966 1.00 63.50 H new ATOM 0 HE3 LYS A 39 -10.023 5.271 6.175 1.00 63.50 H new ATOM 0 HZ1 LYS A 39 -10.983 3.389 7.131 1.00 64.22 H new ATOM 0 HZ2 LYS A 39 -12.299 4.381 6.721 1.00 64.22 H new ATOM 0 HZ3 LYS A 39 -11.916 3.036 5.757 1.00 64.22 H new ATOM 600 N ASP A 40 -14.369 6.473 -0.323 1.00 21.52 N ATOM 601 CA ASP A 40 -15.316 7.332 -1.028 1.00 21.51 C ATOM 602 C ASP A 40 -16.465 7.763 -0.123 1.00 20.53 C ATOM 603 O ASP A 40 -16.686 7.174 0.936 1.00 24.25 O ATOM 604 CB ASP A 40 -15.852 6.609 -2.269 1.00 60.50 C ATOM 605 CG ASP A 40 -15.536 7.449 -3.493 1.00 75.14 C ATOM 606 OD1 ASP A 40 -14.575 7.128 -4.224 1.00 35.21 O ATOM 607 OD2 ASP A 40 -16.216 8.479 -3.681 1.00 44.32 O ATOM 0 H ASP A 40 -14.479 5.482 -0.537 1.00 21.52 H new ATOM 0 HA ASP A 40 -14.788 8.234 -1.338 1.00 21.51 H new ATOM 0 HB2 ASP A 40 -15.396 5.623 -2.359 1.00 60.50 H new ATOM 0 HB3 ASP A 40 -16.928 6.456 -2.183 1.00 60.50 H new ATOM 612 N LYS A 41 -17.221 8.782 -0.540 1.00 31.54 N ATOM 613 CA LYS A 41 -18.378 9.267 0.206 1.00 21.15 C ATOM 614 C LYS A 41 -19.582 8.413 -0.132 1.00 41.01 C ATOM 615 O LYS A 41 -20.177 7.842 0.777 1.00 71.30 O ATOM 616 CB LYS A 41 -18.660 10.754 -0.088 1.00 34.42 C ATOM 617 CG LYS A 41 -18.284 11.689 1.067 1.00 24.14 C ATOM 618 CD LYS A 41 -18.821 13.094 0.775 1.00 52.15 C ATOM 619 CE LYS A 41 -18.696 14.037 1.974 1.00 42.45 C ATOM 620 NZ LYS A 41 -19.727 13.812 3.011 1.00 21.11 N ATOM 0 H LYS A 41 -17.045 9.292 -1.406 1.00 31.54 H new ATOM 0 HA LYS A 41 -18.164 9.188 1.272 1.00 21.15 H new ATOM 0 HB2 LYS A 41 -18.107 11.051 -0.979 1.00 34.42 H new ATOM 0 HB3 LYS A 41 -19.719 10.877 -0.314 1.00 34.42 H new ATOM 0 HG2 LYS A 41 -18.700 11.315 2.003 1.00 24.14 H new ATOM 0 HG3 LYS A 41 -17.201 11.719 1.188 1.00 24.14 H new ATOM 0 HD2 LYS A 41 -18.280 13.516 -0.072 1.00 52.15 H new ATOM 0 HD3 LYS A 41 -19.868 13.024 0.481 1.00 52.15 H new ATOM 0 HE2 LYS A 41 -17.709 13.915 2.421 1.00 42.45 H new ATOM 0 HE3 LYS A 41 -18.762 15.067 1.624 1.00 42.45 H new ATOM 0 HZ1 LYS A 41 -19.585 14.483 3.793 1.00 21.11 H new ATOM 0 HZ2 LYS A 41 -20.671 13.956 2.599 1.00 21.11 H new ATOM 0 HZ3 LYS A 41 -19.651 12.839 3.371 1.00 21.11 H new ATOM 634 N GLN A 42 -19.968 8.374 -1.410 1.00 75.12 N ATOM 635 CA GLN A 42 -21.246 7.793 -1.813 1.00 43.32 C ATOM 636 C GLN A 42 -21.259 6.311 -1.460 1.00 73.22 C ATOM 637 O GLN A 42 -22.154 5.850 -0.749 1.00 72.22 O ATOM 638 CB GLN A 42 -21.545 8.008 -3.315 1.00 2.02 C ATOM 639 CG GLN A 42 -22.824 8.815 -3.581 1.00 13.44 C ATOM 640 CD GLN A 42 -24.046 8.288 -2.830 1.00 43.04 C ATOM 641 OE1 GLN A 42 -24.453 7.144 -3.009 1.00 53.03 O ATOM 642 NE2 GLN A 42 -24.640 9.088 -1.964 1.00 1.13 N ATOM 0 H GLN A 42 -19.411 8.739 -2.183 1.00 75.12 H new ATOM 0 HA GLN A 42 -22.038 8.306 -1.267 1.00 43.32 H new ATOM 0 HB2 GLN A 42 -20.700 8.521 -3.775 1.00 2.02 H new ATOM 0 HB3 GLN A 42 -21.631 7.037 -3.802 1.00 2.02 H new ATOM 0 HG2 GLN A 42 -22.654 9.854 -3.298 1.00 13.44 H new ATOM 0 HG3 GLN A 42 -23.033 8.806 -4.651 1.00 13.44 H new ATOM 0 HE21 GLN A 42 -24.292 10.037 -1.824 1.00 1.13 H new ATOM 0 HE22 GLN A 42 -25.447 8.757 -1.435 1.00 1.13 H new ATOM 651 N THR A 43 -20.244 5.583 -1.917 1.00 71.24 N ATOM 652 CA THR A 43 -20.181 4.142 -1.763 1.00 15.04 C ATOM 653 C THR A 43 -19.742 3.766 -0.344 1.00 14.12 C ATOM 654 O THR A 43 -19.985 2.640 0.086 1.00 21.54 O ATOM 655 CB THR A 43 -19.218 3.568 -2.816 1.00 4.41 C ATOM 656 OG1 THR A 43 -17.949 4.178 -2.688 1.00 33.35 O ATOM 657 CG2 THR A 43 -19.653 3.778 -4.266 1.00 54.42 C ATOM 0 H THR A 43 -19.442 5.982 -2.405 1.00 71.24 H new ATOM 0 HA THR A 43 -21.172 3.715 -1.917 1.00 15.04 H new ATOM 0 HB THR A 43 -19.203 2.496 -2.619 1.00 4.41 H new ATOM 0 HG1 THR A 43 -17.339 3.808 -3.360 1.00 33.35 H new ATOM 0 HG21 THR A 43 -18.912 3.340 -4.935 1.00 54.42 H new ATOM 0 HG22 THR A 43 -20.618 3.298 -4.429 1.00 54.42 H new ATOM 0 HG23 THR A 43 -19.739 4.845 -4.469 1.00 54.42 H new ATOM 665 N GLN A 44 -19.065 4.674 0.379 1.00 62.30 N ATOM 666 CA GLN A 44 -18.377 4.417 1.648 1.00 42.30 C ATOM 667 C GLN A 44 -17.167 3.467 1.510 1.00 61.40 C ATOM 668 O GLN A 44 -16.408 3.317 2.473 1.00 73.43 O ATOM 669 CB GLN A 44 -19.350 3.970 2.753 1.00 73.41 C ATOM 670 CG GLN A 44 -20.621 4.825 2.947 1.00 13.34 C ATOM 671 CD GLN A 44 -20.448 5.996 3.913 1.00 71.41 C ATOM 672 OE1 GLN A 44 -19.943 5.830 5.019 1.00 62.24 O ATOM 673 NE2 GLN A 44 -20.898 7.187 3.564 1.00 51.30 N ATOM 0 H GLN A 44 -18.981 5.646 0.080 1.00 62.30 H new ATOM 0 HA GLN A 44 -17.960 5.375 1.958 1.00 42.30 H new ATOM 0 HB2 GLN A 44 -19.658 2.946 2.541 1.00 73.41 H new ATOM 0 HB3 GLN A 44 -18.806 3.950 3.697 1.00 73.41 H new ATOM 0 HG2 GLN A 44 -20.936 5.212 1.978 1.00 13.34 H new ATOM 0 HG3 GLN A 44 -21.424 4.184 3.311 1.00 13.34 H new ATOM 0 HE21 GLN A 44 -21.318 7.324 2.645 1.00 51.30 H new ATOM 0 HE22 GLN A 44 -20.826 7.970 4.214 1.00 51.30 H new ATOM 682 N LEU A 45 -17.025 2.775 0.373 1.00 72.43 N ATOM 683 CA LEU A 45 -15.949 1.869 -0.039 1.00 24.44 C ATOM 684 C LEU A 45 -14.630 2.619 -0.198 1.00 51.23 C ATOM 685 O LEU A 45 -14.525 3.779 0.181 1.00 24.41 O ATOM 686 CB LEU A 45 -16.278 1.270 -1.414 1.00 4.12 C ATOM 687 CG LEU A 45 -17.598 0.518 -1.527 1.00 44.01 C ATOM 688 CD1 LEU A 45 -17.804 0.262 -3.020 1.00 34.54 C ATOM 689 CD2 LEU A 45 -17.590 -0.725 -0.638 1.00 2.32 C ATOM 0 H LEU A 45 -17.735 2.844 -0.356 1.00 72.43 H new ATOM 0 HA LEU A 45 -15.859 1.100 0.729 1.00 24.44 H new ATOM 0 HB2 LEU A 45 -16.281 2.077 -2.146 1.00 4.12 H new ATOM 0 HB3 LEU A 45 -15.473 0.590 -1.692 1.00 4.12 H new ATOM 0 HG LEU A 45 -18.453 1.083 -1.155 1.00 44.01 H new ATOM 0 HD11 LEU A 45 -18.739 -0.277 -3.171 1.00 34.54 H new ATOM 0 HD12 LEU A 45 -17.844 1.214 -3.550 1.00 34.54 H new ATOM 0 HD13 LEU A 45 -16.976 -0.333 -3.405 1.00 34.54 H new ATOM 0 HD21 LEU A 45 -18.542 -1.247 -0.734 1.00 2.32 H new ATOM 0 HD22 LEU A 45 -16.781 -1.387 -0.945 1.00 2.32 H new ATOM 0 HD23 LEU A 45 -17.442 -0.429 0.400 1.00 2.32 H new ATOM 701 N ASN A 46 -13.632 1.983 -0.808 1.00 33.45 N ATOM 702 CA ASN A 46 -12.350 2.575 -1.134 1.00 51.14 C ATOM 703 C ASN A 46 -12.215 2.885 -2.629 1.00 40.33 C ATOM 704 O ASN A 46 -13.032 2.467 -3.452 1.00 34.43 O ATOM 705 CB ASN A 46 -11.242 1.696 -0.554 1.00 3.05 C ATOM 706 CG ASN A 46 -10.975 0.401 -1.300 1.00 61.20 C ATOM 707 OD1 ASN A 46 -10.979 0.345 -2.520 1.00 14.41 O ATOM 708 ND2 ASN A 46 -10.728 -0.655 -0.562 1.00 34.21 N ATOM 0 H ASN A 46 -13.703 1.007 -1.096 1.00 33.45 H new ATOM 0 HA ASN A 46 -12.260 3.556 -0.668 1.00 51.14 H new ATOM 0 HB2 ASN A 46 -10.319 2.276 -0.527 1.00 3.05 H new ATOM 0 HB3 ASN A 46 -11.497 1.454 0.478 1.00 3.05 H new ATOM 0 HD21 ASN A 46 -10.533 -1.553 -1.005 1.00 34.21 H new ATOM 0 HD22 ASN A 46 -10.731 -0.578 0.455 1.00 34.21 H new ATOM 715 N ARG A 47 -11.166 3.638 -2.968 1.00 64.40 N ATOM 716 CA ARG A 47 -10.788 4.023 -4.343 1.00 64.21 C ATOM 717 C ARG A 47 -9.881 2.977 -5.007 1.00 62.51 C ATOM 718 O ARG A 47 -9.594 3.050 -6.202 1.00 55.14 O ATOM 719 CB ARG A 47 -10.182 5.431 -4.384 1.00 63.42 C ATOM 720 CG ARG A 47 -11.297 6.480 -4.561 1.00 14.42 C ATOM 721 CD ARG A 47 -10.911 7.852 -4.017 1.00 35.11 C ATOM 722 NE ARG A 47 -10.964 8.972 -4.979 1.00 11.43 N ATOM 723 CZ ARG A 47 -12.020 9.740 -5.292 1.00 22.33 C ATOM 724 NH1 ARG A 47 -13.260 9.398 -4.947 1.00 0.41 N ATOM 725 NH2 ARG A 47 -11.834 10.899 -5.907 1.00 2.43 N ATOM 0 H ARG A 47 -10.526 4.015 -2.269 1.00 64.40 H new ATOM 0 HA ARG A 47 -11.703 4.053 -4.934 1.00 64.21 H new ATOM 0 HB2 ARG A 47 -9.631 5.626 -3.464 1.00 63.42 H new ATOM 0 HB3 ARG A 47 -9.468 5.505 -5.205 1.00 63.42 H new ATOM 0 HG2 ARG A 47 -11.540 6.570 -5.620 1.00 14.42 H new ATOM 0 HG3 ARG A 47 -12.198 6.134 -4.055 1.00 14.42 H new ATOM 0 HD2 ARG A 47 -11.569 8.087 -3.181 1.00 35.11 H new ATOM 0 HD3 ARG A 47 -9.899 7.790 -3.618 1.00 35.11 H new ATOM 0 HE ARG A 47 -10.093 9.188 -5.464 1.00 11.43 H new ATOM 0 HH11 ARG A 47 -13.426 8.533 -4.432 1.00 0.41 H new ATOM 0 HH12 ARG A 47 -14.044 10.001 -5.198 1.00 0.41 H new ATOM 0 HH21 ARG A 47 -10.890 11.206 -6.142 1.00 2.43 H new ATOM 0 HH22 ARG A 47 -12.635 11.484 -6.146 1.00 2.43 H new ATOM 739 N GLY A 48 -9.344 2.059 -4.210 1.00 63.22 N ATOM 740 CA GLY A 48 -8.651 0.872 -4.677 1.00 51.20 C ATOM 741 C GLY A 48 -7.139 1.039 -4.807 1.00 42.43 C ATOM 742 O GLY A 48 -6.439 0.147 -5.287 1.00 54.02 O ATOM 0 H GLY A 48 -9.382 2.126 -3.193 1.00 63.22 H new ATOM 0 HA2 GLY A 48 -8.857 0.051 -3.990 1.00 51.20 H new ATOM 0 HA3 GLY A 48 -9.058 0.585 -5.647 1.00 51.20 H new ATOM 746 N PHE A 49 -6.600 2.115 -4.236 1.00 55.12 N ATOM 747 CA PHE A 49 -5.177 2.361 -4.074 1.00 21.34 C ATOM 748 C PHE A 49 -4.973 3.036 -2.719 1.00 3.05 C ATOM 749 O PHE A 49 -5.934 3.528 -2.111 1.00 32.43 O ATOM 750 CB PHE A 49 -4.647 3.205 -5.243 1.00 71.31 C ATOM 751 CG PHE A 49 -5.367 4.520 -5.443 1.00 61.44 C ATOM 752 CD1 PHE A 49 -6.511 4.580 -6.261 1.00 62.42 C ATOM 753 CD2 PHE A 49 -4.912 5.675 -4.783 1.00 20.54 C ATOM 754 CE1 PHE A 49 -7.198 5.795 -6.414 1.00 62.50 C ATOM 755 CE2 PHE A 49 -5.613 6.883 -4.931 1.00 33.43 C ATOM 756 CZ PHE A 49 -6.758 6.944 -5.741 1.00 64.41 C ATOM 0 H PHE A 49 -7.173 2.870 -3.859 1.00 55.12 H new ATOM 0 HA PHE A 49 -4.610 1.430 -4.091 1.00 21.34 H new ATOM 0 HB2 PHE A 49 -3.588 3.406 -5.079 1.00 71.31 H new ATOM 0 HB3 PHE A 49 -4.722 2.621 -6.160 1.00 71.31 H new ATOM 0 HD1 PHE A 49 -6.860 3.693 -6.770 1.00 62.42 H new ATOM 0 HD2 PHE A 49 -4.027 5.634 -4.165 1.00 20.54 H new ATOM 0 HE1 PHE A 49 -8.068 5.845 -7.052 1.00 62.50 H new ATOM 0 HE2 PHE A 49 -5.269 7.770 -4.419 1.00 33.43 H new ATOM 0 HZ PHE A 49 -7.298 7.873 -5.846 1.00 64.41 H new ATOM 766 N ALA A 50 -3.749 3.003 -2.198 1.00 52.43 N ATOM 767 CA ALA A 50 -3.396 3.551 -0.896 1.00 32.42 C ATOM 768 C ALA A 50 -1.892 3.817 -0.850 1.00 43.14 C ATOM 769 O ALA A 50 -1.150 3.298 -1.687 1.00 52.31 O ATOM 770 CB ALA A 50 -3.822 2.571 0.204 1.00 13.31 C ATOM 0 H ALA A 50 -2.957 2.583 -2.684 1.00 52.43 H new ATOM 0 HA ALA A 50 -3.916 4.494 -0.731 1.00 32.42 H new ATOM 0 HB1 ALA A 50 -3.558 2.981 1.179 1.00 13.31 H new ATOM 0 HB2 ALA A 50 -4.900 2.416 0.156 1.00 13.31 H new ATOM 0 HB3 ALA A 50 -3.312 1.619 0.061 1.00 13.31 H new ATOM 776 N PHE A 51 -1.442 4.588 0.138 1.00 34.31 N ATOM 777 CA PHE A 51 -0.159 5.282 0.133 1.00 12.34 C ATOM 778 C PHE A 51 0.631 4.911 1.372 1.00 21.41 C ATOM 779 O PHE A 51 0.227 5.305 2.460 1.00 61.03 O ATOM 780 CB PHE A 51 -0.432 6.790 0.139 1.00 54.53 C ATOM 781 CG PHE A 51 -1.180 7.252 -1.084 1.00 1.02 C ATOM 782 CD1 PHE A 51 -2.570 7.437 -1.020 1.00 60.22 C ATOM 783 CD2 PHE A 51 -0.497 7.455 -2.291 1.00 24.32 C ATOM 784 CE1 PHE A 51 -3.279 7.842 -2.158 1.00 32.30 C ATOM 785 CE2 PHE A 51 -1.211 7.845 -3.433 1.00 72.21 C ATOM 786 CZ PHE A 51 -2.598 8.045 -3.371 1.00 32.53 C ATOM 0 H PHE A 51 -1.978 4.751 0.990 1.00 34.31 H new ATOM 0 HA PHE A 51 0.415 5.000 -0.750 1.00 12.34 H new ATOM 0 HB2 PHE A 51 -1.006 7.047 1.029 1.00 54.53 H new ATOM 0 HB3 PHE A 51 0.515 7.326 0.204 1.00 54.53 H new ATOM 0 HD1 PHE A 51 -3.094 7.267 -0.091 1.00 60.22 H new ATOM 0 HD2 PHE A 51 0.572 7.312 -2.341 1.00 24.32 H new ATOM 0 HE1 PHE A 51 -4.346 7.998 -2.104 1.00 32.30 H new ATOM 0 HE2 PHE A 51 -0.689 7.992 -4.367 1.00 72.21 H new ATOM 0 HZ PHE A 51 -3.141 8.354 -4.252 1.00 32.53 H new ATOM 796 N ILE A 52 1.723 4.169 1.218 1.00 33.11 N ATOM 797 CA ILE A 52 2.718 3.895 2.244 1.00 61.24 C ATOM 798 C ILE A 52 3.745 5.026 2.210 1.00 23.21 C ATOM 799 O ILE A 52 4.307 5.324 1.154 1.00 23.00 O ATOM 800 CB ILE A 52 3.388 2.520 2.008 1.00 11.51 C ATOM 801 CG1 ILE A 52 2.349 1.380 1.940 1.00 74.40 C ATOM 802 CG2 ILE A 52 4.484 2.267 3.056 1.00 1.15 C ATOM 803 CD1 ILE A 52 2.901 0.058 1.399 1.00 23.14 C ATOM 0 H ILE A 52 1.947 3.721 0.329 1.00 33.11 H new ATOM 0 HA ILE A 52 2.248 3.850 3.226 1.00 61.24 H new ATOM 0 HB ILE A 52 3.873 2.538 1.032 1.00 11.51 H new ATOM 0 HG12 ILE A 52 1.946 1.211 2.939 1.00 74.40 H new ATOM 0 HG13 ILE A 52 1.518 1.698 1.311 1.00 74.40 H new ATOM 0 HG21 ILE A 52 4.944 1.296 2.874 1.00 1.15 H new ATOM 0 HG22 ILE A 52 5.242 3.047 2.985 1.00 1.15 H new ATOM 0 HG23 ILE A 52 4.044 2.279 4.053 1.00 1.15 H new ATOM 0 HD11 ILE A 52 2.107 -0.689 1.384 1.00 23.14 H new ATOM 0 HD12 ILE A 52 3.277 0.208 0.387 1.00 23.14 H new ATOM 0 HD13 ILE A 52 3.712 -0.287 2.040 1.00 23.14 H new ATOM 815 N GLN A 53 4.019 5.622 3.370 1.00 0.53 N ATOM 816 CA GLN A 53 5.095 6.571 3.583 1.00 42.42 C ATOM 817 C GLN A 53 6.038 6.023 4.656 1.00 53.32 C ATOM 818 O GLN A 53 5.589 5.452 5.651 1.00 15.33 O ATOM 819 CB GLN A 53 4.500 7.925 3.998 1.00 24.13 C ATOM 820 CG GLN A 53 3.941 8.729 2.809 1.00 33.03 C ATOM 821 CD GLN A 53 2.417 8.842 2.773 1.00 41.54 C ATOM 822 OE1 GLN A 53 1.666 7.784 3.035 1.00 73.21 O flip ATOM 823 NE2 GLN A 53 1.880 9.910 2.499 1.00 34.03 N flip ATOM 0 H GLN A 53 3.474 5.446 4.214 1.00 0.53 H new ATOM 0 HA GLN A 53 5.665 6.717 2.666 1.00 42.42 H new ATOM 0 HB2 GLN A 53 3.703 7.758 4.723 1.00 24.13 H new ATOM 0 HB3 GLN A 53 5.268 8.515 4.499 1.00 24.13 H new ATOM 0 HG2 GLN A 53 4.365 9.733 2.835 1.00 33.03 H new ATOM 0 HG3 GLN A 53 4.279 8.264 1.883 1.00 33.03 H new ATOM 0 HE21 GLN A 53 2.451 10.731 2.296 1.00 34.03 H new ATOM 0 HE22 GLN A 53 0.863 9.978 2.474 1.00 34.03 H new ATOM 832 N LEU A 54 7.341 6.245 4.501 1.00 74.35 N ATOM 833 CA LEU A 54 8.405 5.758 5.375 1.00 21.22 C ATOM 834 C LEU A 54 9.538 6.787 5.405 1.00 4.33 C ATOM 835 O LEU A 54 9.452 7.825 4.751 1.00 14.31 O ATOM 836 CB LEU A 54 8.895 4.374 4.880 1.00 53.33 C ATOM 837 CG LEU A 54 8.272 3.158 5.581 1.00 51.42 C ATOM 838 CD1 LEU A 54 8.814 1.852 4.997 1.00 4.40 C ATOM 839 CD2 LEU A 54 8.598 3.132 7.069 1.00 3.14 C ATOM 0 H LEU A 54 7.701 6.797 3.723 1.00 74.35 H new ATOM 0 HA LEU A 54 8.034 5.631 6.392 1.00 21.22 H new ATOM 0 HB2 LEU A 54 8.692 4.298 3.812 1.00 53.33 H new ATOM 0 HB3 LEU A 54 9.977 4.327 5.003 1.00 53.33 H new ATOM 0 HG LEU A 54 7.196 3.245 5.428 1.00 51.42 H new ATOM 0 HD11 LEU A 54 8.357 1.006 5.511 1.00 4.40 H new ATOM 0 HD12 LEU A 54 8.577 1.802 3.934 1.00 4.40 H new ATOM 0 HD13 LEU A 54 9.895 1.815 5.129 1.00 4.40 H new ATOM 0 HD21 LEU A 54 8.138 2.256 7.527 1.00 3.14 H new ATOM 0 HD22 LEU A 54 9.679 3.087 7.204 1.00 3.14 H new ATOM 0 HD23 LEU A 54 8.210 4.034 7.542 1.00 3.14 H new ATOM 851 N SER A 55 10.606 6.521 6.163 1.00 32.20 N ATOM 852 CA SER A 55 11.871 7.228 5.974 1.00 44.32 C ATOM 853 C SER A 55 12.383 6.969 4.547 1.00 23.13 C ATOM 854 O SER A 55 11.977 5.983 3.932 1.00 33.44 O ATOM 855 CB SER A 55 12.877 6.742 7.027 1.00 72.23 C ATOM 856 OG SER A 55 13.306 7.830 7.820 1.00 12.40 O ATOM 0 H SER A 55 10.618 5.825 6.908 1.00 32.20 H new ATOM 0 HA SER A 55 11.735 8.302 6.099 1.00 44.32 H new ATOM 0 HB2 SER A 55 12.418 5.980 7.657 1.00 72.23 H new ATOM 0 HB3 SER A 55 13.733 6.277 6.538 1.00 72.23 H new ATOM 0 HG SER A 55 13.946 7.513 8.491 1.00 12.40 H new ATOM 862 N THR A 56 13.286 7.809 4.035 1.00 43.21 N ATOM 863 CA THR A 56 13.723 7.760 2.639 1.00 32.43 C ATOM 864 C THR A 56 14.374 6.408 2.337 1.00 40.35 C ATOM 865 O THR A 56 13.889 5.635 1.509 1.00 34.10 O ATOM 866 CB THR A 56 14.666 8.947 2.355 1.00 12.40 C ATOM 867 OG1 THR A 56 15.547 9.154 3.447 1.00 55.43 O ATOM 868 CG2 THR A 56 13.879 10.243 2.149 1.00 4.33 C ATOM 0 H THR A 56 13.736 8.545 4.580 1.00 43.21 H new ATOM 0 HA THR A 56 12.865 7.853 1.974 1.00 32.43 H new ATOM 0 HB THR A 56 15.223 8.701 1.451 1.00 12.40 H new ATOM 0 HG1 THR A 56 16.140 9.909 3.250 1.00 55.43 H new ATOM 0 HG21 THR A 56 14.571 11.061 1.951 1.00 4.33 H new ATOM 0 HG22 THR A 56 13.202 10.127 1.302 1.00 4.33 H new ATOM 0 HG23 THR A 56 13.302 10.465 3.047 1.00 4.33 H new ATOM 876 N ILE A 57 15.462 6.098 3.044 1.00 71.04 N ATOM 877 CA ILE A 57 16.170 4.836 2.898 1.00 63.14 C ATOM 878 C ILE A 57 15.271 3.662 3.279 1.00 11.21 C ATOM 879 O ILE A 57 15.274 2.671 2.550 1.00 52.24 O ATOM 880 CB ILE A 57 17.499 4.849 3.675 1.00 0.21 C ATOM 881 CG1 ILE A 57 18.374 6.039 3.224 1.00 40.22 C ATOM 882 CG2 ILE A 57 18.223 3.504 3.500 1.00 13.30 C ATOM 883 CD1 ILE A 57 19.686 6.161 3.998 1.00 54.31 C ATOM 0 H ILE A 57 15.875 6.723 3.737 1.00 71.04 H new ATOM 0 HA ILE A 57 16.431 4.704 1.848 1.00 63.14 H new ATOM 0 HB ILE A 57 17.296 4.981 4.738 1.00 0.21 H new ATOM 0 HG12 ILE A 57 18.597 5.934 2.162 1.00 40.22 H new ATOM 0 HG13 ILE A 57 17.806 6.962 3.341 1.00 40.22 H new ATOM 0 HG21 ILE A 57 19.162 3.522 4.053 1.00 13.30 H new ATOM 0 HG22 ILE A 57 17.593 2.700 3.880 1.00 13.30 H new ATOM 0 HG23 ILE A 57 18.428 3.336 2.443 1.00 13.30 H new ATOM 0 HD11 ILE A 57 20.249 7.018 3.628 1.00 54.31 H new ATOM 0 HD12 ILE A 57 19.472 6.298 5.058 1.00 54.31 H new ATOM 0 HD13 ILE A 57 20.275 5.254 3.861 1.00 54.31 H new ATOM 895 N GLU A 58 14.503 3.771 4.371 1.00 72.22 N ATOM 896 CA GLU A 58 13.567 2.741 4.813 1.00 71.45 C ATOM 897 C GLU A 58 12.689 2.304 3.641 1.00 74.34 C ATOM 898 O GLU A 58 12.690 1.128 3.265 1.00 13.32 O ATOM 899 CB GLU A 58 12.704 3.255 5.972 1.00 52.15 C ATOM 900 CG GLU A 58 13.389 3.133 7.338 1.00 44.21 C ATOM 901 CD GLU A 58 13.385 1.702 7.908 1.00 22.22 C ATOM 902 OE1 GLU A 58 12.624 0.836 7.438 1.00 11.30 O ATOM 903 OE2 GLU A 58 14.130 1.435 8.878 1.00 71.31 O ATOM 0 H GLU A 58 14.518 4.591 4.978 1.00 72.22 H new ATOM 0 HA GLU A 58 14.133 1.881 5.171 1.00 71.45 H new ATOM 0 HB2 GLU A 58 12.451 4.300 5.792 1.00 52.15 H new ATOM 0 HB3 GLU A 58 11.767 2.699 5.992 1.00 52.15 H new ATOM 0 HG2 GLU A 58 14.420 3.476 7.249 1.00 44.21 H new ATOM 0 HG3 GLU A 58 12.891 3.797 8.045 1.00 44.21 H new ATOM 910 N ALA A 59 11.989 3.274 3.044 1.00 24.11 N ATOM 911 CA ALA A 59 11.086 3.081 1.928 1.00 72.32 C ATOM 912 C ALA A 59 11.831 2.448 0.746 1.00 64.41 C ATOM 913 O ALA A 59 11.387 1.448 0.172 1.00 72.13 O ATOM 914 CB ALA A 59 10.492 4.436 1.497 1.00 34.43 C ATOM 0 H ALA A 59 12.045 4.248 3.343 1.00 24.11 H new ATOM 0 HA ALA A 59 10.282 2.414 2.239 1.00 72.32 H new ATOM 0 HB1 ALA A 59 9.814 4.285 0.657 1.00 34.43 H new ATOM 0 HB2 ALA A 59 9.945 4.875 2.331 1.00 34.43 H new ATOM 0 HB3 ALA A 59 11.297 5.107 1.197 1.00 34.43 H new ATOM 920 N ALA A 60 12.940 3.078 0.341 1.00 24.40 N ATOM 921 CA ALA A 60 13.705 2.743 -0.853 1.00 72.13 C ATOM 922 C ALA A 60 14.211 1.306 -0.792 1.00 15.31 C ATOM 923 O ALA A 60 14.040 0.550 -1.747 1.00 33.00 O ATOM 924 CB ALA A 60 14.865 3.733 -1.026 1.00 32.03 C ATOM 0 H ALA A 60 13.339 3.862 0.858 1.00 24.40 H new ATOM 0 HA ALA A 60 13.051 2.822 -1.721 1.00 72.13 H new ATOM 0 HB1 ALA A 60 15.432 3.476 -1.921 1.00 32.03 H new ATOM 0 HB2 ALA A 60 14.469 4.744 -1.125 1.00 32.03 H new ATOM 0 HB3 ALA A 60 15.519 3.683 -0.155 1.00 32.03 H new ATOM 930 N GLN A 61 14.838 0.917 0.317 1.00 34.03 N ATOM 931 CA GLN A 61 15.288 -0.450 0.534 1.00 41.55 C ATOM 932 C GLN A 61 14.094 -1.400 0.502 1.00 33.05 C ATOM 933 O GLN A 61 14.126 -2.360 -0.261 1.00 72.12 O ATOM 934 CB GLN A 61 15.978 -0.556 1.890 1.00 55.35 C ATOM 935 CG GLN A 61 17.387 0.037 1.959 1.00 43.55 C ATOM 936 CD GLN A 61 18.047 -0.240 3.311 1.00 72.35 C ATOM 937 OE1 GLN A 61 19.261 -0.444 3.385 1.00 64.24 O ATOM 938 NE2 GLN A 61 17.301 -0.261 4.407 1.00 63.21 N ATOM 0 H GLN A 61 15.047 1.547 1.092 1.00 34.03 H new ATOM 0 HA GLN A 61 15.989 -0.721 -0.255 1.00 41.55 H new ATOM 0 HB2 GLN A 61 15.356 -0.059 2.635 1.00 55.35 H new ATOM 0 HB3 GLN A 61 16.031 -1.608 2.170 1.00 55.35 H new ATOM 0 HG2 GLN A 61 17.999 -0.384 1.161 1.00 43.55 H new ATOM 0 HG3 GLN A 61 17.339 1.113 1.790 1.00 43.55 H new ATOM 0 HE21 GLN A 61 16.297 -0.092 4.344 1.00 63.21 H new ATOM 0 HE22 GLN A 61 17.731 -0.446 5.313 1.00 63.21 H new ATOM 947 N LEU A 62 13.048 -1.140 1.299 1.00 23.25 N ATOM 948 CA LEU A 62 11.914 -2.046 1.467 1.00 20.42 C ATOM 949 C LEU A 62 11.307 -2.427 0.118 1.00 12.35 C ATOM 950 O LEU A 62 11.083 -3.607 -0.132 1.00 14.44 O ATOM 951 CB LEU A 62 10.887 -1.412 2.419 1.00 35.12 C ATOM 952 CG LEU A 62 9.633 -2.236 2.780 1.00 73.32 C ATOM 953 CD1 LEU A 62 9.972 -3.613 3.355 1.00 11.33 C ATOM 954 CD2 LEU A 62 8.792 -1.341 3.687 1.00 11.32 C ATOM 0 H LEU A 62 12.969 -0.285 1.849 1.00 23.25 H new ATOM 0 HA LEU A 62 12.258 -2.977 1.917 1.00 20.42 H new ATOM 0 HB2 LEU A 62 11.401 -1.161 3.347 1.00 35.12 H new ATOM 0 HB3 LEU A 62 10.554 -0.474 1.975 1.00 35.12 H new ATOM 0 HG LEU A 62 9.053 -2.501 1.896 1.00 73.32 H new ATOM 0 HD11 LEU A 62 9.051 -4.146 3.590 1.00 11.33 H new ATOM 0 HD12 LEU A 62 10.544 -4.182 2.622 1.00 11.33 H new ATOM 0 HD13 LEU A 62 10.563 -3.493 4.263 1.00 11.33 H new ATOM 0 HD21 LEU A 62 7.885 -1.869 3.979 1.00 11.32 H new ATOM 0 HD22 LEU A 62 9.365 -1.084 4.578 1.00 11.32 H new ATOM 0 HD23 LEU A 62 8.525 -0.430 3.152 1.00 11.32 H new ATOM 966 N LEU A 63 11.109 -1.462 -0.785 1.00 0.31 N ATOM 967 CA LEU A 63 10.647 -1.740 -2.144 1.00 3.22 C ATOM 968 C LEU A 63 11.512 -2.810 -2.810 1.00 15.52 C ATOM 969 O LEU A 63 10.981 -3.785 -3.333 1.00 62.00 O ATOM 970 CB LEU A 63 10.707 -0.445 -2.958 1.00 2.21 C ATOM 971 CG LEU A 63 10.211 -0.586 -4.409 1.00 32.05 C ATOM 972 CD1 LEU A 63 8.696 -0.358 -4.483 1.00 52.13 C ATOM 973 CD2 LEU A 63 10.949 0.409 -5.299 1.00 3.54 C ATOM 0 H LEU A 63 11.264 -0.472 -0.594 1.00 0.31 H new ATOM 0 HA LEU A 63 9.624 -2.113 -2.102 1.00 3.22 H new ATOM 0 HB2 LEU A 63 10.110 0.315 -2.454 1.00 2.21 H new ATOM 0 HB3 LEU A 63 11.736 -0.085 -2.971 1.00 2.21 H new ATOM 0 HG LEU A 63 10.417 -1.597 -4.761 1.00 32.05 H new ATOM 0 HD11 LEU A 63 8.363 -0.461 -5.516 1.00 52.13 H new ATOM 0 HD12 LEU A 63 8.186 -1.094 -3.862 1.00 52.13 H new ATOM 0 HD13 LEU A 63 8.461 0.644 -4.124 1.00 52.13 H new ATOM 0 HD21 LEU A 63 10.598 0.309 -6.326 1.00 3.54 H new ATOM 0 HD22 LEU A 63 10.758 1.423 -4.947 1.00 3.54 H new ATOM 0 HD23 LEU A 63 12.019 0.207 -5.261 1.00 3.54 H new ATOM 985 N GLN A 64 12.831 -2.627 -2.807 1.00 23.01 N ATOM 986 CA GLN A 64 13.754 -3.508 -3.509 1.00 2.12 C ATOM 987 C GLN A 64 13.768 -4.918 -2.893 1.00 61.14 C ATOM 988 O GLN A 64 14.095 -5.882 -3.584 1.00 13.33 O ATOM 989 CB GLN A 64 15.175 -2.910 -3.463 1.00 15.14 C ATOM 990 CG GLN A 64 15.317 -1.576 -4.172 1.00 33.43 C ATOM 991 CD GLN A 64 16.633 -0.864 -3.851 1.00 51.32 C ATOM 992 OE1 GLN A 64 17.683 -1.123 -4.436 1.00 42.23 O ATOM 993 NE2 GLN A 64 16.610 0.052 -2.898 1.00 72.41 N ATOM 0 H GLN A 64 13.288 -1.860 -2.315 1.00 23.01 H new ATOM 0 HA GLN A 64 13.418 -3.594 -4.542 1.00 2.12 H new ATOM 0 HB2 GLN A 64 15.471 -2.787 -2.421 1.00 15.14 H new ATOM 0 HB3 GLN A 64 15.870 -3.621 -3.910 1.00 15.14 H new ATOM 0 HG2 GLN A 64 15.249 -1.734 -5.248 1.00 33.43 H new ATOM 0 HG3 GLN A 64 14.484 -0.931 -3.891 1.00 33.43 H new ATOM 0 HE21 GLN A 64 15.737 0.264 -2.415 1.00 72.41 H new ATOM 0 HE22 GLN A 64 17.465 0.547 -2.646 1.00 72.41 H new ATOM 1002 N ILE A 65 13.441 -5.070 -1.606 1.00 14.14 N ATOM 1003 CA ILE A 65 13.239 -6.367 -0.953 1.00 61.01 C ATOM 1004 C ILE A 65 12.028 -7.043 -1.616 1.00 4.22 C ATOM 1005 O ILE A 65 12.165 -8.105 -2.236 1.00 10.52 O ATOM 1006 CB ILE A 65 13.127 -6.203 0.591 1.00 62.32 C ATOM 1007 CG1 ILE A 65 14.356 -5.480 1.187 1.00 51.40 C ATOM 1008 CG2 ILE A 65 12.918 -7.538 1.318 1.00 65.14 C ATOM 1009 CD1 ILE A 65 14.195 -5.098 2.662 1.00 31.03 C ATOM 0 H ILE A 65 13.307 -4.279 -0.976 1.00 14.14 H new ATOM 0 HA ILE A 65 14.099 -7.022 -1.090 1.00 61.01 H new ATOM 0 HB ILE A 65 12.241 -5.588 0.751 1.00 62.32 H new ATOM 0 HG12 ILE A 65 15.230 -6.123 1.081 1.00 51.40 H new ATOM 0 HG13 ILE A 65 14.551 -4.578 0.607 1.00 51.40 H new ATOM 0 HG21 ILE A 65 12.847 -7.361 2.391 1.00 65.14 H new ATOM 0 HG22 ILE A 65 11.998 -8.004 0.966 1.00 65.14 H new ATOM 0 HG23 ILE A 65 13.760 -8.199 1.114 1.00 65.14 H new ATOM 0 HD11 ILE A 65 15.098 -4.595 3.008 1.00 31.03 H new ATOM 0 HD12 ILE A 65 13.342 -4.429 2.774 1.00 31.03 H new ATOM 0 HD13 ILE A 65 14.031 -5.998 3.255 1.00 31.03 H new ATOM 1021 N LEU A 66 10.859 -6.397 -1.546 1.00 42.50 N ATOM 1022 CA LEU A 66 9.596 -6.881 -2.098 1.00 64.12 C ATOM 1023 C LEU A 66 9.628 -7.054 -3.628 1.00 31.41 C ATOM 1024 O LEU A 66 8.797 -7.793 -4.154 1.00 53.53 O ATOM 1025 CB LEU A 66 8.436 -5.940 -1.690 1.00 25.21 C ATOM 1026 CG LEU A 66 7.919 -6.007 -0.232 1.00 25.23 C ATOM 1027 CD1 LEU A 66 7.625 -7.421 0.241 1.00 24.31 C ATOM 1028 CD2 LEU A 66 8.820 -5.383 0.818 1.00 44.20 C ATOM 0 H LEU A 66 10.767 -5.491 -1.086 1.00 42.50 H new ATOM 0 HA LEU A 66 9.433 -7.873 -1.676 1.00 64.12 H new ATOM 0 HB2 LEU A 66 8.754 -4.916 -1.884 1.00 25.21 H new ATOM 0 HB3 LEU A 66 7.594 -6.143 -2.352 1.00 25.21 H new ATOM 0 HG LEU A 66 7.007 -5.415 -0.308 1.00 25.23 H new ATOM 0 HD11 LEU A 66 7.267 -7.393 1.270 1.00 24.31 H new ATOM 0 HD12 LEU A 66 6.862 -7.867 -0.397 1.00 24.31 H new ATOM 0 HD13 LEU A 66 8.535 -8.019 0.190 1.00 24.31 H new ATOM 0 HD21 LEU A 66 8.360 -5.487 1.801 1.00 44.20 H new ATOM 0 HD22 LEU A 66 9.786 -5.887 0.815 1.00 44.20 H new ATOM 0 HD23 LEU A 66 8.962 -4.326 0.594 1.00 44.20 H new ATOM 1040 N GLN A 67 10.554 -6.423 -4.360 1.00 52.51 N ATOM 1041 CA GLN A 67 10.688 -6.590 -5.818 1.00 71.10 C ATOM 1042 C GLN A 67 11.666 -7.709 -6.197 1.00 74.11 C ATOM 1043 O GLN A 67 11.988 -7.890 -7.375 1.00 74.13 O ATOM 1044 CB GLN A 67 11.140 -5.263 -6.464 1.00 62.03 C ATOM 1045 CG GLN A 67 10.009 -4.225 -6.553 1.00 2.52 C ATOM 1046 CD GLN A 67 10.329 -3.059 -7.500 1.00 53.22 C ATOM 1047 OE1 GLN A 67 11.313 -3.062 -8.233 1.00 1.34 O ATOM 1048 NE2 GLN A 67 9.506 -2.025 -7.541 1.00 62.40 N ATOM 0 H GLN A 67 11.236 -5.779 -3.959 1.00 52.51 H new ATOM 0 HA GLN A 67 9.706 -6.875 -6.197 1.00 71.10 H new ATOM 0 HB2 GLN A 67 11.965 -4.846 -5.886 1.00 62.03 H new ATOM 0 HB3 GLN A 67 11.522 -5.464 -7.465 1.00 62.03 H new ATOM 0 HG2 GLN A 67 9.098 -4.719 -6.890 1.00 2.52 H new ATOM 0 HG3 GLN A 67 9.808 -3.831 -5.557 1.00 2.52 H new ATOM 0 HE21 GLN A 67 8.683 -2.004 -6.939 1.00 62.40 H new ATOM 0 HE22 GLN A 67 9.694 -1.248 -8.174 1.00 62.40 H new ATOM 1057 N ALA A 68 12.056 -8.541 -5.236 1.00 14.51 N ATOM 1058 CA ALA A 68 13.064 -9.573 -5.433 1.00 41.12 C ATOM 1059 C ALA A 68 12.554 -10.944 -5.004 1.00 52.44 C ATOM 1060 O ALA A 68 12.742 -11.926 -5.728 1.00 45.22 O ATOM 1061 CB ALA A 68 14.344 -9.175 -4.704 1.00 32.31 C ATOM 0 H ALA A 68 11.676 -8.516 -4.290 1.00 14.51 H new ATOM 0 HA ALA A 68 13.288 -9.657 -6.497 1.00 41.12 H new ATOM 0 HB1 ALA A 68 15.101 -9.946 -4.850 1.00 32.31 H new ATOM 0 HB2 ALA A 68 14.710 -8.228 -5.101 1.00 32.31 H new ATOM 0 HB3 ALA A 68 14.137 -9.066 -3.639 1.00 32.31 H new ATOM 1067 N LEU A 69 11.918 -10.996 -3.835 1.00 44.52 N ATOM 1068 CA LEU A 69 11.215 -12.161 -3.310 1.00 12.33 C ATOM 1069 C LEU A 69 9.902 -12.412 -4.071 1.00 65.03 C ATOM 1070 O LEU A 69 9.650 -11.820 -5.120 1.00 44.43 O ATOM 1071 CB LEU A 69 11.028 -11.988 -1.788 1.00 14.21 C ATOM 1072 CG LEU A 69 10.185 -10.765 -1.359 1.00 23.34 C ATOM 1073 CD1 LEU A 69 8.743 -11.100 -0.997 1.00 45.20 C ATOM 1074 CD2 LEU A 69 10.796 -10.109 -0.125 1.00 54.53 C ATOM 0 H LEU A 69 11.878 -10.195 -3.204 1.00 44.52 H new ATOM 0 HA LEU A 69 11.808 -13.061 -3.468 1.00 12.33 H new ATOM 0 HB2 LEU A 69 10.559 -12.889 -1.392 1.00 14.21 H new ATOM 0 HB3 LEU A 69 12.012 -11.911 -1.325 1.00 14.21 H new ATOM 0 HG LEU A 69 10.185 -10.108 -2.229 1.00 23.34 H new ATOM 0 HD11 LEU A 69 8.220 -10.189 -0.707 1.00 45.20 H new ATOM 0 HD12 LEU A 69 8.246 -11.546 -1.858 1.00 45.20 H new ATOM 0 HD13 LEU A 69 8.731 -11.805 -0.166 1.00 45.20 H new ATOM 0 HD21 LEU A 69 10.193 -9.249 0.166 1.00 54.53 H new ATOM 0 HD22 LEU A 69 10.823 -10.828 0.694 1.00 54.53 H new ATOM 0 HD23 LEU A 69 11.810 -9.780 -0.352 1.00 54.53 H new ATOM 1086 N HIS A 70 9.093 -13.336 -3.556 1.00 4.54 N ATOM 1087 CA HIS A 70 7.790 -13.781 -4.048 1.00 10.51 C ATOM 1088 C HIS A 70 6.754 -12.660 -4.293 1.00 1.31 C ATOM 1089 O HIS A 70 6.926 -11.524 -3.839 1.00 42.13 O ATOM 1090 CB HIS A 70 7.281 -14.822 -3.032 1.00 13.54 C ATOM 1091 CG HIS A 70 8.065 -16.110 -3.075 1.00 63.41 C ATOM 1092 ND1 HIS A 70 8.391 -16.907 -2.002 1.00 4.43 N ATOM 1093 CD2 HIS A 70 8.601 -16.693 -4.192 1.00 14.31 C ATOM 1094 CE1 HIS A 70 9.098 -17.952 -2.464 1.00 53.43 C ATOM 1095 NE2 HIS A 70 9.262 -17.856 -3.792 1.00 51.34 N ATOM 0 H HIS A 70 9.356 -13.837 -2.708 1.00 4.54 H new ATOM 0 HA HIS A 70 7.920 -14.202 -5.045 1.00 10.51 H new ATOM 0 HB2 HIS A 70 7.337 -14.401 -2.028 1.00 13.54 H new ATOM 0 HB3 HIS A 70 6.231 -15.034 -3.231 1.00 13.54 H new ATOM 0 HD2 HIS A 70 8.526 -16.320 -5.203 1.00 14.31 H new ATOM 0 HE1 HIS A 70 9.480 -18.756 -1.852 1.00 53.43 H new ATOM 0 HE2 HIS A 70 9.770 -18.506 -4.392 1.00 51.34 H new ATOM 1103 N PRO A 71 5.656 -12.947 -5.018 1.00 23.05 N ATOM 1104 CA PRO A 71 4.603 -11.970 -5.270 1.00 10.34 C ATOM 1105 C PRO A 71 3.841 -11.592 -3.986 1.00 14.52 C ATOM 1106 O PRO A 71 3.902 -12.312 -2.981 1.00 21.24 O ATOM 1107 CB PRO A 71 3.669 -12.629 -6.292 1.00 41.02 C ATOM 1108 CG PRO A 71 3.883 -14.120 -6.064 1.00 21.24 C ATOM 1109 CD PRO A 71 5.368 -14.179 -5.738 1.00 42.31 C ATOM 0 HA PRO A 71 5.021 -11.035 -5.642 1.00 10.34 H new ATOM 0 HB2 PRO A 71 2.630 -12.343 -6.128 1.00 41.02 H new ATOM 0 HB3 PRO A 71 3.922 -12.339 -7.312 1.00 41.02 H new ATOM 0 HG2 PRO A 71 3.270 -14.500 -5.247 1.00 21.24 H new ATOM 0 HG3 PRO A 71 3.635 -14.708 -6.948 1.00 21.24 H new ATOM 0 HD2 PRO A 71 5.602 -15.053 -5.130 1.00 42.31 H new ATOM 0 HD3 PRO A 71 5.967 -14.252 -6.646 1.00 42.31 H new ATOM 1117 N PRO A 72 3.080 -10.484 -4.020 1.00 71.10 N ATOM 1118 CA PRO A 72 2.324 -10.014 -2.872 1.00 1.25 C ATOM 1119 C PRO A 72 1.172 -10.947 -2.496 1.00 1.23 C ATOM 1120 O PRO A 72 0.565 -11.609 -3.342 1.00 1.41 O ATOM 1121 CB PRO A 72 1.820 -8.622 -3.247 1.00 23.15 C ATOM 1122 CG PRO A 72 1.905 -8.552 -4.764 1.00 41.02 C ATOM 1123 CD PRO A 72 3.014 -9.530 -5.118 1.00 50.32 C ATOM 0 HA PRO A 72 2.956 -9.989 -1.985 1.00 1.25 H new ATOM 0 HB2 PRO A 72 0.797 -8.470 -2.904 1.00 23.15 H new ATOM 0 HB3 PRO A 72 2.430 -7.846 -2.784 1.00 23.15 H new ATOM 0 HG2 PRO A 72 0.961 -8.834 -5.230 1.00 41.02 H new ATOM 0 HG3 PRO A 72 2.139 -7.543 -5.104 1.00 41.02 H new ATOM 0 HD2 PRO A 72 2.801 -10.035 -6.060 1.00 50.32 H new ATOM 0 HD3 PRO A 72 3.965 -9.012 -5.241 1.00 50.32 H new ATOM 1131 N LEU A 73 0.808 -10.919 -1.217 1.00 11.25 N ATOM 1132 CA LEU A 73 -0.228 -11.702 -0.564 1.00 45.53 C ATOM 1133 C LEU A 73 -1.576 -11.012 -0.804 1.00 22.45 C ATOM 1134 O LEU A 73 -1.694 -9.795 -0.664 1.00 1.13 O ATOM 1135 CB LEU A 73 0.190 -11.782 0.916 1.00 13.42 C ATOM 1136 CG LEU A 73 -0.498 -12.819 1.807 1.00 3.54 C ATOM 1137 CD1 LEU A 73 -1.919 -12.410 2.156 1.00 50.11 C ATOM 1138 CD2 LEU A 73 -0.434 -14.224 1.196 1.00 23.41 C ATOM 0 H LEU A 73 1.272 -10.294 -0.558 1.00 11.25 H new ATOM 0 HA LEU A 73 -0.342 -12.716 -0.948 1.00 45.53 H new ATOM 0 HB2 LEU A 73 1.262 -11.974 0.949 1.00 13.42 H new ATOM 0 HB3 LEU A 73 0.028 -10.800 1.361 1.00 13.42 H new ATOM 0 HG LEU A 73 0.056 -12.857 2.745 1.00 3.54 H new ATOM 0 HD11 LEU A 73 -2.372 -13.173 2.789 1.00 50.11 H new ATOM 0 HD12 LEU A 73 -1.904 -11.459 2.688 1.00 50.11 H new ATOM 0 HD13 LEU A 73 -2.502 -12.305 1.241 1.00 50.11 H new ATOM 0 HD21 LEU A 73 -0.933 -14.932 1.858 1.00 23.41 H new ATOM 0 HD22 LEU A 73 -0.931 -14.222 0.226 1.00 23.41 H new ATOM 0 HD23 LEU A 73 0.608 -14.518 1.069 1.00 23.41 H new ATOM 1150 N THR A 74 -2.559 -11.744 -1.315 1.00 61.31 N ATOM 1151 CA THR A 74 -3.897 -11.229 -1.651 1.00 44.24 C ATOM 1152 C THR A 74 -4.799 -11.404 -0.424 1.00 42.40 C ATOM 1153 O THR A 74 -4.666 -12.376 0.316 1.00 74.31 O ATOM 1154 CB THR A 74 -4.486 -11.924 -2.900 1.00 1.25 C ATOM 1155 OG1 THR A 74 -5.887 -11.776 -2.986 1.00 3.33 O ATOM 1156 CG2 THR A 74 -4.189 -13.409 -2.946 1.00 23.33 C ATOM 0 H THR A 74 -2.453 -12.739 -1.515 1.00 61.31 H new ATOM 0 HA THR A 74 -3.827 -10.172 -1.906 1.00 44.24 H new ATOM 0 HB THR A 74 -4.000 -11.426 -3.739 1.00 1.25 H new ATOM 0 HG1 THR A 74 -6.286 -12.616 -3.296 1.00 3.33 H new ATOM 0 HG21 THR A 74 -4.628 -13.840 -3.846 1.00 23.33 H new ATOM 0 HG22 THR A 74 -3.110 -13.564 -2.959 1.00 23.33 H new ATOM 0 HG23 THR A 74 -4.615 -13.893 -2.067 1.00 23.33 H new ATOM 1164 N ILE A 75 -5.744 -10.480 -0.218 1.00 24.43 N ATOM 1165 CA ILE A 75 -6.599 -10.468 0.972 1.00 25.52 C ATOM 1166 C ILE A 75 -8.089 -10.364 0.596 1.00 22.33 C ATOM 1167 O ILE A 75 -8.920 -10.058 1.447 1.00 25.31 O ATOM 1168 CB ILE A 75 -6.155 -9.347 1.960 1.00 5.25 C ATOM 1169 CG1 ILE A 75 -4.668 -8.908 1.930 1.00 63.44 C ATOM 1170 CG2 ILE A 75 -6.451 -9.821 3.391 1.00 42.44 C ATOM 1171 CD1 ILE A 75 -4.242 -7.908 0.847 1.00 71.32 C ATOM 0 H ILE A 75 -5.937 -9.721 -0.871 1.00 24.43 H new ATOM 0 HA ILE A 75 -6.478 -11.420 1.489 1.00 25.52 H new ATOM 0 HB ILE A 75 -6.720 -8.474 1.634 1.00 5.25 H new ATOM 0 HG12 ILE A 75 -4.426 -8.475 2.901 1.00 63.44 H new ATOM 0 HG13 ILE A 75 -4.056 -9.803 1.819 1.00 63.44 H new ATOM 0 HG21 ILE A 75 -6.147 -9.050 4.100 1.00 42.44 H new ATOM 0 HG22 ILE A 75 -7.519 -10.012 3.498 1.00 42.44 H new ATOM 0 HG23 ILE A 75 -5.897 -10.738 3.593 1.00 42.44 H new ATOM 0 HD11 ILE A 75 -3.178 -7.694 0.948 1.00 71.32 H new ATOM 0 HD12 ILE A 75 -4.434 -8.334 -0.138 1.00 71.32 H new ATOM 0 HD13 ILE A 75 -4.811 -6.985 0.960 1.00 71.32 H new ATOM 1183 N ASP A 76 -8.434 -10.579 -0.676 1.00 12.04 N ATOM 1184 CA ASP A 76 -9.824 -10.589 -1.179 1.00 4.41 C ATOM 1185 C ASP A 76 -9.840 -11.131 -2.625 1.00 72.52 C ATOM 1186 O ASP A 76 -10.531 -10.606 -3.499 1.00 43.43 O ATOM 1187 CB ASP A 76 -10.461 -9.178 -1.073 1.00 71.54 C ATOM 1188 CG ASP A 76 -11.920 -9.148 -0.609 1.00 51.02 C ATOM 1189 OD1 ASP A 76 -12.158 -9.255 0.622 1.00 10.15 O ATOM 1190 OD2 ASP A 76 -12.806 -8.837 -1.434 1.00 30.55 O ATOM 0 H ASP A 76 -7.745 -10.756 -1.407 1.00 12.04 H new ATOM 0 HA ASP A 76 -10.432 -11.250 -0.561 1.00 4.41 H new ATOM 0 HB2 ASP A 76 -9.866 -8.580 -0.383 1.00 71.54 H new ATOM 0 HB3 ASP A 76 -10.398 -8.695 -2.048 1.00 71.54 H new ATOM 1195 N GLY A 77 -8.944 -12.079 -2.942 1.00 25.21 N ATOM 1196 CA GLY A 77 -8.797 -12.642 -4.287 1.00 74.10 C ATOM 1197 C GLY A 77 -8.352 -11.623 -5.342 1.00 50.01 C ATOM 1198 O GLY A 77 -8.584 -11.823 -6.537 1.00 51.34 O ATOM 0 H GLY A 77 -8.296 -12.478 -2.263 1.00 25.21 H new ATOM 0 HA2 GLY A 77 -8.072 -13.455 -4.253 1.00 74.10 H new ATOM 0 HA3 GLY A 77 -9.748 -13.076 -4.594 1.00 74.10 H new ATOM 1202 N LYS A 78 -7.687 -10.545 -4.909 1.00 23.11 N ATOM 1203 CA LYS A 78 -7.094 -9.487 -5.709 1.00 34.53 C ATOM 1204 C LYS A 78 -5.607 -9.441 -5.411 1.00 72.20 C ATOM 1205 O LYS A 78 -5.222 -9.152 -4.276 1.00 61.43 O ATOM 1206 CB LYS A 78 -7.776 -8.147 -5.413 1.00 13.02 C ATOM 1207 CG LYS A 78 -8.314 -7.923 -3.996 1.00 12.45 C ATOM 1208 CD LYS A 78 -7.297 -7.791 -2.861 1.00 21.24 C ATOM 1209 CE LYS A 78 -7.910 -6.985 -1.724 1.00 25.11 C ATOM 1210 NZ LYS A 78 -7.133 -6.997 -0.474 1.00 3.23 N ATOM 0 H LYS A 78 -7.543 -10.385 -3.912 1.00 23.11 H new ATOM 0 HA LYS A 78 -7.237 -9.686 -6.771 1.00 34.53 H new ATOM 0 HB2 LYS A 78 -7.063 -7.352 -5.631 1.00 13.02 H new ATOM 0 HB3 LYS A 78 -8.606 -8.031 -6.110 1.00 13.02 H new ATOM 0 HG2 LYS A 78 -8.923 -7.019 -4.008 1.00 12.45 H new ATOM 0 HG3 LYS A 78 -8.979 -8.752 -3.755 1.00 12.45 H new ATOM 0 HD2 LYS A 78 -7.003 -8.778 -2.504 1.00 21.24 H new ATOM 0 HD3 LYS A 78 -6.393 -7.301 -3.223 1.00 21.24 H new ATOM 0 HE2 LYS A 78 -8.029 -5.952 -2.052 1.00 25.11 H new ATOM 0 HE3 LYS A 78 -8.908 -7.372 -1.519 1.00 25.11 H new ATOM 0 HZ1 LYS A 78 -7.731 -6.666 0.310 1.00 3.23 H new ATOM 0 HZ2 LYS A 78 -6.808 -7.965 -0.277 1.00 3.23 H new ATOM 0 HZ3 LYS A 78 -6.310 -6.368 -0.571 1.00 3.23 H new ATOM 1224 N THR A 79 -4.760 -9.771 -6.379 1.00 44.12 N ATOM 1225 CA THR A 79 -3.334 -9.652 -6.137 1.00 70.23 C ATOM 1226 C THR A 79 -2.943 -8.170 -6.195 1.00 34.41 C ATOM 1227 O THR A 79 -3.204 -7.488 -7.188 1.00 22.15 O ATOM 1228 CB THR A 79 -2.518 -10.480 -7.127 1.00 5.42 C ATOM 1229 OG1 THR A 79 -3.202 -11.632 -7.606 1.00 3.21 O ATOM 1230 CG2 THR A 79 -1.212 -10.918 -6.467 1.00 72.52 C ATOM 0 H THR A 79 -5.025 -10.110 -7.304 1.00 44.12 H new ATOM 0 HA THR A 79 -3.110 -10.049 -5.147 1.00 70.23 H new ATOM 0 HB THR A 79 -2.333 -9.838 -7.988 1.00 5.42 H new ATOM 0 HG1 THR A 79 -2.627 -12.116 -8.235 1.00 3.21 H new ATOM 0 HG21 THR A 79 -0.628 -11.509 -7.172 1.00 72.52 H new ATOM 0 HG22 THR A 79 -0.641 -10.038 -6.171 1.00 72.52 H new ATOM 0 HG23 THR A 79 -1.434 -11.520 -5.586 1.00 72.52 H new ATOM 1238 N ILE A 80 -2.341 -7.663 -5.127 1.00 33.15 N ATOM 1239 CA ILE A 80 -1.905 -6.283 -5.005 1.00 3.35 C ATOM 1240 C ILE A 80 -0.800 -6.021 -6.046 1.00 31.42 C ATOM 1241 O ILE A 80 -0.237 -6.942 -6.645 1.00 24.54 O ATOM 1242 CB ILE A 80 -1.501 -6.008 -3.528 1.00 64.42 C ATOM 1243 CG1 ILE A 80 -2.558 -6.498 -2.503 1.00 13.15 C ATOM 1244 CG2 ILE A 80 -1.245 -4.519 -3.238 1.00 71.14 C ATOM 1245 CD1 ILE A 80 -3.991 -6.081 -2.847 1.00 24.51 C ATOM 0 H ILE A 80 -2.138 -8.220 -4.297 1.00 33.15 H new ATOM 0 HA ILE A 80 -2.701 -5.573 -5.228 1.00 3.35 H new ATOM 0 HB ILE A 80 -0.578 -6.575 -3.408 1.00 64.42 H new ATOM 0 HG12 ILE A 80 -2.511 -7.585 -2.438 1.00 13.15 H new ATOM 0 HG13 ILE A 80 -2.303 -6.109 -1.517 1.00 13.15 H new ATOM 0 HG21 ILE A 80 -0.967 -4.395 -2.191 1.00 71.14 H new ATOM 0 HG22 ILE A 80 -0.436 -4.158 -3.873 1.00 71.14 H new ATOM 0 HG23 ILE A 80 -2.150 -3.947 -3.444 1.00 71.14 H new ATOM 0 HD11 ILE A 80 -4.673 -6.460 -2.086 1.00 24.51 H new ATOM 0 HD12 ILE A 80 -4.055 -4.993 -2.883 1.00 24.51 H new ATOM 0 HD13 ILE A 80 -4.267 -6.493 -3.818 1.00 24.51 H new ATOM 1257 N ASN A 81 -0.504 -4.752 -6.300 1.00 42.33 N ATOM 1258 CA ASN A 81 0.550 -4.265 -7.186 1.00 32.32 C ATOM 1259 C ASN A 81 1.337 -3.237 -6.392 1.00 34.15 C ATOM 1260 O ASN A 81 0.790 -2.634 -5.467 1.00 42.02 O ATOM 1261 CB ASN A 81 -0.063 -3.593 -8.421 1.00 15.32 C ATOM 1262 CG ASN A 81 -0.107 -4.462 -9.656 1.00 3.44 C ATOM 1263 OD1 ASN A 81 0.393 -4.086 -10.706 1.00 12.33 O ATOM 1264 ND2 ASN A 81 -0.762 -5.604 -9.543 1.00 25.42 N ATOM 0 H ASN A 81 -1.024 -3.988 -5.868 1.00 42.33 H new ATOM 0 HA ASN A 81 1.183 -5.085 -7.526 1.00 32.32 H new ATOM 0 HB2 ASN A 81 -1.078 -3.277 -8.180 1.00 15.32 H new ATOM 0 HB3 ASN A 81 0.506 -2.692 -8.648 1.00 15.32 H new ATOM 0 HD21 ASN A 81 -0.867 -6.214 -10.354 1.00 25.42 H new ATOM 0 HD22 ASN A 81 -1.162 -5.876 -8.645 1.00 25.42 H new ATOM 1271 N VAL A 82 2.582 -3.000 -6.783 1.00 15.12 N ATOM 1272 CA VAL A 82 3.525 -2.159 -6.067 1.00 75.21 C ATOM 1273 C VAL A 82 3.904 -1.031 -7.015 1.00 62.51 C ATOM 1274 O VAL A 82 4.234 -1.295 -8.170 1.00 4.33 O ATOM 1275 CB VAL A 82 4.760 -2.998 -5.660 1.00 11.35 C ATOM 1276 CG1 VAL A 82 5.729 -2.185 -4.794 1.00 63.13 C ATOM 1277 CG2 VAL A 82 4.396 -4.260 -4.863 1.00 73.42 C ATOM 0 H VAL A 82 2.973 -3.402 -7.635 1.00 15.12 H new ATOM 0 HA VAL A 82 3.098 -1.751 -5.151 1.00 75.21 H new ATOM 0 HB VAL A 82 5.223 -3.287 -6.604 1.00 11.35 H new ATOM 0 HG11 VAL A 82 6.585 -2.804 -4.526 1.00 63.13 H new ATOM 0 HG12 VAL A 82 6.072 -1.314 -5.352 1.00 63.13 H new ATOM 0 HG13 VAL A 82 5.220 -1.858 -3.887 1.00 63.13 H new ATOM 0 HG21 VAL A 82 5.305 -4.804 -4.608 1.00 73.42 H new ATOM 0 HG22 VAL A 82 3.875 -3.975 -3.949 1.00 73.42 H new ATOM 0 HG23 VAL A 82 3.749 -4.897 -5.466 1.00 73.42 H new ATOM 1287 N GLU A 83 3.929 0.204 -6.535 1.00 11.01 N ATOM 1288 CA GLU A 83 4.461 1.344 -7.260 1.00 60.13 C ATOM 1289 C GLU A 83 5.348 2.155 -6.345 1.00 62.01 C ATOM 1290 O GLU A 83 5.229 2.095 -5.125 1.00 51.31 O ATOM 1291 CB GLU A 83 3.308 2.238 -7.714 1.00 21.22 C ATOM 1292 CG GLU A 83 2.715 1.854 -9.057 1.00 31.54 C ATOM 1293 CD GLU A 83 3.451 2.513 -10.215 1.00 4.12 C ATOM 1294 OE1 GLU A 83 4.438 1.944 -10.727 1.00 74.53 O ATOM 1295 OE2 GLU A 83 3.028 3.631 -10.604 1.00 55.12 O ATOM 0 H GLU A 83 3.572 0.444 -5.610 1.00 11.01 H new ATOM 0 HA GLU A 83 5.028 0.986 -8.119 1.00 60.13 H new ATOM 0 HB2 GLU A 83 2.521 2.208 -6.960 1.00 21.22 H new ATOM 0 HB3 GLU A 83 3.661 3.268 -7.766 1.00 21.22 H new ATOM 0 HG2 GLU A 83 2.752 0.771 -9.173 1.00 31.54 H new ATOM 0 HG3 GLU A 83 1.664 2.142 -9.085 1.00 31.54 H new ATOM 1302 N PHE A 84 6.183 2.972 -6.973 1.00 54.32 N ATOM 1303 CA PHE A 84 7.241 3.736 -6.312 1.00 13.13 C ATOM 1304 C PHE A 84 7.255 5.167 -6.850 1.00 4.52 C ATOM 1305 O PHE A 84 7.896 5.433 -7.868 1.00 22.31 O ATOM 1306 CB PHE A 84 8.577 3.006 -6.540 1.00 60.15 C ATOM 1307 CG PHE A 84 9.831 3.658 -5.979 1.00 23.42 C ATOM 1308 CD1 PHE A 84 9.804 4.350 -4.753 1.00 15.11 C ATOM 1309 CD2 PHE A 84 11.061 3.486 -6.645 1.00 64.24 C ATOM 1310 CE1 PHE A 84 10.991 4.864 -4.202 1.00 33.21 C ATOM 1311 CE2 PHE A 84 12.247 3.989 -6.084 1.00 21.00 C ATOM 1312 CZ PHE A 84 12.216 4.667 -4.855 1.00 61.45 C ATOM 0 H PHE A 84 6.145 3.128 -7.980 1.00 54.32 H new ATOM 0 HA PHE A 84 7.067 3.804 -5.238 1.00 13.13 H new ATOM 0 HB2 PHE A 84 8.494 2.008 -6.110 1.00 60.15 H new ATOM 0 HB3 PHE A 84 8.714 2.880 -7.614 1.00 60.15 H new ATOM 0 HD1 PHE A 84 8.867 4.487 -4.233 1.00 15.11 H new ATOM 0 HD2 PHE A 84 11.092 2.965 -7.591 1.00 64.24 H new ATOM 0 HE1 PHE A 84 10.959 5.413 -3.272 1.00 33.21 H new ATOM 0 HE2 PHE A 84 13.186 3.854 -6.600 1.00 21.00 H new ATOM 0 HZ PHE A 84 13.131 5.035 -4.415 1.00 61.45 H new ATOM 1322 N ALA A 85 6.528 6.097 -6.222 1.00 4.32 N ATOM 1323 CA ALA A 85 6.504 7.498 -6.644 1.00 12.31 C ATOM 1324 C ALA A 85 7.525 8.291 -5.824 1.00 14.12 C ATOM 1325 O ALA A 85 7.192 9.015 -4.880 1.00 12.24 O ATOM 1326 CB ALA A 85 5.093 8.077 -6.555 1.00 55.22 C ATOM 0 H ALA A 85 5.943 5.899 -5.410 1.00 4.32 H new ATOM 0 HA ALA A 85 6.790 7.570 -7.693 1.00 12.31 H new ATOM 0 HB1 ALA A 85 5.106 9.119 -6.875 1.00 55.22 H new ATOM 0 HB2 ALA A 85 4.425 7.508 -7.201 1.00 55.22 H new ATOM 0 HB3 ALA A 85 4.740 8.018 -5.526 1.00 55.22 H new ATOM 1332 N LYS A 86 8.798 8.130 -6.170 1.00 75.01 N ATOM 1333 CA LYS A 86 9.895 8.729 -5.433 1.00 4.22 C ATOM 1334 C LYS A 86 9.844 10.253 -5.600 1.00 71.02 C ATOM 1335 O LYS A 86 9.471 10.767 -6.656 1.00 22.24 O ATOM 1336 CB LYS A 86 11.194 8.091 -5.951 1.00 21.40 C ATOM 1337 CG LYS A 86 12.329 8.046 -4.924 1.00 20.14 C ATOM 1338 CD LYS A 86 12.897 9.426 -4.608 1.00 43.54 C ATOM 1339 CE LYS A 86 14.343 9.336 -4.153 1.00 73.24 C ATOM 1340 NZ LYS A 86 14.991 10.656 -4.157 1.00 15.52 N ATOM 0 H LYS A 86 9.095 7.577 -6.974 1.00 75.01 H new ATOM 0 HA LYS A 86 9.832 8.543 -4.361 1.00 4.22 H new ATOM 0 HB2 LYS A 86 10.979 7.075 -6.282 1.00 21.40 H new ATOM 0 HB3 LYS A 86 11.533 8.646 -6.826 1.00 21.40 H new ATOM 0 HG2 LYS A 86 11.962 7.590 -4.004 1.00 20.14 H new ATOM 0 HG3 LYS A 86 13.128 7.407 -5.300 1.00 20.14 H new ATOM 0 HD2 LYS A 86 12.830 10.060 -5.492 1.00 43.54 H new ATOM 0 HD3 LYS A 86 12.297 9.899 -3.830 1.00 43.54 H new ATOM 0 HE2 LYS A 86 14.384 8.912 -3.150 1.00 73.24 H new ATOM 0 HE3 LYS A 86 14.890 8.658 -4.808 1.00 73.24 H new ATOM 0 HZ1 LYS A 86 15.600 10.746 -3.319 1.00 15.52 H new ATOM 0 HZ2 LYS A 86 15.567 10.757 -5.017 1.00 15.52 H new ATOM 0 HZ3 LYS A 86 14.264 11.400 -4.138 1.00 15.52 H new ATOM 1354 N GLY A 87 10.201 10.996 -4.556 1.00 41.25 N ATOM 1355 CA GLY A 87 10.551 12.405 -4.653 1.00 72.03 C ATOM 1356 C GLY A 87 11.981 12.524 -5.154 1.00 61.45 C ATOM 1357 O GLY A 87 12.899 12.522 -4.333 1.00 63.44 O ATOM 0 H GLY A 87 10.255 10.628 -3.606 1.00 41.25 H new ATOM 0 HA2 GLY A 87 9.870 12.917 -5.333 1.00 72.03 H new ATOM 0 HA3 GLY A 87 10.451 12.886 -3.680 1.00 72.03 H new ATOM 1361 N SER A 88 12.181 12.510 -6.472 1.00 14.23 N ATOM 1362 CA SER A 88 13.441 12.887 -7.103 1.00 54.35 C ATOM 1363 C SER A 88 13.252 14.264 -7.725 1.00 62.22 C ATOM 1364 O SER A 88 12.090 14.606 -8.051 1.00 31.32 O ATOM 1365 CB SER A 88 13.868 11.873 -8.172 1.00 24.11 C ATOM 1366 OG SER A 88 13.443 10.547 -7.895 1.00 14.50 O ATOM 0 H SER A 88 11.461 12.232 -7.139 1.00 14.23 H new ATOM 0 HA SER A 88 14.232 12.904 -6.353 1.00 54.35 H new ATOM 0 HB2 SER A 88 13.464 12.182 -9.136 1.00 24.11 H new ATOM 0 HB3 SER A 88 14.954 11.887 -8.262 1.00 24.11 H new ATOM 0 HG SER A 88 13.744 9.951 -8.612 1.00 14.50 H new TER 1372 SER A 88