USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 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 16 THR OG1 : rot 180:sc= 0.316 USER MOD Set 1.2: A 19 SER OG : rot -91:sc= 0.289 USER MOD Set 2.1: A 17 MET CE :methyl 167:sc= -0.0821 (180deg=-0.475) USER MOD Set 2.2: A 32 SER OG : rot 162:sc= 1.24 USER MOD Set 3.1: A 15 SER OG : rot -52:sc= 0.824 USER MOD Set 3.2: A 46 ASN : amide:sc= 1.26 K(o=1.6,f=-4.7!) USER MOD Set 3.3: A 78 LYS NZ :NH3+ -150:sc= -0.439 (180deg=-1.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) 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= 1.03 K(o=1,f=-0.55) USER MOD Single : A 12 ASN : amide:sc= 0.571 K(o=0.57,f=-2.2!) USER MOD Single : A 14 HIS : no HE2:sc= 0.962 K(o=0.96,f=-3.2!) 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= 0.614 K(o=0.61,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.066) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 44 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.16) USER MOD Single : A 53 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.26) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 61 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.75) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 70 HIS : no HD1:sc=-0.000357 X(o=-0.00036,f=-0.17) USER MOD Single : A 74 THR OG1 : rot -150:sc= 0.0493 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.13) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.506 17.802 0.909 1.00 63.31 N ATOM 2 CA GLY A 1 7.371 16.621 0.784 1.00 42.54 C ATOM 3 C GLY A 1 7.194 15.946 -0.569 1.00 2.52 C ATOM 4 O GLY A 1 7.857 16.347 -1.526 1.00 4.13 O ATOM 0 H1 GLY A 1 6.649 18.240 1.841 1.00 63.31 H new ATOM 0 H2 GLY A 1 6.744 18.487 0.164 1.00 63.31 H new ATOM 0 H3 GLY A 1 5.511 17.516 0.810 1.00 63.31 H new ATOM 0 HA2 GLY A 1 8.413 16.915 0.912 1.00 42.54 H new ATOM 0 HA3 GLY A 1 7.140 15.912 1.579 1.00 42.54 H new ATOM 8 N HIS A 2 6.320 14.936 -0.668 1.00 34.25 N ATOM 9 CA HIS A 2 6.071 14.131 -1.871 1.00 43.13 C ATOM 10 C HIS A 2 7.357 13.550 -2.498 1.00 51.24 C ATOM 11 O HIS A 2 7.542 13.532 -3.718 1.00 73.14 O ATOM 12 CB HIS A 2 5.202 14.903 -2.875 1.00 74.20 C ATOM 13 CG HIS A 2 3.759 15.104 -2.467 1.00 61.41 C ATOM 14 ND1 HIS A 2 2.677 14.435 -2.993 1.00 33.05 N ATOM 15 CD2 HIS A 2 3.277 16.033 -1.589 1.00 3.43 C ATOM 16 CE1 HIS A 2 1.568 14.935 -2.422 1.00 54.20 C ATOM 17 NE2 HIS A 2 1.879 15.918 -1.553 1.00 32.41 N ATOM 0 H HIS A 2 5.743 14.645 0.121 1.00 34.25 H new ATOM 0 HA HIS A 2 5.504 13.254 -1.558 1.00 43.13 H new ATOM 0 HB2 HIS A 2 5.653 15.881 -3.043 1.00 74.20 H new ATOM 0 HB3 HIS A 2 5.222 14.374 -3.828 1.00 74.20 H new ATOM 0 HD2 HIS A 2 3.870 16.735 -1.021 1.00 3.43 H new ATOM 0 HE1 HIS A 2 0.564 14.596 -2.631 1.00 54.20 H new ATOM 0 HE2 HIS A 2 1.231 16.465 -0.986 1.00 32.41 H new ATOM 25 N MET A 3 8.236 13.021 -1.655 1.00 13.55 N ATOM 26 CA MET A 3 9.321 12.117 -2.009 1.00 21.44 C ATOM 27 C MET A 3 8.946 10.722 -1.488 1.00 32.11 C ATOM 28 O MET A 3 8.025 10.614 -0.684 1.00 11.41 O ATOM 29 CB MET A 3 10.629 12.668 -1.434 1.00 2.52 C ATOM 30 CG MET A 3 10.639 12.791 0.098 1.00 61.14 C ATOM 31 SD MET A 3 9.917 14.309 0.764 1.00 14.45 S ATOM 32 CE MET A 3 10.003 13.904 2.529 1.00 61.43 C ATOM 0 H MET A 3 8.209 13.222 -0.655 1.00 13.55 H new ATOM 0 HA MET A 3 9.473 12.036 -3.085 1.00 21.44 H new ATOM 0 HB2 MET A 3 11.450 12.020 -1.741 1.00 2.52 H new ATOM 0 HB3 MET A 3 10.819 13.650 -1.868 1.00 2.52 H new ATOM 0 HG2 MET A 3 10.101 11.940 0.517 1.00 61.14 H new ATOM 0 HG3 MET A 3 11.670 12.718 0.444 1.00 61.14 H new ATOM 0 HE1 MET A 3 9.598 14.731 3.112 1.00 61.43 H new ATOM 0 HE2 MET A 3 9.422 13.003 2.724 1.00 61.43 H new ATOM 0 HE3 MET A 3 11.042 13.734 2.813 1.00 61.43 H new ATOM 42 N ASP A 4 9.601 9.673 -1.989 1.00 55.13 N ATOM 43 CA ASP A 4 9.733 8.336 -1.426 1.00 40.41 C ATOM 44 C ASP A 4 8.430 7.831 -0.869 1.00 31.13 C ATOM 45 O ASP A 4 8.103 7.948 0.314 1.00 61.04 O ATOM 46 CB ASP A 4 10.939 8.157 -0.505 1.00 11.54 C ATOM 47 CG ASP A 4 11.651 9.448 -0.106 1.00 24.44 C ATOM 48 OD1 ASP A 4 12.454 9.968 -0.918 1.00 14.11 O ATOM 49 OD2 ASP A 4 11.348 9.971 0.995 1.00 51.40 O ATOM 0 H ASP A 4 10.095 9.749 -2.878 1.00 55.13 H new ATOM 0 HA ASP A 4 9.971 7.675 -2.260 1.00 40.41 H new ATOM 0 HB2 ASP A 4 10.611 7.647 0.401 1.00 11.54 H new ATOM 0 HB3 ASP A 4 11.658 7.502 -0.997 1.00 11.54 H new ATOM 54 N THR A 5 7.660 7.287 -1.798 1.00 34.01 N ATOM 55 CA THR A 5 6.301 6.867 -1.544 1.00 22.03 C ATOM 56 C THR A 5 6.084 5.533 -2.254 1.00 13.23 C ATOM 57 O THR A 5 6.310 5.441 -3.462 1.00 55.32 O ATOM 58 CB THR A 5 5.303 7.973 -1.947 1.00 23.34 C ATOM 59 OG1 THR A 5 5.583 9.188 -1.268 1.00 21.04 O ATOM 60 CG2 THR A 5 3.839 7.610 -1.671 1.00 63.41 C ATOM 0 H THR A 5 7.968 7.125 -2.757 1.00 34.01 H new ATOM 0 HA THR A 5 6.122 6.710 -0.480 1.00 22.03 H new ATOM 0 HB THR A 5 5.433 8.087 -3.023 1.00 23.34 H new ATOM 0 HG1 THR A 5 4.937 9.872 -1.542 1.00 21.04 H new ATOM 0 HG21 THR A 5 3.195 8.434 -1.979 1.00 63.41 H new ATOM 0 HG22 THR A 5 3.574 6.714 -2.232 1.00 63.41 H new ATOM 0 HG23 THR A 5 3.705 7.424 -0.605 1.00 63.41 H new ATOM 68 N ILE A 6 5.680 4.509 -1.497 1.00 53.10 N ATOM 69 CA ILE A 6 5.344 3.197 -2.035 1.00 54.31 C ATOM 70 C ILE A 6 3.826 3.218 -2.212 1.00 22.03 C ATOM 71 O ILE A 6 3.089 3.301 -1.230 1.00 54.12 O ATOM 72 CB ILE A 6 5.830 2.041 -1.126 1.00 10.23 C ATOM 73 CG1 ILE A 6 7.328 2.167 -0.763 1.00 70.00 C ATOM 74 CG2 ILE A 6 5.515 0.688 -1.793 1.00 2.52 C ATOM 75 CD1 ILE A 6 7.796 1.086 0.217 1.00 32.14 C ATOM 0 H ILE A 6 5.578 4.573 -0.484 1.00 53.10 H new ATOM 0 HA ILE A 6 5.850 3.008 -2.982 1.00 54.31 H new ATOM 0 HB ILE A 6 5.288 2.101 -0.182 1.00 10.23 H new ATOM 0 HG12 ILE A 6 7.924 2.107 -1.674 1.00 70.00 H new ATOM 0 HG13 ILE A 6 7.510 3.149 -0.327 1.00 70.00 H new ATOM 0 HG21 ILE A 6 5.858 -0.123 -1.151 1.00 2.52 H new ATOM 0 HG22 ILE A 6 4.439 0.599 -1.946 1.00 2.52 H new ATOM 0 HG23 ILE A 6 6.024 0.629 -2.755 1.00 2.52 H new ATOM 0 HD11 ILE A 6 8.855 1.226 0.434 1.00 32.14 H new ATOM 0 HD12 ILE A 6 7.223 1.160 1.141 1.00 32.14 H new ATOM 0 HD13 ILE A 6 7.643 0.102 -0.227 1.00 32.14 H new ATOM 87 N ILE A 7 3.354 3.229 -3.452 1.00 20.42 N ATOM 88 CA ILE A 7 1.941 3.121 -3.785 1.00 55.52 C ATOM 89 C ILE A 7 1.568 1.637 -3.851 1.00 34.01 C ATOM 90 O ILE A 7 2.426 0.781 -4.049 1.00 30.41 O ATOM 91 CB ILE A 7 1.610 4.000 -5.024 1.00 75.10 C ATOM 92 CG1 ILE A 7 1.998 5.473 -4.768 1.00 41.10 C ATOM 93 CG2 ILE A 7 0.155 3.933 -5.517 1.00 32.31 C ATOM 94 CD1 ILE A 7 3.388 5.871 -5.254 1.00 4.24 C ATOM 0 H ILE A 7 3.956 3.315 -4.271 1.00 20.42 H new ATOM 0 HA ILE A 7 1.292 3.537 -3.014 1.00 55.52 H new ATOM 0 HB ILE A 7 2.211 3.570 -5.825 1.00 75.10 H new ATOM 0 HG12 ILE A 7 1.263 6.115 -5.253 1.00 41.10 H new ATOM 0 HG13 ILE A 7 1.935 5.668 -3.697 1.00 41.10 H new ATOM 0 HG21 ILE A 7 0.034 4.583 -6.384 1.00 32.31 H new ATOM 0 HG22 ILE A 7 -0.088 2.908 -5.796 1.00 32.31 H new ATOM 0 HG23 ILE A 7 -0.514 4.261 -4.722 1.00 32.31 H new ATOM 0 HD11 ILE A 7 3.565 6.923 -5.028 1.00 4.24 H new ATOM 0 HD12 ILE A 7 4.138 5.260 -4.751 1.00 4.24 H new ATOM 0 HD13 ILE A 7 3.456 5.715 -6.331 1.00 4.24 H new ATOM 106 N LEU A 8 0.287 1.326 -3.659 1.00 24.14 N ATOM 107 CA LEU A 8 -0.294 -0.005 -3.794 1.00 5.43 C ATOM 108 C LEU A 8 -1.414 0.093 -4.822 1.00 2.41 C ATOM 109 O LEU A 8 -2.012 1.160 -4.954 1.00 64.44 O ATOM 110 CB LEU A 8 -0.915 -0.517 -2.484 1.00 61.40 C ATOM 111 CG LEU A 8 0.013 -0.771 -1.288 1.00 25.53 C ATOM 112 CD1 LEU A 8 0.492 0.516 -0.610 1.00 44.04 C ATOM 113 CD2 LEU A 8 -0.777 -1.586 -0.254 1.00 32.54 C ATOM 0 H LEU A 8 -0.404 2.028 -3.393 1.00 24.14 H new ATOM 0 HA LEU A 8 0.499 -0.694 -4.083 1.00 5.43 H new ATOM 0 HB2 LEU A 8 -1.671 0.203 -2.171 1.00 61.40 H new ATOM 0 HB3 LEU A 8 -1.435 -1.449 -2.705 1.00 61.40 H new ATOM 0 HG LEU A 8 0.897 -1.292 -1.657 1.00 25.53 H new ATOM 0 HD11 LEU A 8 1.144 0.265 0.227 1.00 44.04 H new ATOM 0 HD12 LEU A 8 1.042 1.123 -1.329 1.00 44.04 H new ATOM 0 HD13 LEU A 8 -0.368 1.077 -0.245 1.00 44.04 H new ATOM 0 HD21 LEU A 8 -0.146 -1.785 0.612 1.00 32.54 H new ATOM 0 HD22 LEU A 8 -1.656 -1.022 0.060 1.00 32.54 H new ATOM 0 HD23 LEU A 8 -1.092 -2.530 -0.698 1.00 32.54 H new ATOM 125 N ARG A 9 -1.788 -1.001 -5.487 1.00 54.32 N ATOM 126 CA ARG A 9 -2.913 -1.041 -6.438 1.00 52.31 C ATOM 127 C ARG A 9 -3.677 -2.348 -6.283 1.00 1.43 C ATOM 128 O ARG A 9 -3.196 -3.264 -5.617 1.00 62.30 O ATOM 129 CB ARG A 9 -2.413 -0.922 -7.892 1.00 24.21 C ATOM 130 CG ARG A 9 -1.637 0.359 -8.181 1.00 64.54 C ATOM 131 CD ARG A 9 -0.883 0.269 -9.514 1.00 25.01 C ATOM 132 NE ARG A 9 -1.403 1.211 -10.514 1.00 21.12 N ATOM 133 CZ ARG A 9 -2.381 0.983 -11.394 1.00 33.13 C ATOM 134 NH1 ARG A 9 -2.843 -0.246 -11.590 1.00 12.05 N ATOM 135 NH2 ARG A 9 -2.900 2.003 -12.063 1.00 44.34 N ATOM 0 H ARG A 9 -1.315 -1.899 -5.383 1.00 54.32 H new ATOM 0 HA ARG A 9 -3.568 -0.197 -6.219 1.00 52.31 H new ATOM 0 HB2 ARG A 9 -1.777 -1.778 -8.117 1.00 24.21 H new ATOM 0 HB3 ARG A 9 -3.269 -0.975 -8.565 1.00 24.21 H new ATOM 0 HG2 ARG A 9 -2.324 1.204 -8.207 1.00 64.54 H new ATOM 0 HG3 ARG A 9 -0.930 0.548 -7.373 1.00 64.54 H new ATOM 0 HD2 ARG A 9 0.175 0.470 -9.345 1.00 25.01 H new ATOM 0 HD3 ARG A 9 -0.956 -0.747 -9.902 1.00 25.01 H new ATOM 0 HE ARG A 9 -0.972 2.135 -10.539 1.00 21.12 H new ATOM 0 HH11 ARG A 9 -2.451 -1.028 -11.066 1.00 12.05 H new ATOM 0 HH12 ARG A 9 -3.590 -0.408 -12.265 1.00 12.05 H new ATOM 0 HH21 ARG A 9 -2.552 2.948 -11.903 1.00 44.34 H new ATOM 0 HH22 ARG A 9 -3.648 1.843 -12.738 1.00 44.34 H new ATOM 149 N ASN A 10 -4.823 -2.450 -6.956 1.00 61.30 N ATOM 150 CA ASN A 10 -5.691 -3.624 -6.979 1.00 72.42 C ATOM 151 C ASN A 10 -6.220 -3.968 -5.581 1.00 53.00 C ATOM 152 O ASN A 10 -6.332 -5.126 -5.188 1.00 44.14 O ATOM 153 CB ASN A 10 -5.000 -4.801 -7.695 1.00 53.03 C ATOM 154 CG ASN A 10 -5.986 -5.918 -8.013 1.00 34.51 C ATOM 155 OD1 ASN A 10 -7.062 -5.669 -8.541 1.00 63.34 O ATOM 156 ND2 ASN A 10 -5.639 -7.161 -7.730 1.00 32.14 N ATOM 0 H ASN A 10 -5.186 -1.684 -7.523 1.00 61.30 H new ATOM 0 HA ASN A 10 -6.578 -3.390 -7.567 1.00 72.42 H new ATOM 0 HB2 ASN A 10 -4.540 -4.447 -8.617 1.00 53.03 H new ATOM 0 HB3 ASN A 10 -4.198 -5.190 -7.067 1.00 53.03 H new ATOM 0 HD21 ASN A 10 -6.271 -7.930 -7.952 1.00 32.14 H new ATOM 0 HD22 ASN A 10 -4.739 -7.352 -7.290 1.00 32.14 H new ATOM 163 N LEU A 11 -6.529 -2.953 -4.775 1.00 65.43 N ATOM 164 CA LEU A 11 -7.250 -3.130 -3.527 1.00 24.44 C ATOM 165 C LEU A 11 -8.709 -3.363 -3.939 1.00 54.33 C ATOM 166 O LEU A 11 -9.224 -2.600 -4.759 1.00 34.24 O ATOM 167 CB LEU A 11 -7.102 -1.865 -2.660 1.00 11.34 C ATOM 168 CG LEU A 11 -5.701 -1.373 -2.215 1.00 50.00 C ATOM 169 CD1 LEU A 11 -5.245 -2.033 -0.918 1.00 71.13 C ATOM 170 CD2 LEU A 11 -4.543 -1.499 -3.197 1.00 73.54 C ATOM 0 H LEU A 11 -6.283 -1.984 -4.975 1.00 65.43 H new ATOM 0 HA LEU A 11 -6.873 -3.962 -2.932 1.00 24.44 H new ATOM 0 HB2 LEU A 11 -7.572 -1.046 -3.204 1.00 11.34 H new ATOM 0 HB3 LEU A 11 -7.689 -2.025 -1.755 1.00 11.34 H new ATOM 0 HG LEU A 11 -5.900 -0.306 -2.111 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -4.259 -1.657 -0.646 1.00 71.13 H new ATOM 0 HD12 LEU A 11 -5.954 -1.801 -0.123 1.00 71.13 H new ATOM 0 HD13 LEU A 11 -5.196 -3.113 -1.057 1.00 71.13 H new ATOM 0 HD21 LEU A 11 -3.633 -1.112 -2.738 1.00 73.54 H new ATOM 0 HD22 LEU A 11 -4.400 -2.547 -3.459 1.00 73.54 H new ATOM 0 HD23 LEU A 11 -4.766 -0.927 -4.098 1.00 73.54 H new ATOM 182 N ASN A 12 -9.379 -4.396 -3.407 1.00 21.43 N ATOM 183 CA ASN A 12 -10.820 -4.573 -3.643 1.00 33.25 C ATOM 184 C ASN A 12 -11.542 -3.478 -2.885 1.00 53.23 C ATOM 185 O ASN A 12 -11.117 -3.205 -1.757 1.00 70.14 O ATOM 186 CB ASN A 12 -11.369 -5.913 -3.097 1.00 30.32 C ATOM 187 CG ASN A 12 -11.877 -6.869 -4.171 1.00 32.51 C ATOM 188 OD1 ASN A 12 -11.847 -6.596 -5.367 1.00 50.14 O ATOM 189 ND2 ASN A 12 -12.352 -8.019 -3.754 1.00 63.12 N ATOM 0 H ASN A 12 -8.954 -5.112 -2.819 1.00 21.43 H new ATOM 0 HA ASN A 12 -10.978 -4.549 -4.721 1.00 33.25 H new ATOM 0 HB2 ASN A 12 -10.583 -6.409 -2.528 1.00 30.32 H new ATOM 0 HB3 ASN A 12 -12.181 -5.703 -2.401 1.00 30.32 H new ATOM 0 HD21 ASN A 12 -12.703 -8.700 -4.427 1.00 63.12 H new ATOM 0 HD22 ASN A 12 -12.370 -8.232 -2.757 1.00 63.12 H new ATOM 196 N PRO A 13 -12.676 -2.964 -3.385 1.00 2.35 N ATOM 197 CA PRO A 13 -13.425 -1.891 -2.741 1.00 52.00 C ATOM 198 C PRO A 13 -13.964 -2.274 -1.358 1.00 65.14 C ATOM 199 O PRO A 13 -14.250 -1.371 -0.575 1.00 10.25 O ATOM 200 CB PRO A 13 -14.545 -1.541 -3.727 1.00 1.43 C ATOM 201 CG PRO A 13 -14.727 -2.795 -4.570 1.00 64.42 C ATOM 202 CD PRO A 13 -13.325 -3.382 -4.620 1.00 11.03 C ATOM 0 HA PRO A 13 -12.782 -1.035 -2.535 1.00 52.00 H new ATOM 0 HB2 PRO A 13 -15.465 -1.279 -3.204 1.00 1.43 H new ATOM 0 HB3 PRO A 13 -14.275 -0.685 -4.345 1.00 1.43 H new ATOM 0 HG2 PRO A 13 -15.438 -3.486 -4.117 1.00 64.42 H new ATOM 0 HG3 PRO A 13 -15.102 -2.560 -5.566 1.00 64.42 H new ATOM 0 HD2 PRO A 13 -13.359 -4.469 -4.696 1.00 11.03 H new ATOM 0 HD3 PRO A 13 -12.780 -3.018 -5.491 1.00 11.03 H new ATOM 210 N HIS A 14 -14.052 -3.574 -1.043 1.00 54.01 N ATOM 211 CA HIS A 14 -14.414 -4.082 0.276 1.00 52.01 C ATOM 212 C HIS A 14 -13.432 -3.638 1.369 1.00 2.25 C ATOM 213 O HIS A 14 -13.849 -3.410 2.504 1.00 24.54 O ATOM 214 CB HIS A 14 -14.441 -5.622 0.256 1.00 63.52 C ATOM 215 CG HIS A 14 -15.282 -6.265 -0.815 1.00 73.32 C ATOM 216 ND1 HIS A 14 -15.040 -7.485 -1.405 1.00 52.04 N ATOM 217 CD2 HIS A 14 -16.461 -5.794 -1.320 1.00 70.13 C ATOM 218 CE1 HIS A 14 -16.050 -7.745 -2.250 1.00 41.42 C ATOM 219 NE2 HIS A 14 -16.946 -6.741 -2.229 1.00 14.04 N ATOM 0 H HIS A 14 -13.868 -4.315 -1.719 1.00 54.01 H new ATOM 0 HA HIS A 14 -15.397 -3.673 0.508 1.00 52.01 H new ATOM 0 HB2 HIS A 14 -13.417 -5.980 0.147 1.00 63.52 H new ATOM 0 HB3 HIS A 14 -14.798 -5.970 1.225 1.00 63.52 H new ATOM 0 HD1 HIS A 14 -14.234 -8.086 -1.231 1.00 52.04 H new ATOM 0 HD2 HIS A 14 -16.934 -4.858 -1.063 1.00 70.13 H new ATOM 0 HE1 HIS A 14 -16.132 -8.633 -2.859 1.00 41.42 H new ATOM 227 N SER A 15 -12.128 -3.611 1.070 1.00 54.43 N ATOM 228 CA SER A 15 -11.109 -3.413 2.090 1.00 33.33 C ATOM 229 C SER A 15 -11.116 -1.989 2.628 1.00 1.05 C ATOM 230 O SER A 15 -11.496 -1.053 1.924 1.00 10.34 O ATOM 231 CB SER A 15 -9.728 -3.812 1.557 1.00 14.23 C ATOM 232 OG SER A 15 -9.360 -3.287 0.292 1.00 72.22 O ATOM 0 H SER A 15 -11.760 -3.725 0.126 1.00 54.43 H new ATOM 0 HA SER A 15 -11.346 -4.065 2.931 1.00 33.33 H new ATOM 0 HB2 SER A 15 -8.979 -3.502 2.286 1.00 14.23 H new ATOM 0 HB3 SER A 15 -9.686 -4.900 1.500 1.00 14.23 H new ATOM 0 HG SER A 15 -10.070 -3.471 -0.358 1.00 72.22 H new ATOM 238 N THR A 16 -10.561 -1.808 3.827 1.00 65.52 N ATOM 239 CA THR A 16 -10.241 -0.494 4.336 1.00 61.13 C ATOM 240 C THR A 16 -8.726 -0.338 4.289 1.00 25.33 C ATOM 241 O THR A 16 -8.182 0.141 3.297 1.00 54.32 O ATOM 242 CB THR A 16 -10.823 -0.295 5.756 1.00 50.31 C ATOM 243 OG1 THR A 16 -10.529 -1.351 6.656 1.00 25.14 O ATOM 244 CG2 THR A 16 -12.331 -0.173 5.734 1.00 5.24 C ATOM 0 H THR A 16 -10.326 -2.571 4.462 1.00 65.52 H new ATOM 0 HA THR A 16 -10.696 0.284 3.723 1.00 61.13 H new ATOM 0 HB THR A 16 -10.345 0.622 6.100 1.00 50.31 H new ATOM 0 HG1 THR A 16 -10.926 -1.156 7.530 1.00 25.14 H new ATOM 0 HG21 THR A 16 -12.700 -0.035 6.750 1.00 5.24 H new ATOM 0 HG22 THR A 16 -12.618 0.684 5.124 1.00 5.24 H new ATOM 0 HG23 THR A 16 -12.763 -1.080 5.312 1.00 5.24 H new ATOM 252 N MET A 17 -8.043 -0.794 5.335 1.00 2.45 N ATOM 253 CA MET A 17 -6.663 -0.474 5.640 1.00 62.32 C ATOM 254 C MET A 17 -6.174 -1.546 6.601 1.00 53.33 C ATOM 255 O MET A 17 -5.375 -2.390 6.215 1.00 41.21 O ATOM 256 CB MET A 17 -6.613 0.936 6.243 1.00 24.51 C ATOM 257 CG MET A 17 -5.198 1.421 6.574 1.00 1.33 C ATOM 258 SD MET A 17 -5.153 3.183 7.016 1.00 33.42 S ATOM 259 CE MET A 17 -6.404 3.258 8.322 1.00 14.41 C ATOM 0 H MET A 17 -8.460 -1.424 6.020 1.00 2.45 H new ATOM 0 HA MET A 17 -6.018 -0.467 4.761 1.00 62.32 H new ATOM 0 HB2 MET A 17 -7.072 1.636 5.544 1.00 24.51 H new ATOM 0 HB3 MET A 17 -7.214 0.953 7.152 1.00 24.51 H new ATOM 0 HG2 MET A 17 -4.799 0.832 7.400 1.00 1.33 H new ATOM 0 HG3 MET A 17 -4.548 1.248 5.716 1.00 1.33 H new ATOM 0 HE1 MET A 17 -6.327 4.211 8.845 1.00 14.41 H new ATOM 0 HE2 MET A 17 -7.396 3.165 7.881 1.00 14.41 H new ATOM 0 HE3 MET A 17 -6.243 2.443 9.028 1.00 14.41 H new ATOM 269 N ASP A 18 -6.689 -1.568 7.832 1.00 12.12 N ATOM 270 CA ASP A 18 -6.196 -2.476 8.869 1.00 41.12 C ATOM 271 C ASP A 18 -6.476 -3.937 8.499 1.00 32.51 C ATOM 272 O ASP A 18 -5.686 -4.826 8.835 1.00 51.33 O ATOM 273 CB ASP A 18 -6.817 -2.111 10.225 1.00 5.12 C ATOM 274 CG ASP A 18 -5.768 -1.501 11.159 1.00 51.20 C ATOM 275 OD1 ASP A 18 -5.791 -0.272 11.389 1.00 72.12 O ATOM 276 OD2 ASP A 18 -4.901 -2.254 11.659 1.00 12.11 O ATOM 0 H ASP A 18 -7.452 -0.963 8.136 1.00 12.12 H new ATOM 0 HA ASP A 18 -5.115 -2.365 8.947 1.00 41.12 H new ATOM 0 HB2 ASP A 18 -7.633 -1.404 10.077 1.00 5.12 H new ATOM 0 HB3 ASP A 18 -7.246 -3.001 10.685 1.00 5.12 H new ATOM 281 N SER A 19 -7.550 -4.175 7.746 1.00 63.34 N ATOM 282 CA SER A 19 -7.915 -5.451 7.144 1.00 41.12 C ATOM 283 C SER A 19 -6.915 -5.936 6.089 1.00 4.24 C ATOM 284 O SER A 19 -6.871 -7.129 5.798 1.00 53.11 O ATOM 285 CB SER A 19 -9.323 -5.327 6.553 1.00 2.35 C ATOM 286 OG SER A 19 -9.525 -4.114 5.839 1.00 65.53 O ATOM 0 H SER A 19 -8.224 -3.440 7.530 1.00 63.34 H new ATOM 0 HA SER A 19 -7.896 -6.209 7.927 1.00 41.12 H new ATOM 0 HB2 SER A 19 -9.505 -6.169 5.885 1.00 2.35 H new ATOM 0 HB3 SER A 19 -10.055 -5.394 7.358 1.00 2.35 H new ATOM 0 HG SER A 19 -9.882 -3.433 6.446 1.00 65.53 H new ATOM 292 N ILE A 20 -6.156 -5.030 5.470 1.00 30.21 N ATOM 293 CA ILE A 20 -5.051 -5.346 4.575 1.00 23.31 C ATOM 294 C ILE A 20 -3.788 -5.550 5.396 1.00 23.23 C ATOM 295 O ILE A 20 -3.107 -6.541 5.168 1.00 65.10 O ATOM 296 CB ILE A 20 -4.872 -4.247 3.508 1.00 73.41 C ATOM 297 CG1 ILE A 20 -6.169 -4.020 2.705 1.00 14.22 C ATOM 298 CG2 ILE A 20 -3.709 -4.510 2.538 1.00 73.53 C ATOM 299 CD1 ILE A 20 -6.301 -2.544 2.343 1.00 73.32 C ATOM 0 H ILE A 20 -6.301 -4.027 5.584 1.00 30.21 H new ATOM 0 HA ILE A 20 -5.270 -6.269 4.038 1.00 23.31 H new ATOM 0 HB ILE A 20 -4.627 -3.346 4.070 1.00 73.41 H new ATOM 0 HG12 ILE A 20 -6.158 -4.626 1.799 1.00 14.22 H new ATOM 0 HG13 ILE A 20 -7.031 -4.339 3.291 1.00 14.22 H new ATOM 0 HG21 ILE A 20 -3.645 -3.695 1.817 1.00 73.53 H new ATOM 0 HG22 ILE A 20 -2.776 -4.573 3.098 1.00 73.53 H new ATOM 0 HG23 ILE A 20 -3.880 -5.448 2.011 1.00 73.53 H new ATOM 0 HD11 ILE A 20 -7.219 -2.389 1.776 1.00 73.32 H new ATOM 0 HD12 ILE A 20 -6.333 -1.947 3.255 1.00 73.32 H new ATOM 0 HD13 ILE A 20 -5.446 -2.239 1.740 1.00 73.32 H new ATOM 311 N LEU A 21 -3.474 -4.654 6.342 1.00 4.24 N ATOM 312 CA LEU A 21 -2.230 -4.738 7.110 1.00 33.32 C ATOM 313 C LEU A 21 -2.098 -6.106 7.781 1.00 5.25 C ATOM 314 O LEU A 21 -1.004 -6.647 7.808 1.00 4.14 O ATOM 315 CB LEU A 21 -2.108 -3.606 8.157 1.00 62.31 C ATOM 316 CG LEU A 21 -1.521 -2.255 7.688 1.00 13.11 C ATOM 317 CD1 LEU A 21 -0.109 -2.392 7.103 1.00 70.24 C ATOM 318 CD2 LEU A 21 -2.420 -1.505 6.703 1.00 24.42 C ATOM 0 H LEU A 21 -4.067 -3.863 6.592 1.00 4.24 H new ATOM 0 HA LEU A 21 -1.411 -4.612 6.402 1.00 33.32 H new ATOM 0 HB2 LEU A 21 -3.101 -3.417 8.564 1.00 62.31 H new ATOM 0 HB3 LEU A 21 -1.492 -3.973 8.978 1.00 62.31 H new ATOM 0 HG LEU A 21 -1.462 -1.658 8.598 1.00 13.11 H new ATOM 0 HD11 LEU A 21 0.252 -1.412 6.791 1.00 70.24 H new ATOM 0 HD12 LEU A 21 0.560 -2.801 7.860 1.00 70.24 H new ATOM 0 HD13 LEU A 21 -0.135 -3.060 6.242 1.00 70.24 H new ATOM 0 HD21 LEU A 21 -1.944 -0.567 6.418 1.00 24.42 H new ATOM 0 HD22 LEU A 21 -2.577 -2.117 5.815 1.00 24.42 H new ATOM 0 HD23 LEU A 21 -3.381 -1.296 7.174 1.00 24.42 H new ATOM 330 N GLY A 22 -3.190 -6.708 8.255 1.00 71.50 N ATOM 331 CA GLY A 22 -3.128 -8.014 8.904 1.00 2.25 C ATOM 332 C GLY A 22 -2.759 -9.182 7.981 1.00 14.25 C ATOM 333 O GLY A 22 -2.472 -10.259 8.501 1.00 42.20 O ATOM 0 H GLY A 22 -4.128 -6.310 8.200 1.00 71.50 H new ATOM 0 HA2 GLY A 22 -2.399 -7.966 9.713 1.00 2.25 H new ATOM 0 HA3 GLY A 22 -4.096 -8.223 9.359 1.00 2.25 H new ATOM 337 N ALA A 23 -2.800 -9.021 6.655 1.00 42.03 N ATOM 338 CA ALA A 23 -2.488 -10.079 5.690 1.00 14.45 C ATOM 339 C ALA A 23 -1.676 -9.585 4.486 1.00 5.05 C ATOM 340 O ALA A 23 -1.594 -10.271 3.471 1.00 62.51 O ATOM 341 CB ALA A 23 -3.789 -10.712 5.218 1.00 63.23 C ATOM 0 H ALA A 23 -3.055 -8.137 6.215 1.00 42.03 H new ATOM 0 HA ALA A 23 -1.861 -10.811 6.199 1.00 14.45 H new ATOM 0 HB1 ALA A 23 -3.570 -11.501 4.499 1.00 63.23 H new ATOM 0 HB2 ALA A 23 -4.318 -11.136 6.072 1.00 63.23 H new ATOM 0 HB3 ALA A 23 -4.412 -9.953 4.745 1.00 63.23 H new ATOM 347 N LEU A 24 -1.088 -8.395 4.563 1.00 41.31 N ATOM 348 CA LEU A 24 -0.157 -7.877 3.570 1.00 2.42 C ATOM 349 C LEU A 24 1.111 -7.314 4.239 1.00 62.40 C ATOM 350 O LEU A 24 1.786 -6.459 3.664 1.00 34.23 O ATOM 351 CB LEU A 24 -0.850 -6.809 2.700 1.00 21.34 C ATOM 352 CG LEU A 24 -0.163 -6.594 1.332 1.00 73.54 C ATOM 353 CD1 LEU A 24 -0.539 -7.706 0.346 1.00 4.14 C ATOM 354 CD2 LEU A 24 -0.543 -5.226 0.764 1.00 2.45 C ATOM 0 H LEU A 24 -1.251 -7.750 5.336 1.00 41.31 H new ATOM 0 HA LEU A 24 0.153 -8.699 2.924 1.00 2.42 H new ATOM 0 HB2 LEU A 24 -1.887 -7.101 2.536 1.00 21.34 H new ATOM 0 HB3 LEU A 24 -0.867 -5.864 3.243 1.00 21.34 H new ATOM 0 HG LEU A 24 0.916 -6.629 1.481 1.00 73.54 H new ATOM 0 HD11 LEU A 24 -0.042 -7.530 -0.608 1.00 4.14 H new ATOM 0 HD12 LEU A 24 -0.224 -8.669 0.747 1.00 4.14 H new ATOM 0 HD13 LEU A 24 -1.619 -7.710 0.197 1.00 4.14 H new ATOM 0 HD21 LEU A 24 -0.054 -5.084 -0.200 1.00 2.45 H new ATOM 0 HD22 LEU A 24 -1.624 -5.174 0.634 1.00 2.45 H new ATOM 0 HD23 LEU A 24 -0.222 -4.444 1.452 1.00 2.45 H new ATOM 366 N ALA A 25 1.430 -7.716 5.470 1.00 22.31 N ATOM 367 CA ALA A 25 2.536 -7.156 6.244 1.00 42.03 C ATOM 368 C ALA A 25 3.496 -8.244 6.762 1.00 71.12 C ATOM 369 O ALA A 25 3.693 -8.348 7.976 1.00 50.13 O ATOM 370 CB ALA A 25 1.952 -6.287 7.351 1.00 45.10 C ATOM 0 H ALA A 25 0.920 -8.449 5.963 1.00 22.31 H new ATOM 0 HA ALA A 25 3.158 -6.532 5.603 1.00 42.03 H new ATOM 0 HB1 ALA A 25 2.761 -5.858 7.942 1.00 45.10 H new ATOM 0 HB2 ALA A 25 1.360 -5.485 6.910 1.00 45.10 H new ATOM 0 HB3 ALA A 25 1.316 -6.895 7.994 1.00 45.10 H new ATOM 376 N PRO A 26 4.114 -9.057 5.880 1.00 23.33 N ATOM 377 CA PRO A 26 5.062 -10.081 6.298 1.00 22.12 C ATOM 378 C PRO A 26 6.424 -9.509 6.734 1.00 30.40 C ATOM 379 O PRO A 26 7.003 -10.028 7.688 1.00 23.13 O ATOM 380 CB PRO A 26 5.192 -11.023 5.098 1.00 43.51 C ATOM 381 CG PRO A 26 4.880 -10.138 3.893 1.00 73.31 C ATOM 382 CD PRO A 26 3.869 -9.145 4.447 1.00 43.55 C ATOM 0 HA PRO A 26 4.703 -10.599 7.187 1.00 22.12 H new ATOM 0 HB2 PRO A 26 6.194 -11.448 5.032 1.00 43.51 H new ATOM 0 HB3 PRO A 26 4.496 -11.858 5.170 1.00 43.51 H new ATOM 0 HG2 PRO A 26 5.773 -9.638 3.518 1.00 73.31 H new ATOM 0 HG3 PRO A 26 4.467 -10.715 3.065 1.00 73.31 H new ATOM 0 HD2 PRO A 26 3.984 -8.170 3.974 1.00 43.55 H new ATOM 0 HD3 PRO A 26 2.850 -9.478 4.248 1.00 43.55 H new ATOM 390 N TYR A 27 6.933 -8.463 6.064 1.00 31.40 N ATOM 391 CA TYR A 27 8.298 -7.951 6.272 1.00 62.32 C ATOM 392 C TYR A 27 8.323 -6.467 6.638 1.00 2.10 C ATOM 393 O TYR A 27 9.262 -6.019 7.286 1.00 10.33 O ATOM 394 CB TYR A 27 9.169 -8.159 5.025 1.00 5.24 C ATOM 395 CG TYR A 27 9.068 -9.523 4.374 1.00 32.22 C ATOM 396 CD1 TYR A 27 8.309 -9.664 3.201 1.00 4.14 C ATOM 397 CD2 TYR A 27 9.706 -10.645 4.933 1.00 65.03 C ATOM 398 CE1 TYR A 27 8.166 -10.915 2.587 1.00 45.53 C ATOM 399 CE2 TYR A 27 9.620 -11.894 4.292 1.00 71.45 C ATOM 400 CZ TYR A 27 8.865 -12.030 3.104 1.00 63.44 C ATOM 401 OH TYR A 27 8.809 -13.234 2.471 1.00 74.03 O ATOM 0 H TYR A 27 6.407 -7.946 5.359 1.00 31.40 H new ATOM 0 HA TYR A 27 8.700 -8.522 7.109 1.00 62.32 H new ATOM 0 HB2 TYR A 27 8.901 -7.403 4.287 1.00 5.24 H new ATOM 0 HB3 TYR A 27 10.210 -7.983 5.298 1.00 5.24 H new ATOM 0 HD1 TYR A 27 7.830 -8.798 2.767 1.00 4.14 H new ATOM 0 HD2 TYR A 27 10.262 -10.548 5.854 1.00 65.03 H new ATOM 0 HE1 TYR A 27 7.526 -11.027 1.724 1.00 45.53 H new ATOM 0 HE2 TYR A 27 10.131 -12.750 4.707 1.00 71.45 H new ATOM 0 HH TYR A 27 9.349 -13.888 2.963 1.00 74.03 H new ATOM 411 N ALA A 28 7.303 -5.697 6.249 1.00 3.40 N ATOM 412 CA ALA A 28 7.128 -4.315 6.671 1.00 22.01 C ATOM 413 C ALA A 28 5.721 -4.156 7.205 1.00 4.25 C ATOM 414 O ALA A 28 4.753 -4.190 6.444 1.00 70.41 O ATOM 415 CB ALA A 28 7.407 -3.344 5.525 1.00 3.32 C ATOM 0 H ALA A 28 6.568 -6.026 5.623 1.00 3.40 H new ATOM 0 HA ALA A 28 7.845 -4.076 7.457 1.00 22.01 H new ATOM 0 HB1 ALA A 28 7.267 -2.321 5.873 1.00 3.32 H new ATOM 0 HB2 ALA A 28 8.433 -3.473 5.180 1.00 3.32 H new ATOM 0 HB3 ALA A 28 6.720 -3.544 4.703 1.00 3.32 H new ATOM 421 N VAL A 29 5.621 -3.990 8.516 1.00 51.13 N ATOM 422 CA VAL A 29 4.395 -3.654 9.219 1.00 53.42 C ATOM 423 C VAL A 29 4.399 -2.143 9.442 1.00 32.32 C ATOM 424 O VAL A 29 5.215 -1.632 10.209 1.00 3.34 O ATOM 425 CB VAL A 29 4.309 -4.466 10.526 1.00 74.24 C ATOM 426 CG1 VAL A 29 2.979 -4.200 11.239 1.00 61.21 C ATOM 427 CG2 VAL A 29 4.386 -5.980 10.260 1.00 10.43 C ATOM 0 H VAL A 29 6.421 -4.090 9.140 1.00 51.13 H new ATOM 0 HA VAL A 29 3.505 -3.914 8.645 1.00 53.42 H new ATOM 0 HB VAL A 29 5.153 -4.153 11.141 1.00 74.24 H new ATOM 0 HG11 VAL A 29 2.937 -4.782 12.160 1.00 61.21 H new ATOM 0 HG12 VAL A 29 2.899 -3.139 11.477 1.00 61.21 H new ATOM 0 HG13 VAL A 29 2.153 -4.489 10.589 1.00 61.21 H new ATOM 0 HG21 VAL A 29 4.322 -6.519 11.205 1.00 10.43 H new ATOM 0 HG22 VAL A 29 3.559 -6.279 9.615 1.00 10.43 H new ATOM 0 HG23 VAL A 29 5.331 -6.216 9.771 1.00 10.43 H new ATOM 437 N LEU A 30 3.544 -1.413 8.727 1.00 53.14 N ATOM 438 CA LEU A 30 3.338 0.012 8.954 1.00 72.54 C ATOM 439 C LEU A 30 2.388 0.224 10.132 1.00 50.34 C ATOM 440 O LEU A 30 1.567 -0.644 10.428 1.00 42.42 O ATOM 441 CB LEU A 30 2.696 0.652 7.715 1.00 34.33 C ATOM 442 CG LEU A 30 3.539 0.759 6.436 1.00 10.23 C ATOM 443 CD1 LEU A 30 4.951 1.288 6.708 1.00 23.25 C ATOM 444 CD2 LEU A 30 3.593 -0.549 5.645 1.00 10.34 C ATOM 0 H LEU A 30 2.974 -1.797 7.973 1.00 53.14 H new ATOM 0 HA LEU A 30 4.307 0.467 9.161 1.00 72.54 H new ATOM 0 HB2 LEU A 30 1.797 0.085 7.475 1.00 34.33 H new ATOM 0 HB3 LEU A 30 2.375 1.657 7.988 1.00 34.33 H new ATOM 0 HG LEU A 30 3.024 1.491 5.813 1.00 10.23 H new ATOM 0 HD11 LEU A 30 5.505 1.344 5.771 1.00 23.25 H new ATOM 0 HD12 LEU A 30 4.888 2.281 7.153 1.00 23.25 H new ATOM 0 HD13 LEU A 30 5.466 0.615 7.394 1.00 23.25 H new ATOM 0 HD21 LEU A 30 4.203 -0.410 4.753 1.00 10.34 H new ATOM 0 HD22 LEU A 30 4.030 -1.331 6.265 1.00 10.34 H new ATOM 0 HD23 LEU A 30 2.584 -0.839 5.353 1.00 10.34 H new ATOM 456 N SER A 31 2.396 1.431 10.702 1.00 2.41 N ATOM 457 CA SER A 31 1.522 1.875 11.789 1.00 74.33 C ATOM 458 C SER A 31 0.079 2.143 11.319 1.00 4.05 C ATOM 459 O SER A 31 -0.537 3.108 11.766 1.00 5.43 O ATOM 460 CB SER A 31 2.148 3.120 12.438 1.00 44.13 C ATOM 461 OG SER A 31 1.754 3.244 13.789 1.00 23.14 O ATOM 0 H SER A 31 3.044 2.160 10.403 1.00 2.41 H new ATOM 0 HA SER A 31 1.442 1.075 12.525 1.00 74.33 H new ATOM 0 HB2 SER A 31 3.235 3.058 12.377 1.00 44.13 H new ATOM 0 HB3 SER A 31 1.849 4.011 11.886 1.00 44.13 H new ATOM 0 HG SER A 31 2.167 4.043 14.178 1.00 23.14 H new ATOM 467 N SER A 32 -0.455 1.354 10.380 1.00 21.52 N ATOM 468 CA SER A 32 -1.738 1.548 9.710 1.00 52.31 C ATOM 469 C SER A 32 -1.793 2.886 8.949 1.00 5.35 C ATOM 470 O SER A 32 -1.680 2.876 7.728 1.00 70.14 O ATOM 471 CB SER A 32 -2.874 1.316 10.723 1.00 11.41 C ATOM 472 OG SER A 32 -4.150 1.326 10.114 1.00 32.42 O ATOM 0 H SER A 32 0.027 0.517 10.052 1.00 21.52 H new ATOM 0 HA SER A 32 -1.871 0.807 8.922 1.00 52.31 H new ATOM 0 HB2 SER A 32 -2.721 0.360 11.224 1.00 11.41 H new ATOM 0 HB3 SER A 32 -2.835 2.088 11.491 1.00 11.41 H new ATOM 0 HG SER A 32 -4.800 0.896 10.708 1.00 32.42 H new ATOM 478 N SER A 33 -1.913 4.033 9.626 1.00 54.22 N ATOM 479 CA SER A 33 -2.141 5.358 9.056 1.00 52.42 C ATOM 480 C SER A 33 -1.099 5.775 8.013 1.00 63.21 C ATOM 481 O SER A 33 -1.438 6.549 7.109 1.00 41.00 O ATOM 482 CB SER A 33 -2.203 6.368 10.209 1.00 73.14 C ATOM 483 OG SER A 33 -2.433 7.700 9.767 1.00 3.45 O ATOM 0 H SER A 33 -1.849 4.059 10.644 1.00 54.22 H new ATOM 0 HA SER A 33 -3.084 5.331 8.510 1.00 52.42 H new ATOM 0 HB2 SER A 33 -2.996 6.077 10.898 1.00 73.14 H new ATOM 0 HB3 SER A 33 -1.267 6.332 10.767 1.00 73.14 H new ATOM 0 HG SER A 33 -2.465 8.301 10.541 1.00 3.45 H new ATOM 489 N ASN A 34 0.140 5.277 8.111 1.00 5.33 N ATOM 490 CA ASN A 34 1.188 5.469 7.110 1.00 45.20 C ATOM 491 C ASN A 34 0.722 5.029 5.727 1.00 71.22 C ATOM 492 O ASN A 34 1.186 5.577 4.735 1.00 60.40 O ATOM 493 CB ASN A 34 2.439 4.681 7.511 1.00 25.23 C ATOM 494 CG ASN A 34 3.179 5.368 8.645 1.00 63.43 C ATOM 495 OD1 ASN A 34 2.616 5.559 9.717 1.00 65.22 O ATOM 496 ND2 ASN A 34 4.408 5.781 8.417 1.00 11.42 N ATOM 0 H ASN A 34 0.445 4.717 8.907 1.00 5.33 H new ATOM 0 HA ASN A 34 1.422 6.533 7.065 1.00 45.20 H new ATOM 0 HB2 ASN A 34 2.156 3.674 7.816 1.00 25.23 H new ATOM 0 HB3 ASN A 34 3.100 4.580 6.650 1.00 25.23 H new ATOM 0 HD21 ASN A 34 4.922 6.277 9.145 1.00 11.42 H new ATOM 0 HD22 ASN A 34 4.846 5.605 7.513 1.00 11.42 H new ATOM 503 N VAL A 35 -0.185 4.054 5.654 1.00 13.11 N ATOM 504 CA VAL A 35 -0.906 3.666 4.459 1.00 23.43 C ATOM 505 C VAL A 35 -2.080 4.634 4.270 1.00 61.40 C ATOM 506 O VAL A 35 -3.181 4.436 4.787 1.00 3.42 O ATOM 507 CB VAL A 35 -1.348 2.190 4.547 1.00 25.44 C ATOM 508 CG1 VAL A 35 -1.897 1.739 3.190 1.00 72.24 C ATOM 509 CG2 VAL A 35 -0.183 1.269 4.941 1.00 10.32 C ATOM 0 H VAL A 35 -0.442 3.494 6.466 1.00 13.11 H new ATOM 0 HA VAL A 35 -0.264 3.732 3.581 1.00 23.43 H new ATOM 0 HB VAL A 35 -2.117 2.120 5.316 1.00 25.44 H new ATOM 0 HG11 VAL A 35 -2.209 0.697 3.252 1.00 72.24 H new ATOM 0 HG12 VAL A 35 -2.752 2.358 2.919 1.00 72.24 H new ATOM 0 HG13 VAL A 35 -1.121 1.841 2.431 1.00 72.24 H new ATOM 0 HG21 VAL A 35 -0.535 0.239 4.992 1.00 10.32 H new ATOM 0 HG22 VAL A 35 0.609 1.345 4.196 1.00 10.32 H new ATOM 0 HG23 VAL A 35 0.205 1.569 5.915 1.00 10.32 H new ATOM 519 N ARG A 36 -1.875 5.689 3.486 1.00 72.11 N ATOM 520 CA ARG A 36 -2.959 6.522 2.983 1.00 4.44 C ATOM 521 C ARG A 36 -3.912 5.651 2.168 1.00 4.33 C ATOM 522 O ARG A 36 -3.546 5.204 1.084 1.00 44.24 O ATOM 523 CB ARG A 36 -2.397 7.705 2.173 1.00 62.51 C ATOM 524 CG ARG A 36 -3.302 8.945 2.174 1.00 62.12 C ATOM 525 CD ARG A 36 -4.736 8.612 1.764 1.00 51.41 C ATOM 526 NE ARG A 36 -5.412 9.771 1.172 1.00 35.45 N ATOM 527 CZ ARG A 36 -6.603 10.263 1.531 1.00 71.20 C ATOM 528 NH1 ARG A 36 -7.374 9.625 2.410 1.00 13.11 N ATOM 529 NH2 ARG A 36 -7.042 11.384 0.979 1.00 42.34 N ATOM 0 H ARG A 36 -0.949 5.990 3.182 1.00 72.11 H new ATOM 0 HA ARG A 36 -3.521 6.955 3.811 1.00 4.44 H new ATOM 0 HB2 ARG A 36 -1.422 7.978 2.577 1.00 62.51 H new ATOM 0 HB3 ARG A 36 -2.237 7.385 1.143 1.00 62.51 H new ATOM 0 HG2 ARG A 36 -3.304 9.390 3.169 1.00 62.12 H new ATOM 0 HG3 ARG A 36 -2.895 9.691 1.492 1.00 62.12 H new ATOM 0 HD2 ARG A 36 -4.729 7.790 1.048 1.00 51.41 H new ATOM 0 HD3 ARG A 36 -5.294 8.271 2.636 1.00 51.41 H new ATOM 0 HE ARG A 36 -4.927 10.249 0.412 1.00 35.45 H new ATOM 0 HH11 ARG A 36 -7.059 8.746 2.821 1.00 13.11 H new ATOM 0 HH12 ARG A 36 -8.279 10.015 2.672 1.00 13.11 H new ATOM 0 HH21 ARG A 36 -6.473 11.867 0.284 1.00 42.34 H new ATOM 0 HH22 ARG A 36 -7.949 11.764 1.249 1.00 42.34 H new ATOM 543 N VAL A 37 -5.142 5.484 2.640 1.00 75.51 N ATOM 544 CA VAL A 37 -6.273 4.973 1.872 1.00 60.20 C ATOM 545 C VAL A 37 -7.278 6.110 1.704 1.00 31.55 C ATOM 546 O VAL A 37 -7.681 6.735 2.689 1.00 20.43 O ATOM 547 CB VAL A 37 -6.891 3.741 2.568 1.00 54.44 C ATOM 548 CG1 VAL A 37 -8.024 3.141 1.719 1.00 63.51 C ATOM 549 CG2 VAL A 37 -5.839 2.651 2.821 1.00 23.34 C ATOM 0 H VAL A 37 -5.389 5.709 3.604 1.00 75.51 H new ATOM 0 HA VAL A 37 -5.951 4.636 0.887 1.00 60.20 H new ATOM 0 HB VAL A 37 -7.288 4.085 3.523 1.00 54.44 H new ATOM 0 HG11 VAL A 37 -8.443 2.275 2.231 1.00 63.51 H new ATOM 0 HG12 VAL A 37 -8.804 3.888 1.573 1.00 63.51 H new ATOM 0 HG13 VAL A 37 -7.629 2.834 0.750 1.00 63.51 H new ATOM 0 HG21 VAL A 37 -6.309 1.799 3.312 1.00 23.34 H new ATOM 0 HG22 VAL A 37 -5.410 2.331 1.871 1.00 23.34 H new ATOM 0 HG23 VAL A 37 -5.050 3.048 3.460 1.00 23.34 H new ATOM 559 N ILE A 38 -7.684 6.400 0.469 1.00 64.13 N ATOM 560 CA ILE A 38 -8.838 7.238 0.177 1.00 13.23 C ATOM 561 C ILE A 38 -10.053 6.301 0.166 1.00 62.52 C ATOM 562 O ILE A 38 -10.043 5.279 -0.531 1.00 13.21 O ATOM 563 CB ILE A 38 -8.697 7.967 -1.184 1.00 53.33 C ATOM 564 CG1 ILE A 38 -7.291 8.529 -1.510 1.00 72.53 C ATOM 565 CG2 ILE A 38 -9.708 9.127 -1.188 1.00 73.12 C ATOM 566 CD1 ILE A 38 -7.136 8.959 -2.971 1.00 20.43 C ATOM 0 H ILE A 38 -7.212 6.053 -0.366 1.00 64.13 H new ATOM 0 HA ILE A 38 -8.939 8.023 0.927 1.00 13.23 H new ATOM 0 HB ILE A 38 -8.882 7.218 -1.954 1.00 53.33 H new ATOM 0 HG12 ILE A 38 -7.090 9.383 -0.864 1.00 72.53 H new ATOM 0 HG13 ILE A 38 -6.542 7.771 -1.280 1.00 72.53 H new ATOM 0 HG21 ILE A 38 -9.639 9.666 -2.133 1.00 73.12 H new ATOM 0 HG22 ILE A 38 -10.717 8.731 -1.069 1.00 73.12 H new ATOM 0 HG23 ILE A 38 -9.485 9.806 -0.365 1.00 73.12 H new ATOM 0 HD11 ILE A 38 -6.129 9.343 -3.132 1.00 20.43 H new ATOM 0 HD12 ILE A 38 -7.306 8.102 -3.623 1.00 20.43 H new ATOM 0 HD13 ILE A 38 -7.862 9.739 -3.200 1.00 20.43 H new ATOM 578 N LYS A 39 -11.099 6.633 0.927 1.00 24.55 N ATOM 579 CA LYS A 39 -12.401 5.984 0.786 1.00 31.33 C ATOM 580 C LYS A 39 -13.260 6.908 -0.059 1.00 43.30 C ATOM 581 O LYS A 39 -13.125 8.123 0.074 1.00 20.21 O ATOM 582 CB LYS A 39 -13.068 5.647 2.137 1.00 31.23 C ATOM 583 CG LYS A 39 -12.126 4.960 3.144 1.00 24.44 C ATOM 584 CD LYS A 39 -11.448 5.954 4.100 1.00 53.34 C ATOM 585 CE LYS A 39 -10.426 5.236 4.988 1.00 64.43 C ATOM 586 NZ LYS A 39 -10.168 5.971 6.244 1.00 55.00 N ATOM 0 H LYS A 39 -11.067 7.352 1.650 1.00 24.55 H new ATOM 0 HA LYS A 39 -12.277 5.014 0.304 1.00 31.33 H new ATOM 0 HB2 LYS A 39 -13.451 6.566 2.581 1.00 31.23 H new ATOM 0 HB3 LYS A 39 -13.926 4.999 1.956 1.00 31.23 H new ATOM 0 HG2 LYS A 39 -12.692 4.232 3.726 1.00 24.44 H new ATOM 0 HG3 LYS A 39 -11.361 4.407 2.599 1.00 24.44 H new ATOM 0 HD2 LYS A 39 -10.953 6.738 3.527 1.00 53.34 H new ATOM 0 HD3 LYS A 39 -12.200 6.440 4.721 1.00 53.34 H new ATOM 0 HE2 LYS A 39 -10.789 4.235 5.222 1.00 64.43 H new ATOM 0 HE3 LYS A 39 -9.491 5.116 4.440 1.00 64.43 H new ATOM 0 HZ1 LYS A 39 -9.471 5.450 6.814 1.00 55.00 H new ATOM 0 HZ2 LYS A 39 -9.797 6.917 6.023 1.00 55.00 H new ATOM 0 HZ3 LYS A 39 -11.054 6.064 6.780 1.00 55.00 H new ATOM 600 N ASP A 40 -14.163 6.356 -0.869 1.00 11.13 N ATOM 601 CA ASP A 40 -15.118 7.139 -1.661 1.00 24.31 C ATOM 602 C ASP A 40 -16.069 7.910 -0.747 1.00 11.45 C ATOM 603 O ASP A 40 -16.638 8.933 -1.128 1.00 40.30 O ATOM 604 CB ASP A 40 -15.962 6.202 -2.533 1.00 74.53 C ATOM 605 CG ASP A 40 -16.234 6.810 -3.902 1.00 34.44 C ATOM 606 OD1 ASP A 40 -17.410 7.055 -4.253 1.00 64.41 O ATOM 607 OD2 ASP A 40 -15.262 7.036 -4.654 1.00 40.31 O ATOM 0 H ASP A 40 -14.255 5.348 -0.997 1.00 11.13 H new ATOM 0 HA ASP A 40 -14.551 7.835 -2.280 1.00 24.31 H new ATOM 0 HB2 ASP A 40 -15.445 5.250 -2.653 1.00 74.53 H new ATOM 0 HB3 ASP A 40 -16.907 5.991 -2.033 1.00 74.53 H new ATOM 612 N LYS A 41 -16.238 7.388 0.475 1.00 63.54 N ATOM 613 CA LYS A 41 -17.076 7.860 1.566 1.00 44.33 C ATOM 614 C LYS A 41 -18.537 7.573 1.304 1.00 35.14 C ATOM 615 O LYS A 41 -19.118 6.832 2.095 1.00 13.12 O ATOM 616 CB LYS A 41 -16.787 9.324 1.960 1.00 20.31 C ATOM 617 CG LYS A 41 -15.281 9.592 2.117 1.00 3.02 C ATOM 618 CD LYS A 41 -14.958 10.830 2.957 1.00 60.32 C ATOM 619 CE LYS A 41 -15.091 10.521 4.451 1.00 63.21 C ATOM 620 NZ LYS A 41 -14.714 11.680 5.282 1.00 24.44 N ATOM 0 H LYS A 41 -15.738 6.540 0.742 1.00 63.54 H new ATOM 0 HA LYS A 41 -16.807 7.284 2.452 1.00 44.33 H new ATOM 0 HB2 LYS A 41 -17.197 9.991 1.202 1.00 20.31 H new ATOM 0 HB3 LYS A 41 -17.296 9.555 2.896 1.00 20.31 H new ATOM 0 HG2 LYS A 41 -14.812 8.721 2.575 1.00 3.02 H new ATOM 0 HG3 LYS A 41 -14.837 9.709 1.128 1.00 3.02 H new ATOM 0 HD2 LYS A 41 -13.945 11.169 2.740 1.00 60.32 H new ATOM 0 HD3 LYS A 41 -15.631 11.644 2.688 1.00 60.32 H new ATOM 0 HE2 LYS A 41 -16.118 10.232 4.673 1.00 63.21 H new ATOM 0 HE3 LYS A 41 -14.459 9.670 4.705 1.00 63.21 H new ATOM 0 HZ1 LYS A 41 -14.816 11.434 6.287 1.00 24.44 H new ATOM 0 HZ2 LYS A 41 -13.726 11.940 5.088 1.00 24.44 H new ATOM 0 HZ3 LYS A 41 -15.334 12.484 5.057 1.00 24.44 H new ATOM 634 N GLN A 42 -19.109 8.042 0.198 1.00 13.43 N ATOM 635 CA GLN A 42 -20.536 7.944 -0.039 1.00 14.35 C ATOM 636 C GLN A 42 -20.995 6.488 -0.096 1.00 3.02 C ATOM 637 O GLN A 42 -22.074 6.133 0.367 1.00 74.23 O ATOM 638 CB GLN A 42 -20.860 8.658 -1.360 1.00 33.11 C ATOM 639 CG GLN A 42 -22.244 9.298 -1.307 1.00 52.01 C ATOM 640 CD GLN A 42 -22.224 10.565 -0.456 1.00 33.43 C ATOM 641 OE1 GLN A 42 -21.738 11.613 -0.877 1.00 41.01 O ATOM 642 NE2 GLN A 42 -22.678 10.498 0.785 1.00 20.24 N ATOM 0 H GLN A 42 -18.593 8.499 -0.554 1.00 13.43 H new ATOM 0 HA GLN A 42 -21.068 8.417 0.786 1.00 14.35 H new ATOM 0 HB2 GLN A 42 -20.109 9.422 -1.559 1.00 33.11 H new ATOM 0 HB3 GLN A 42 -20.816 7.946 -2.184 1.00 33.11 H new ATOM 0 HG2 GLN A 42 -22.577 9.538 -2.317 1.00 52.01 H new ATOM 0 HG3 GLN A 42 -22.962 8.589 -0.895 1.00 52.01 H new ATOM 0 HE21 GLN A 42 -23.081 9.629 1.134 1.00 20.24 H new ATOM 0 HE22 GLN A 42 -22.625 11.316 1.392 1.00 20.24 H new ATOM 651 N THR A 43 -20.138 5.644 -0.666 1.00 15.24 N ATOM 652 CA THR A 43 -20.366 4.234 -0.912 1.00 2.32 C ATOM 653 C THR A 43 -19.817 3.360 0.222 1.00 3.23 C ATOM 654 O THR A 43 -20.022 2.151 0.232 1.00 51.43 O ATOM 655 CB THR A 43 -19.739 3.896 -2.268 1.00 4.03 C ATOM 656 OG1 THR A 43 -18.337 4.034 -2.204 1.00 55.00 O ATOM 657 CG2 THR A 43 -20.224 4.849 -3.359 1.00 12.21 C ATOM 0 H THR A 43 -19.218 5.948 -0.984 1.00 15.24 H new ATOM 0 HA THR A 43 -21.435 4.023 -0.940 1.00 2.32 H new ATOM 0 HB THR A 43 -20.029 2.872 -2.503 1.00 4.03 H new ATOM 0 HG1 THR A 43 -17.947 3.814 -3.075 1.00 55.00 H new ATOM 0 HG21 THR A 43 -19.760 4.582 -4.308 1.00 12.21 H new ATOM 0 HG22 THR A 43 -21.308 4.775 -3.451 1.00 12.21 H new ATOM 0 HG23 THR A 43 -19.951 5.871 -3.097 1.00 12.21 H new ATOM 665 N GLN A 44 -18.999 3.957 1.106 1.00 64.53 N ATOM 666 CA GLN A 44 -18.092 3.339 2.072 1.00 54.32 C ATOM 667 C GLN A 44 -16.869 2.671 1.448 1.00 71.52 C ATOM 668 O GLN A 44 -15.934 2.374 2.197 1.00 73.41 O ATOM 669 CB GLN A 44 -18.804 2.331 2.996 1.00 14.44 C ATOM 670 CG GLN A 44 -19.933 2.951 3.819 1.00 1.34 C ATOM 671 CD GLN A 44 -19.370 3.999 4.769 1.00 51.32 C ATOM 672 OE1 GLN A 44 -18.435 3.723 5.523 1.00 31.53 O ATOM 673 NE2 GLN A 44 -19.816 5.238 4.692 1.00 34.24 N ATOM 0 H GLN A 44 -18.957 4.975 1.163 1.00 64.53 H new ATOM 0 HA GLN A 44 -17.737 4.182 2.665 1.00 54.32 H new ATOM 0 HB2 GLN A 44 -19.209 1.519 2.392 1.00 14.44 H new ATOM 0 HB3 GLN A 44 -18.072 1.890 3.672 1.00 14.44 H new ATOM 0 HG2 GLN A 44 -20.669 3.407 3.157 1.00 1.34 H new ATOM 0 HG3 GLN A 44 -20.450 2.176 4.385 1.00 1.34 H new ATOM 0 HE21 GLN A 44 -20.590 5.464 4.067 1.00 34.24 H new ATOM 0 HE22 GLN A 44 -19.387 5.971 5.257 1.00 34.24 H new ATOM 682 N LEU A 45 -16.867 2.427 0.137 1.00 34.12 N ATOM 683 CA LEU A 45 -15.829 1.679 -0.556 1.00 30.25 C ATOM 684 C LEU A 45 -14.525 2.470 -0.596 1.00 22.55 C ATOM 685 O LEU A 45 -14.491 3.665 -0.288 1.00 72.12 O ATOM 686 CB LEU A 45 -16.257 1.380 -2.000 1.00 30.54 C ATOM 687 CG LEU A 45 -17.641 0.725 -2.170 1.00 11.21 C ATOM 688 CD1 LEU A 45 -17.938 0.582 -3.661 1.00 65.52 C ATOM 689 CD2 LEU A 45 -17.794 -0.607 -1.433 1.00 65.30 C ATOM 0 H LEU A 45 -17.607 2.754 -0.484 1.00 34.12 H new ATOM 0 HA LEU A 45 -15.676 0.748 -0.011 1.00 30.25 H new ATOM 0 HB2 LEU A 45 -16.247 2.314 -2.562 1.00 30.54 H new ATOM 0 HB3 LEU A 45 -15.510 0.728 -2.452 1.00 30.54 H new ATOM 0 HG LEU A 45 -18.376 1.381 -1.702 1.00 11.21 H new ATOM 0 HD11 LEU A 45 -18.916 0.119 -3.794 1.00 65.52 H new ATOM 0 HD12 LEU A 45 -17.936 1.567 -4.129 1.00 65.52 H new ATOM 0 HD13 LEU A 45 -17.175 -0.042 -4.126 1.00 65.52 H new ATOM 0 HD21 LEU A 45 -18.795 -1.004 -1.602 1.00 65.30 H new ATOM 0 HD22 LEU A 45 -17.055 -1.316 -1.806 1.00 65.30 H new ATOM 0 HD23 LEU A 45 -17.641 -0.452 -0.365 1.00 65.30 H new ATOM 701 N ASN A 46 -13.461 1.819 -1.059 1.00 4.03 N ATOM 702 CA ASN A 46 -12.181 2.444 -1.363 1.00 2.21 C ATOM 703 C ASN A 46 -11.998 2.680 -2.869 1.00 32.34 C ATOM 704 O ASN A 46 -12.799 2.228 -3.697 1.00 63.12 O ATOM 705 CB ASN A 46 -11.039 1.651 -0.716 1.00 13.22 C ATOM 706 CG ASN A 46 -10.713 0.346 -1.428 1.00 25.52 C ATOM 707 OD1 ASN A 46 -10.557 0.286 -2.641 1.00 24.54 O ATOM 708 ND2 ASN A 46 -10.619 -0.741 -0.695 1.00 10.44 N ATOM 0 H ASN A 46 -13.468 0.815 -1.237 1.00 4.03 H new ATOM 0 HA ASN A 46 -12.162 3.441 -0.922 1.00 2.21 H new ATOM 0 HB2 ASN A 46 -10.145 2.274 -0.693 1.00 13.22 H new ATOM 0 HB3 ASN A 46 -11.302 1.433 0.319 1.00 13.22 H new ATOM 0 HD21 ASN A 46 -10.416 -1.638 -1.136 1.00 10.44 H new ATOM 0 HD22 ASN A 46 -10.749 -0.688 0.315 1.00 10.44 H new ATOM 715 N ARG A 47 -10.947 3.432 -3.221 1.00 35.34 N ATOM 716 CA ARG A 47 -10.654 3.829 -4.603 1.00 75.43 C ATOM 717 C ARG A 47 -9.746 2.824 -5.326 1.00 42.32 C ATOM 718 O ARG A 47 -9.616 2.910 -6.546 1.00 41.31 O ATOM 719 CB ARG A 47 -10.097 5.266 -4.649 1.00 33.42 C ATOM 720 CG ARG A 47 -11.157 6.320 -4.244 1.00 33.54 C ATOM 721 CD ARG A 47 -11.475 7.339 -5.351 1.00 13.35 C ATOM 722 NE ARG A 47 -12.063 6.719 -6.550 1.00 13.03 N ATOM 723 CZ ARG A 47 -12.533 7.377 -7.618 1.00 60.52 C ATOM 724 NH1 ARG A 47 -12.534 8.705 -7.657 1.00 61.44 N ATOM 725 NH2 ARG A 47 -12.993 6.688 -8.657 1.00 44.10 N ATOM 0 H ARG A 47 -10.269 3.785 -2.546 1.00 35.34 H new ATOM 0 HA ARG A 47 -11.595 3.820 -5.154 1.00 75.43 H new ATOM 0 HB2 ARG A 47 -9.239 5.342 -3.982 1.00 33.42 H new ATOM 0 HB3 ARG A 47 -9.739 5.482 -5.655 1.00 33.42 H new ATOM 0 HG2 ARG A 47 -12.076 5.807 -3.961 1.00 33.54 H new ATOM 0 HG3 ARG A 47 -10.805 6.854 -3.361 1.00 33.54 H new ATOM 0 HD2 ARG A 47 -12.164 8.088 -4.961 1.00 13.35 H new ATOM 0 HD3 ARG A 47 -10.560 7.862 -5.630 1.00 13.35 H new ATOM 0 HE ARG A 47 -12.117 5.701 -6.569 1.00 13.03 H new ATOM 0 HH11 ARG A 47 -12.173 9.239 -6.866 1.00 61.44 H new ATOM 0 HH12 ARG A 47 -12.895 9.191 -8.478 1.00 61.44 H new ATOM 0 HH21 ARG A 47 -12.986 5.668 -8.636 1.00 44.10 H new ATOM 0 HH22 ARG A 47 -13.353 7.179 -9.475 1.00 44.10 H new ATOM 739 N GLY A 48 -9.102 1.903 -4.608 1.00 44.33 N ATOM 740 CA GLY A 48 -8.488 0.720 -5.197 1.00 74.21 C ATOM 741 C GLY A 48 -6.963 0.781 -5.260 1.00 61.21 C ATOM 742 O GLY A 48 -6.318 -0.052 -5.894 1.00 25.45 O ATOM 0 H GLY A 48 -8.993 1.960 -3.595 1.00 44.33 H new ATOM 0 HA2 GLY A 48 -8.783 -0.156 -4.620 1.00 74.21 H new ATOM 0 HA3 GLY A 48 -8.878 0.584 -6.206 1.00 74.21 H new ATOM 746 N PHE A 49 -6.364 1.725 -4.544 1.00 10.32 N ATOM 747 CA PHE A 49 -4.927 1.936 -4.412 1.00 2.41 C ATOM 748 C PHE A 49 -4.677 2.532 -3.029 1.00 4.01 C ATOM 749 O PHE A 49 -5.628 2.891 -2.327 1.00 10.21 O ATOM 750 CB PHE A 49 -4.405 2.832 -5.548 1.00 54.41 C ATOM 751 CG PHE A 49 -5.230 4.066 -5.813 1.00 63.12 C ATOM 752 CD1 PHE A 49 -6.299 4.008 -6.720 1.00 55.43 C ATOM 753 CD2 PHE A 49 -4.923 5.264 -5.153 1.00 40.01 C ATOM 754 CE1 PHE A 49 -7.089 5.151 -6.936 1.00 3.14 C ATOM 755 CE2 PHE A 49 -5.707 6.408 -5.378 1.00 63.11 C ATOM 756 CZ PHE A 49 -6.794 6.353 -6.266 1.00 52.31 C ATOM 0 H PHE A 49 -6.902 2.406 -4.007 1.00 10.32 H new ATOM 0 HA PHE A 49 -4.380 0.997 -4.499 1.00 2.41 H new ATOM 0 HB2 PHE A 49 -3.386 3.138 -5.311 1.00 54.41 H new ATOM 0 HB3 PHE A 49 -4.356 2.242 -6.463 1.00 54.41 H new ATOM 0 HD1 PHE A 49 -6.514 3.091 -7.249 1.00 55.43 H new ATOM 0 HD2 PHE A 49 -4.085 5.308 -4.473 1.00 40.01 H new ATOM 0 HE1 PHE A 49 -7.925 5.106 -7.618 1.00 3.14 H new ATOM 0 HE2 PHE A 49 -5.474 7.331 -4.868 1.00 63.11 H new ATOM 0 HZ PHE A 49 -7.401 7.230 -6.434 1.00 52.31 H new ATOM 766 N ALA A 50 -3.427 2.629 -2.597 1.00 23.32 N ATOM 767 CA ALA A 50 -3.063 3.243 -1.323 1.00 24.43 C ATOM 768 C ALA A 50 -1.626 3.762 -1.414 1.00 31.21 C ATOM 769 O ALA A 50 -0.974 3.515 -2.424 1.00 55.21 O ATOM 770 CB ALA A 50 -3.247 2.222 -0.192 1.00 34.41 C ATOM 0 H ALA A 50 -2.627 2.281 -3.125 1.00 23.32 H new ATOM 0 HA ALA A 50 -3.710 4.091 -1.101 1.00 24.43 H new ATOM 0 HB1 ALA A 50 -2.975 2.680 0.759 1.00 34.41 H new ATOM 0 HB2 ALA A 50 -4.288 1.902 -0.157 1.00 34.41 H new ATOM 0 HB3 ALA A 50 -2.608 1.358 -0.374 1.00 34.41 H new ATOM 776 N PHE A 51 -1.138 4.479 -0.400 1.00 15.24 N ATOM 777 CA PHE A 51 0.154 5.165 -0.421 1.00 3.45 C ATOM 778 C PHE A 51 0.814 4.988 0.947 1.00 63.42 C ATOM 779 O PHE A 51 0.379 5.632 1.895 1.00 42.43 O ATOM 780 CB PHE A 51 -0.031 6.670 -0.710 1.00 63.30 C ATOM 781 CG PHE A 51 -0.826 7.041 -1.944 1.00 51.12 C ATOM 782 CD1 PHE A 51 -0.163 7.495 -3.095 1.00 15.45 C ATOM 783 CD2 PHE A 51 -2.234 6.995 -1.928 1.00 2.23 C ATOM 784 CE1 PHE A 51 -0.901 7.851 -4.234 1.00 0.01 C ATOM 785 CE2 PHE A 51 -2.974 7.365 -3.061 1.00 62.33 C ATOM 786 CZ PHE A 51 -2.306 7.786 -4.224 1.00 74.23 C ATOM 0 H PHE A 51 -1.642 4.601 0.478 1.00 15.24 H new ATOM 0 HA PHE A 51 0.777 4.739 -1.208 1.00 3.45 H new ATOM 0 HB2 PHE A 51 -0.516 7.124 0.154 1.00 63.30 H new ATOM 0 HB3 PHE A 51 0.957 7.122 -0.795 1.00 63.30 H new ATOM 0 HD1 PHE A 51 0.914 7.570 -3.104 1.00 15.45 H new ATOM 0 HD2 PHE A 51 -2.749 6.672 -1.035 1.00 2.23 H new ATOM 0 HE1 PHE A 51 -0.386 8.178 -5.125 1.00 0.01 H new ATOM 0 HE2 PHE A 51 -4.053 7.327 -3.040 1.00 62.33 H new ATOM 0 HZ PHE A 51 -2.868 8.058 -5.105 1.00 74.23 H new ATOM 796 N ILE A 52 1.823 4.136 1.093 1.00 43.30 N ATOM 797 CA ILE A 52 2.709 4.103 2.258 1.00 73.30 C ATOM 798 C ILE A 52 3.610 5.342 2.259 1.00 74.34 C ATOM 799 O ILE A 52 4.111 5.731 1.199 1.00 43.42 O ATOM 800 CB ILE A 52 3.557 2.814 2.238 1.00 72.13 C ATOM 801 CG1 ILE A 52 2.719 1.518 2.191 1.00 72.12 C ATOM 802 CG2 ILE A 52 4.587 2.751 3.374 1.00 30.35 C ATOM 803 CD1 ILE A 52 3.425 0.375 1.451 1.00 4.32 C ATOM 0 H ILE A 52 2.055 3.433 0.391 1.00 43.30 H new ATOM 0 HA ILE A 52 2.109 4.108 3.168 1.00 73.30 H new ATOM 0 HB ILE A 52 4.105 2.873 1.298 1.00 72.13 H new ATOM 0 HG12 ILE A 52 2.494 1.200 3.209 1.00 72.12 H new ATOM 0 HG13 ILE A 52 1.766 1.725 1.704 1.00 72.12 H new ATOM 0 HG21 ILE A 52 5.150 1.820 3.303 1.00 30.35 H new ATOM 0 HG22 ILE A 52 5.271 3.596 3.293 1.00 30.35 H new ATOM 0 HG23 ILE A 52 4.073 2.792 4.334 1.00 30.35 H new ATOM 0 HD11 ILE A 52 2.786 -0.508 1.452 1.00 4.32 H new ATOM 0 HD12 ILE A 52 3.626 0.677 0.423 1.00 4.32 H new ATOM 0 HD13 ILE A 52 4.365 0.143 1.952 1.00 4.32 H new ATOM 815 N GLN A 53 3.877 5.917 3.437 1.00 54.51 N ATOM 816 CA GLN A 53 4.979 6.842 3.657 1.00 75.30 C ATOM 817 C GLN A 53 5.938 6.198 4.656 1.00 15.34 C ATOM 818 O GLN A 53 5.496 5.621 5.656 1.00 32.14 O ATOM 819 CB GLN A 53 4.457 8.171 4.212 1.00 22.01 C ATOM 820 CG GLN A 53 3.710 9.029 3.183 1.00 2.34 C ATOM 821 CD GLN A 53 2.286 8.530 2.970 1.00 33.11 C ATOM 822 OE1 GLN A 53 1.438 8.628 3.849 1.00 12.32 O ATOM 823 NE2 GLN A 53 1.979 7.954 1.819 1.00 44.34 N ATOM 0 H GLN A 53 3.320 5.745 4.274 1.00 54.51 H new ATOM 0 HA GLN A 53 5.490 7.048 2.716 1.00 75.30 H new ATOM 0 HB2 GLN A 53 3.791 7.966 5.050 1.00 22.01 H new ATOM 0 HB3 GLN A 53 5.297 8.743 4.605 1.00 22.01 H new ATOM 0 HG2 GLN A 53 3.687 10.065 3.520 1.00 2.34 H new ATOM 0 HG3 GLN A 53 4.248 9.013 2.235 1.00 2.34 H new ATOM 0 HE21 GLN A 53 2.684 7.872 1.086 1.00 44.34 H new ATOM 0 HE22 GLN A 53 1.038 7.593 1.665 1.00 44.34 H new ATOM 832 N LEU A 54 7.240 6.318 4.394 1.00 73.24 N ATOM 833 CA LEU A 54 8.338 5.802 5.204 1.00 24.44 C ATOM 834 C LEU A 54 9.480 6.825 5.179 1.00 44.12 C ATOM 835 O LEU A 54 9.420 7.807 4.434 1.00 32.23 O ATOM 836 CB LEU A 54 8.808 4.438 4.646 1.00 32.34 C ATOM 837 CG LEU A 54 7.995 3.218 5.115 1.00 21.34 C ATOM 838 CD1 LEU A 54 8.453 1.961 4.365 1.00 31.15 C ATOM 839 CD2 LEU A 54 8.146 3.000 6.623 1.00 21.11 C ATOM 0 H LEU A 54 7.573 6.806 3.563 1.00 73.24 H new ATOM 0 HA LEU A 54 8.012 5.649 6.233 1.00 24.44 H new ATOM 0 HB2 LEU A 54 8.775 4.479 3.557 1.00 32.34 H new ATOM 0 HB3 LEU A 54 9.850 4.289 4.928 1.00 32.34 H new ATOM 0 HG LEU A 54 6.944 3.410 4.898 1.00 21.34 H new ATOM 0 HD11 LEU A 54 7.872 1.103 4.704 1.00 31.15 H new ATOM 0 HD12 LEU A 54 8.303 2.101 3.295 1.00 31.15 H new ATOM 0 HD13 LEU A 54 9.510 1.784 4.563 1.00 31.15 H new ATOM 0 HD21 LEU A 54 7.561 2.132 6.925 1.00 21.11 H new ATOM 0 HD22 LEU A 54 9.196 2.832 6.863 1.00 21.11 H new ATOM 0 HD23 LEU A 54 7.789 3.881 7.156 1.00 21.11 H new ATOM 851 N SER A 55 10.527 6.587 5.977 1.00 63.33 N ATOM 852 CA SER A 55 11.797 7.305 5.894 1.00 23.24 C ATOM 853 C SER A 55 12.354 7.234 4.468 1.00 55.32 C ATOM 854 O SER A 55 12.045 6.297 3.732 1.00 54.41 O ATOM 855 CB SER A 55 12.793 6.662 6.870 1.00 41.43 C ATOM 856 OG SER A 55 13.194 7.549 7.894 1.00 53.50 O ATOM 0 H SER A 55 10.512 5.878 6.710 1.00 63.33 H new ATOM 0 HA SER A 55 11.641 8.352 6.155 1.00 23.24 H new ATOM 0 HB2 SER A 55 12.340 5.777 7.317 1.00 41.43 H new ATOM 0 HB3 SER A 55 13.672 6.326 6.319 1.00 41.43 H new ATOM 0 HG SER A 55 13.825 7.096 8.491 1.00 53.50 H new ATOM 862 N THR A 56 13.225 8.176 4.107 1.00 33.32 N ATOM 863 CA THR A 56 13.711 8.358 2.746 1.00 20.14 C ATOM 864 C THR A 56 14.369 7.080 2.228 1.00 63.41 C ATOM 865 O THR A 56 13.966 6.511 1.210 1.00 60.44 O ATOM 866 CB THR A 56 14.673 9.565 2.728 1.00 22.44 C ATOM 867 OG1 THR A 56 14.155 10.606 3.537 1.00 44.12 O ATOM 868 CG2 THR A 56 14.884 10.125 1.326 1.00 3.33 C ATOM 0 H THR A 56 13.618 8.846 4.768 1.00 33.32 H new ATOM 0 HA THR A 56 12.880 8.565 2.072 1.00 20.14 H new ATOM 0 HB THR A 56 15.629 9.205 3.107 1.00 22.44 H new ATOM 0 HG1 THR A 56 14.771 11.368 3.523 1.00 44.12 H new ATOM 0 HG21 THR A 56 15.569 10.972 1.372 1.00 3.33 H new ATOM 0 HG22 THR A 56 15.306 9.351 0.685 1.00 3.33 H new ATOM 0 HG23 THR A 56 13.928 10.453 0.918 1.00 3.33 H new ATOM 876 N ILE A 57 15.384 6.620 2.958 1.00 53.11 N ATOM 877 CA ILE A 57 16.096 5.399 2.651 1.00 34.35 C ATOM 878 C ILE A 57 15.210 4.189 2.917 1.00 54.10 C ATOM 879 O ILE A 57 15.204 3.282 2.096 1.00 72.41 O ATOM 880 CB ILE A 57 17.456 5.372 3.373 1.00 1.21 C ATOM 881 CG1 ILE A 57 18.278 6.614 2.977 1.00 61.12 C ATOM 882 CG2 ILE A 57 18.203 4.071 3.072 1.00 50.51 C ATOM 883 CD1 ILE A 57 19.588 6.757 3.742 1.00 41.32 C ATOM 0 H ILE A 57 15.733 7.098 3.789 1.00 53.11 H new ATOM 0 HA ILE A 57 16.333 5.359 1.588 1.00 34.35 H new ATOM 0 HB ILE A 57 17.294 5.403 4.450 1.00 1.21 H new ATOM 0 HG12 ILE A 57 18.495 6.569 1.910 1.00 61.12 H new ATOM 0 HG13 ILE A 57 17.673 7.506 3.142 1.00 61.12 H new ATOM 0 HG21 ILE A 57 19.161 4.073 3.592 1.00 50.51 H new ATOM 0 HG22 ILE A 57 17.608 3.223 3.411 1.00 50.51 H new ATOM 0 HG23 ILE A 57 18.373 3.989 1.998 1.00 50.51 H new ATOM 0 HD11 ILE A 57 20.109 7.654 3.407 1.00 41.32 H new ATOM 0 HD12 ILE A 57 19.380 6.835 4.809 1.00 41.32 H new ATOM 0 HD13 ILE A 57 20.214 5.884 3.558 1.00 41.32 H new ATOM 895 N GLU A 58 14.447 4.163 4.010 1.00 50.53 N ATOM 896 CA GLU A 58 13.633 3.005 4.371 1.00 43.41 C ATOM 897 C GLU A 58 12.651 2.645 3.269 1.00 44.30 C ATOM 898 O GLU A 58 12.621 1.492 2.850 1.00 72.31 O ATOM 899 CB GLU A 58 12.865 3.281 5.665 1.00 65.11 C ATOM 900 CG GLU A 58 13.778 3.277 6.885 1.00 3.23 C ATOM 901 CD GLU A 58 14.185 1.850 7.269 1.00 71.00 C ATOM 902 OE1 GLU A 58 13.577 1.302 8.213 1.00 1.12 O ATOM 903 OE2 GLU A 58 15.094 1.289 6.607 1.00 44.24 O ATOM 0 H GLU A 58 14.377 4.941 4.666 1.00 50.53 H new ATOM 0 HA GLU A 58 14.309 2.163 4.516 1.00 43.41 H new ATOM 0 HB2 GLU A 58 12.365 4.247 5.590 1.00 65.11 H new ATOM 0 HB3 GLU A 58 12.087 2.528 5.792 1.00 65.11 H new ATOM 0 HG2 GLU A 58 14.670 3.869 6.677 1.00 3.23 H new ATOM 0 HG3 GLU A 58 13.269 3.751 7.724 1.00 3.23 H new ATOM 910 N ALA A 59 11.901 3.633 2.773 1.00 12.22 N ATOM 911 CA ALA A 59 10.991 3.482 1.645 1.00 74.02 C ATOM 912 C ALA A 59 11.702 2.768 0.492 1.00 14.13 C ATOM 913 O ALA A 59 11.234 1.745 -0.004 1.00 52.52 O ATOM 914 CB ALA A 59 10.483 4.857 1.177 1.00 12.52 C ATOM 0 H ALA A 59 11.913 4.578 3.156 1.00 12.22 H new ATOM 0 HA ALA A 59 10.137 2.884 1.964 1.00 74.02 H new ATOM 0 HB1 ALA A 59 9.805 4.727 0.334 1.00 12.52 H new ATOM 0 HB2 ALA A 59 9.955 5.348 1.995 1.00 12.52 H new ATOM 0 HB3 ALA A 59 11.329 5.472 0.870 1.00 12.52 H new ATOM 920 N ALA A 60 12.840 3.321 0.073 1.00 24.33 N ATOM 921 CA ALA A 60 13.589 2.831 -1.064 1.00 65.21 C ATOM 922 C ALA A 60 14.201 1.452 -0.826 1.00 31.12 C ATOM 923 O ALA A 60 14.228 0.649 -1.754 1.00 32.01 O ATOM 924 CB ALA A 60 14.676 3.857 -1.411 1.00 55.40 C ATOM 0 H ALA A 60 13.265 4.131 0.525 1.00 24.33 H new ATOM 0 HA ALA A 60 12.899 2.709 -1.899 1.00 65.21 H new ATOM 0 HB1 ALA A 60 15.251 3.503 -2.267 1.00 55.40 H new ATOM 0 HB2 ALA A 60 14.210 4.812 -1.656 1.00 55.40 H new ATOM 0 HB3 ALA A 60 15.340 3.986 -0.557 1.00 55.40 H new ATOM 930 N GLN A 61 14.720 1.174 0.370 1.00 43.54 N ATOM 931 CA GLN A 61 15.310 -0.109 0.726 1.00 34.40 C ATOM 932 C GLN A 61 14.234 -1.180 0.689 1.00 1.43 C ATOM 933 O GLN A 61 14.327 -2.120 -0.096 1.00 63.21 O ATOM 934 CB GLN A 61 15.926 -0.062 2.133 1.00 41.31 C ATOM 935 CG GLN A 61 17.263 0.677 2.149 1.00 41.54 C ATOM 936 CD GLN A 61 17.932 0.656 3.523 1.00 21.23 C ATOM 937 OE1 GLN A 61 19.144 0.457 3.615 1.00 44.33 O ATOM 938 NE2 GLN A 61 17.217 0.885 4.614 1.00 43.24 N ATOM 0 H GLN A 61 14.741 1.852 1.132 1.00 43.54 H new ATOM 0 HA GLN A 61 16.099 -0.337 0.010 1.00 34.40 H new ATOM 0 HB2 GLN A 61 15.233 0.429 2.816 1.00 41.31 H new ATOM 0 HB3 GLN A 61 16.069 -1.078 2.500 1.00 41.31 H new ATOM 0 HG2 GLN A 61 17.932 0.225 1.417 1.00 41.54 H new ATOM 0 HG3 GLN A 61 17.106 1.711 1.842 1.00 41.54 H new ATOM 0 HE21 GLN A 61 16.213 1.050 4.541 1.00 43.24 H new ATOM 0 HE22 GLN A 61 17.670 0.896 5.528 1.00 43.24 H new ATOM 947 N LEU A 62 13.222 -1.030 1.546 1.00 54.44 N ATOM 948 CA LEU A 62 12.208 -2.044 1.792 1.00 63.15 C ATOM 949 C LEU A 62 11.519 -2.409 0.484 1.00 45.54 C ATOM 950 O LEU A 62 11.289 -3.582 0.209 1.00 74.03 O ATOM 951 CB LEU A 62 11.195 -1.508 2.812 1.00 14.44 C ATOM 952 CG LEU A 62 10.559 -2.542 3.733 1.00 63.22 C ATOM 953 CD1 LEU A 62 10.110 -3.835 3.055 1.00 14.40 C ATOM 954 CD2 LEU A 62 11.450 -2.861 4.938 1.00 12.51 C ATOM 0 H LEU A 62 13.086 -0.182 2.096 1.00 54.44 H new ATOM 0 HA LEU A 62 12.672 -2.943 2.197 1.00 63.15 H new ATOM 0 HB2 LEU A 62 11.693 -0.759 3.429 1.00 14.44 H new ATOM 0 HB3 LEU A 62 10.400 -0.997 2.269 1.00 14.44 H new ATOM 0 HG LEU A 62 9.645 -2.054 4.072 1.00 63.22 H new ATOM 0 HD11 LEU A 62 9.672 -4.502 3.797 1.00 14.40 H new ATOM 0 HD12 LEU A 62 9.368 -3.606 2.290 1.00 14.40 H new ATOM 0 HD13 LEU A 62 10.969 -4.321 2.593 1.00 14.40 H new ATOM 0 HD21 LEU A 62 10.958 -3.602 5.568 1.00 12.51 H new ATOM 0 HD22 LEU A 62 12.405 -3.256 4.590 1.00 12.51 H new ATOM 0 HD23 LEU A 62 11.622 -1.952 5.514 1.00 12.51 H new ATOM 966 N LEU A 63 11.260 -1.413 -0.367 1.00 61.34 N ATOM 967 CA LEU A 63 10.642 -1.632 -1.660 1.00 65.12 C ATOM 968 C LEU A 63 11.398 -2.709 -2.445 1.00 24.11 C ATOM 969 O LEU A 63 10.769 -3.639 -2.950 1.00 45.35 O ATOM 970 CB LEU A 63 10.600 -0.312 -2.437 1.00 13.13 C ATOM 971 CG LEU A 63 10.009 -0.459 -3.855 1.00 31.21 C ATOM 972 CD1 LEU A 63 8.517 -0.114 -3.874 1.00 62.13 C ATOM 973 CD2 LEU A 63 10.799 0.434 -4.809 1.00 70.21 C ATOM 0 H LEU A 63 11.476 -0.436 -0.171 1.00 61.34 H new ATOM 0 HA LEU A 63 9.621 -1.986 -1.514 1.00 65.12 H new ATOM 0 HB2 LEU A 63 10.009 0.413 -1.877 1.00 13.13 H new ATOM 0 HB3 LEU A 63 11.610 0.090 -2.511 1.00 13.13 H new ATOM 0 HG LEU A 63 10.094 -1.497 -4.178 1.00 31.21 H new ATOM 0 HD11 LEU A 63 8.130 -0.227 -4.887 1.00 62.13 H new ATOM 0 HD12 LEU A 63 7.980 -0.785 -3.203 1.00 62.13 H new ATOM 0 HD13 LEU A 63 8.377 0.916 -3.545 1.00 62.13 H new ATOM 0 HD21 LEU A 63 10.392 0.340 -5.816 1.00 70.21 H new ATOM 0 HD22 LEU A 63 10.724 1.471 -4.482 1.00 70.21 H new ATOM 0 HD23 LEU A 63 11.845 0.129 -4.811 1.00 70.21 H new ATOM 985 N GLN A 64 12.729 -2.590 -2.538 1.00 12.31 N ATOM 986 CA GLN A 64 13.564 -3.498 -3.320 1.00 34.44 C ATOM 987 C GLN A 64 13.467 -4.934 -2.795 1.00 30.31 C ATOM 988 O GLN A 64 13.622 -5.870 -3.572 1.00 30.42 O ATOM 989 CB GLN A 64 15.041 -3.077 -3.232 1.00 70.34 C ATOM 990 CG GLN A 64 15.395 -1.705 -3.803 1.00 22.44 C ATOM 991 CD GLN A 64 15.284 -1.594 -5.312 1.00 45.41 C ATOM 992 OE1 GLN A 64 14.148 -1.136 -5.809 1.00 34.43 O flip ATOM 993 NE2 GLN A 64 16.235 -1.881 -6.037 1.00 10.40 N flip ATOM 0 H GLN A 64 13.256 -1.854 -2.068 1.00 12.31 H new ATOM 0 HA GLN A 64 13.206 -3.452 -4.349 1.00 34.44 H new ATOM 0 HB2 GLN A 64 15.339 -3.097 -2.184 1.00 70.34 H new ATOM 0 HB3 GLN A 64 15.641 -3.826 -3.749 1.00 70.34 H new ATOM 0 HG2 GLN A 64 14.742 -0.959 -3.349 1.00 22.44 H new ATOM 0 HG3 GLN A 64 16.415 -1.457 -3.509 1.00 22.44 H new ATOM 0 HE21 GLN A 64 17.101 -2.233 -5.628 1.00 10.40 H new ATOM 0 HE22 GLN A 64 16.158 -1.767 -7.048 1.00 10.40 H new ATOM 1002 N ILE A 65 13.256 -5.114 -1.487 1.00 73.32 N ATOM 1003 CA ILE A 65 13.167 -6.416 -0.834 1.00 62.12 C ATOM 1004 C ILE A 65 11.995 -7.163 -1.485 1.00 12.52 C ATOM 1005 O ILE A 65 12.204 -8.202 -2.123 1.00 12.11 O ATOM 1006 CB ILE A 65 13.097 -6.245 0.712 1.00 52.24 C ATOM 1007 CG1 ILE A 65 14.306 -5.416 1.218 1.00 70.02 C ATOM 1008 CG2 ILE A 65 13.045 -7.589 1.444 1.00 2.21 C ATOM 1009 CD1 ILE A 65 14.353 -5.214 2.738 1.00 42.24 C ATOM 0 H ILE A 65 13.140 -4.335 -0.839 1.00 73.32 H new ATOM 0 HA ILE A 65 14.057 -7.029 -0.978 1.00 62.12 H new ATOM 0 HB ILE A 65 12.171 -5.714 0.933 1.00 52.24 H new ATOM 0 HG12 ILE A 65 15.225 -5.909 0.902 1.00 70.02 H new ATOM 0 HG13 ILE A 65 14.287 -4.439 0.736 1.00 70.02 H new ATOM 0 HG21 ILE A 65 12.997 -7.416 2.519 1.00 2.21 H new ATOM 0 HG22 ILE A 65 12.162 -8.143 1.126 1.00 2.21 H new ATOM 0 HG23 ILE A 65 13.939 -8.166 1.209 1.00 2.21 H new ATOM 0 HD11 ILE A 65 15.231 -4.624 3.000 1.00 42.24 H new ATOM 0 HD12 ILE A 65 13.454 -4.691 3.063 1.00 42.24 H new ATOM 0 HD13 ILE A 65 14.407 -6.184 3.232 1.00 42.24 H new ATOM 1021 N LEU A 66 10.786 -6.590 -1.417 1.00 42.14 N ATOM 1022 CA LEU A 66 9.581 -7.133 -2.049 1.00 34.20 C ATOM 1023 C LEU A 66 9.753 -7.296 -3.563 1.00 2.22 C ATOM 1024 O LEU A 66 9.173 -8.218 -4.137 1.00 45.55 O ATOM 1025 CB LEU A 66 8.352 -6.239 -1.793 1.00 71.33 C ATOM 1026 CG LEU A 66 7.766 -6.189 -0.368 1.00 53.41 C ATOM 1027 CD1 LEU A 66 7.528 -7.568 0.243 1.00 12.53 C ATOM 1028 CD2 LEU A 66 8.618 -5.389 0.603 1.00 24.13 C ATOM 0 H LEU A 66 10.617 -5.720 -0.911 1.00 42.14 H new ATOM 0 HA LEU A 66 9.422 -8.112 -1.596 1.00 34.20 H new ATOM 0 HB2 LEU A 66 8.617 -5.221 -2.079 1.00 71.33 H new ATOM 0 HB3 LEU A 66 7.559 -6.564 -2.467 1.00 71.33 H new ATOM 0 HG LEU A 66 6.807 -5.689 -0.508 1.00 53.41 H new ATOM 0 HD11 LEU A 66 7.115 -7.455 1.245 1.00 12.53 H new ATOM 0 HD12 LEU A 66 6.826 -8.125 -0.378 1.00 12.53 H new ATOM 0 HD13 LEU A 66 8.472 -8.109 0.298 1.00 12.53 H new ATOM 0 HD21 LEU A 66 8.149 -5.393 1.587 1.00 24.13 H new ATOM 0 HD22 LEU A 66 9.610 -5.837 0.671 1.00 24.13 H new ATOM 0 HD23 LEU A 66 8.707 -4.362 0.248 1.00 24.13 H new ATOM 1040 N GLN A 67 10.530 -6.437 -4.220 1.00 53.14 N ATOM 1041 CA GLN A 67 10.730 -6.461 -5.679 1.00 41.51 C ATOM 1042 C GLN A 67 11.766 -7.506 -6.122 1.00 45.53 C ATOM 1043 O GLN A 67 12.202 -7.498 -7.281 1.00 32.40 O ATOM 1044 CB GLN A 67 11.134 -5.063 -6.174 1.00 61.24 C ATOM 1045 CG GLN A 67 9.946 -4.099 -6.134 1.00 41.21 C ATOM 1046 CD GLN A 67 10.245 -2.750 -6.792 1.00 71.34 C ATOM 1047 OE1 GLN A 67 11.359 -2.433 -7.218 1.00 54.14 O ATOM 1048 NE2 GLN A 67 9.242 -1.902 -6.884 1.00 33.14 N ATOM 0 H GLN A 67 11.048 -5.692 -3.753 1.00 53.14 H new ATOM 0 HA GLN A 67 9.781 -6.752 -6.129 1.00 41.51 H new ATOM 0 HB2 GLN A 67 11.943 -4.674 -5.555 1.00 61.24 H new ATOM 0 HB3 GLN A 67 11.517 -5.131 -7.192 1.00 61.24 H new ATOM 0 HG2 GLN A 67 9.095 -4.560 -6.635 1.00 41.21 H new ATOM 0 HG3 GLN A 67 9.655 -3.934 -5.097 1.00 41.21 H new ATOM 0 HE21 GLN A 67 8.320 -2.162 -6.533 1.00 33.14 H new ATOM 0 HE22 GLN A 67 9.387 -0.985 -7.307 1.00 33.14 H new ATOM 1057 N ALA A 68 12.135 -8.421 -5.229 1.00 21.20 N ATOM 1058 CA ALA A 68 13.096 -9.481 -5.481 1.00 63.32 C ATOM 1059 C ALA A 68 12.630 -10.831 -4.929 1.00 45.44 C ATOM 1060 O ALA A 68 12.858 -11.853 -5.583 1.00 31.24 O ATOM 1061 CB ALA A 68 14.435 -9.062 -4.882 1.00 71.12 C ATOM 0 H ALA A 68 11.759 -8.442 -4.281 1.00 21.20 H new ATOM 0 HA ALA A 68 13.198 -9.623 -6.557 1.00 63.32 H new ATOM 0 HB1 ALA A 68 15.173 -9.844 -5.059 1.00 71.12 H new ATOM 0 HB2 ALA A 68 14.768 -8.135 -5.349 1.00 71.12 H new ATOM 0 HB3 ALA A 68 14.321 -8.907 -3.809 1.00 71.12 H new ATOM 1067 N LEU A 69 11.981 -10.854 -3.762 1.00 74.35 N ATOM 1068 CA LEU A 69 11.336 -12.059 -3.236 1.00 5.32 C ATOM 1069 C LEU A 69 10.035 -12.365 -3.994 1.00 73.41 C ATOM 1070 O LEU A 69 9.717 -11.719 -4.996 1.00 52.24 O ATOM 1071 CB LEU A 69 11.162 -11.958 -1.705 1.00 62.35 C ATOM 1072 CG LEU A 69 10.215 -10.844 -1.218 1.00 10.30 C ATOM 1073 CD1 LEU A 69 8.839 -11.341 -0.781 1.00 10.34 C ATOM 1074 CD2 LEU A 69 10.809 -10.147 0.002 1.00 3.43 C ATOM 0 H LEU A 69 11.888 -10.039 -3.156 1.00 74.35 H new ATOM 0 HA LEU A 69 11.983 -12.919 -3.409 1.00 5.32 H new ATOM 0 HB2 LEU A 69 10.791 -12.914 -1.335 1.00 62.35 H new ATOM 0 HB3 LEU A 69 12.142 -11.800 -1.255 1.00 62.35 H new ATOM 0 HG LEU A 69 10.100 -10.184 -2.078 1.00 10.30 H new ATOM 0 HD11 LEU A 69 8.234 -10.496 -0.453 1.00 10.34 H new ATOM 0 HD12 LEU A 69 8.348 -11.835 -1.619 1.00 10.34 H new ATOM 0 HD13 LEU A 69 8.952 -12.047 0.041 1.00 10.34 H new ATOM 0 HD21 LEU A 69 10.132 -9.362 0.338 1.00 3.43 H new ATOM 0 HD22 LEU A 69 10.949 -10.873 0.803 1.00 3.43 H new ATOM 0 HD23 LEU A 69 11.771 -9.708 -0.262 1.00 3.43 H new ATOM 1086 N HIS A 70 9.311 -13.388 -3.526 1.00 53.34 N ATOM 1087 CA HIS A 70 8.011 -13.831 -4.032 1.00 65.44 C ATOM 1088 C HIS A 70 7.007 -12.671 -4.213 1.00 31.44 C ATOM 1089 O HIS A 70 7.139 -11.617 -3.587 1.00 30.12 O ATOM 1090 CB HIS A 70 7.432 -14.893 -3.071 1.00 61.12 C ATOM 1091 CG HIS A 70 7.633 -16.325 -3.512 1.00 21.04 C ATOM 1092 ND1 HIS A 70 6.637 -17.190 -3.923 1.00 54.52 N ATOM 1093 CD2 HIS A 70 8.822 -17.007 -3.559 1.00 2.24 C ATOM 1094 CE1 HIS A 70 7.207 -18.375 -4.185 1.00 63.41 C ATOM 1095 NE2 HIS A 70 8.539 -18.308 -4.002 1.00 14.50 N ATOM 0 H HIS A 70 9.634 -13.957 -2.744 1.00 53.34 H new ATOM 0 HA HIS A 70 8.170 -14.257 -5.022 1.00 65.44 H new ATOM 0 HB2 HIS A 70 7.889 -14.762 -2.090 1.00 61.12 H new ATOM 0 HB3 HIS A 70 6.364 -14.711 -2.952 1.00 61.12 H new ATOM 0 HD2 HIS A 70 9.795 -16.615 -3.303 1.00 2.24 H new ATOM 0 HE1 HIS A 70 6.672 -19.259 -4.499 1.00 63.41 H new ATOM 0 HE2 HIS A 70 9.213 -19.058 -4.156 1.00 14.50 H new ATOM 1103 N PRO A 71 5.950 -12.867 -5.018 1.00 41.22 N ATOM 1104 CA PRO A 71 4.926 -11.852 -5.222 1.00 12.32 C ATOM 1105 C PRO A 71 4.114 -11.543 -3.953 1.00 41.45 C ATOM 1106 O PRO A 71 4.179 -12.286 -2.965 1.00 44.21 O ATOM 1107 CB PRO A 71 4.020 -12.399 -6.324 1.00 42.51 C ATOM 1108 CG PRO A 71 4.225 -13.907 -6.250 1.00 3.24 C ATOM 1109 CD PRO A 71 5.688 -14.028 -5.853 1.00 4.52 C ATOM 0 HA PRO A 71 5.390 -10.904 -5.493 1.00 12.32 H new ATOM 0 HB2 PRO A 71 2.978 -12.129 -6.156 1.00 42.51 H new ATOM 0 HB3 PRO A 71 4.297 -12.005 -7.302 1.00 42.51 H new ATOM 0 HG2 PRO A 71 3.567 -14.369 -5.515 1.00 3.24 H new ATOM 0 HG3 PRO A 71 4.024 -14.390 -7.206 1.00 3.24 H new ATOM 0 HD2 PRO A 71 5.874 -14.955 -5.310 1.00 4.52 H new ATOM 0 HD3 PRO A 71 6.335 -14.037 -6.730 1.00 4.52 H new ATOM 1117 N PRO A 72 3.320 -10.458 -3.989 1.00 2.10 N ATOM 1118 CA PRO A 72 2.486 -10.041 -2.877 1.00 23.31 C ATOM 1119 C PRO A 72 1.277 -10.952 -2.668 1.00 24.43 C ATOM 1120 O PRO A 72 0.923 -11.792 -3.504 1.00 43.13 O ATOM 1121 CB PRO A 72 2.061 -8.601 -3.178 1.00 12.52 C ATOM 1122 CG PRO A 72 2.116 -8.540 -4.695 1.00 52.52 C ATOM 1123 CD PRO A 72 3.237 -9.491 -5.073 1.00 31.33 C ATOM 0 HA PRO A 72 3.044 -10.105 -1.943 1.00 23.31 H new ATOM 0 HB2 PRO A 72 1.061 -8.388 -2.801 1.00 12.52 H new ATOM 0 HB3 PRO A 72 2.735 -7.877 -2.720 1.00 12.52 H new ATOM 0 HG2 PRO A 72 1.169 -8.846 -5.139 1.00 52.52 H new ATOM 0 HG3 PRO A 72 2.319 -7.528 -5.044 1.00 52.52 H new ATOM 0 HD2 PRO A 72 3.027 -9.985 -6.022 1.00 31.33 H new ATOM 0 HD3 PRO A 72 4.179 -8.956 -5.193 1.00 31.33 H new ATOM 1131 N LEU A 73 0.657 -10.735 -1.507 1.00 30.34 N ATOM 1132 CA LEU A 73 -0.516 -11.418 -0.991 1.00 31.11 C ATOM 1133 C LEU A 73 -1.802 -10.785 -1.530 1.00 14.01 C ATOM 1134 O LEU A 73 -1.799 -9.814 -2.293 1.00 70.33 O ATOM 1135 CB LEU A 73 -0.442 -11.376 0.559 1.00 51.01 C ATOM 1136 CG LEU A 73 -0.366 -12.773 1.194 1.00 42.11 C ATOM 1137 CD1 LEU A 73 0.341 -12.753 2.550 1.00 24.24 C ATOM 1138 CD2 LEU A 73 -1.752 -13.379 1.386 1.00 72.32 C ATOM 0 H LEU A 73 0.992 -10.022 -0.859 1.00 30.34 H new ATOM 0 HA LEU A 73 -0.534 -12.456 -1.323 1.00 31.11 H new ATOM 0 HB2 LEU A 73 0.432 -10.798 0.860 1.00 51.01 H new ATOM 0 HB3 LEU A 73 -1.318 -10.854 0.945 1.00 51.01 H new ATOM 0 HG LEU A 73 0.210 -13.383 0.498 1.00 42.11 H new ATOM 0 HD11 LEU A 73 0.370 -13.763 2.960 1.00 24.24 H new ATOM 0 HD12 LEU A 73 1.358 -12.382 2.424 1.00 24.24 H new ATOM 0 HD13 LEU A 73 -0.201 -12.100 3.233 1.00 24.24 H new ATOM 0 HD21 LEU A 73 -1.658 -14.367 1.837 1.00 72.32 H new ATOM 0 HD22 LEU A 73 -2.343 -12.736 2.039 1.00 72.32 H new ATOM 0 HD23 LEU A 73 -2.247 -13.468 0.419 1.00 72.32 H new ATOM 1150 N THR A 74 -2.919 -11.343 -1.088 1.00 72.23 N ATOM 1151 CA THR A 74 -4.290 -10.948 -1.338 1.00 50.22 C ATOM 1152 C THR A 74 -5.035 -11.211 -0.024 1.00 74.13 C ATOM 1153 O THR A 74 -4.571 -11.986 0.810 1.00 71.52 O ATOM 1154 CB THR A 74 -4.870 -11.772 -2.508 1.00 11.12 C ATOM 1155 OG1 THR A 74 -6.282 -11.749 -2.522 1.00 62.51 O ATOM 1156 CG2 THR A 74 -4.445 -13.228 -2.472 1.00 62.35 C ATOM 0 H THR A 74 -2.879 -12.165 -0.486 1.00 72.23 H new ATOM 0 HA THR A 74 -4.381 -9.901 -1.629 1.00 50.22 H new ATOM 0 HB THR A 74 -4.471 -11.296 -3.404 1.00 11.12 H new ATOM 0 HG1 THR A 74 -6.619 -12.584 -2.909 1.00 62.51 H new ATOM 0 HG21 THR A 74 -4.884 -13.756 -3.319 1.00 62.35 H new ATOM 0 HG22 THR A 74 -3.358 -13.291 -2.528 1.00 62.35 H new ATOM 0 HG23 THR A 74 -4.787 -13.684 -1.543 1.00 62.35 H new ATOM 1164 N ILE A 75 -6.200 -10.583 0.158 1.00 54.32 N ATOM 1165 CA ILE A 75 -7.075 -10.825 1.295 1.00 2.32 C ATOM 1166 C ILE A 75 -8.541 -10.969 0.819 1.00 1.11 C ATOM 1167 O ILE A 75 -9.477 -10.946 1.614 1.00 13.15 O ATOM 1168 CB ILE A 75 -6.902 -9.620 2.255 1.00 53.42 C ATOM 1169 CG1 ILE A 75 -5.454 -9.093 2.449 1.00 24.13 C ATOM 1170 CG2 ILE A 75 -7.433 -9.949 3.657 1.00 32.43 C ATOM 1171 CD1 ILE A 75 -4.931 -8.013 1.497 1.00 34.25 C ATOM 0 H ILE A 75 -6.561 -9.885 -0.492 1.00 54.32 H new ATOM 0 HA ILE A 75 -6.820 -11.753 1.807 1.00 2.32 H new ATOM 0 HB ILE A 75 -7.471 -8.838 1.752 1.00 53.42 H new ATOM 0 HG12 ILE A 75 -5.377 -8.704 3.464 1.00 24.13 H new ATOM 0 HG13 ILE A 75 -4.780 -9.947 2.383 1.00 24.13 H new ATOM 0 HG21 ILE A 75 -7.299 -9.086 4.309 1.00 32.43 H new ATOM 0 HG22 ILE A 75 -8.493 -10.196 3.596 1.00 32.43 H new ATOM 0 HG23 ILE A 75 -6.885 -10.799 4.063 1.00 32.43 H new ATOM 0 HD11 ILE A 75 -3.907 -7.755 1.767 1.00 34.25 H new ATOM 0 HD12 ILE A 75 -4.954 -8.388 0.474 1.00 34.25 H new ATOM 0 HD13 ILE A 75 -5.560 -7.126 1.572 1.00 34.25 H new ATOM 1183 N ASP A 76 -8.767 -11.116 -0.488 1.00 70.32 N ATOM 1184 CA ASP A 76 -10.095 -10.951 -1.107 1.00 43.00 C ATOM 1185 C ASP A 76 -10.017 -11.317 -2.600 1.00 62.24 C ATOM 1186 O ASP A 76 -10.576 -10.627 -3.457 1.00 72.20 O ATOM 1187 CB ASP A 76 -10.579 -9.496 -0.881 1.00 70.41 C ATOM 1188 CG ASP A 76 -12.046 -9.309 -0.496 1.00 34.13 C ATOM 1189 OD1 ASP A 76 -12.926 -9.370 -1.373 1.00 64.14 O ATOM 1190 OD2 ASP A 76 -12.276 -8.765 0.611 1.00 14.43 O ATOM 0 H ASP A 76 -8.033 -11.354 -1.155 1.00 70.32 H new ATOM 0 HA ASP A 76 -10.822 -11.621 -0.647 1.00 43.00 H new ATOM 0 HB2 ASP A 76 -9.963 -9.051 -0.099 1.00 70.41 H new ATOM 0 HB3 ASP A 76 -10.393 -8.931 -1.794 1.00 70.41 H new ATOM 1195 N GLY A 77 -9.184 -12.304 -2.952 1.00 33.51 N ATOM 1196 CA GLY A 77 -8.942 -12.741 -4.331 1.00 44.13 C ATOM 1197 C GLY A 77 -8.333 -11.682 -5.261 1.00 31.15 C ATOM 1198 O GLY A 77 -8.307 -11.871 -6.479 1.00 2.31 O ATOM 0 H GLY A 77 -8.646 -12.834 -2.267 1.00 33.51 H new ATOM 0 HA2 GLY A 77 -8.278 -13.605 -4.309 1.00 44.13 H new ATOM 0 HA3 GLY A 77 -9.887 -13.076 -4.759 1.00 44.13 H new ATOM 1202 N LYS A 78 -7.805 -10.591 -4.701 1.00 63.23 N ATOM 1203 CA LYS A 78 -7.143 -9.490 -5.388 1.00 12.15 C ATOM 1204 C LYS A 78 -5.663 -9.469 -5.042 1.00 25.55 C ATOM 1205 O LYS A 78 -5.302 -8.998 -3.965 1.00 2.33 O ATOM 1206 CB LYS A 78 -7.839 -8.158 -5.078 1.00 22.23 C ATOM 1207 CG LYS A 78 -8.387 -7.913 -3.662 1.00 71.34 C ATOM 1208 CD LYS A 78 -7.429 -7.574 -2.510 1.00 72.12 C ATOM 1209 CE LYS A 78 -8.179 -7.167 -1.225 1.00 21.45 C ATOM 1210 NZ LYS A 78 -7.370 -6.457 -0.210 1.00 32.25 N ATOM 0 H LYS A 78 -7.833 -10.448 -3.691 1.00 63.23 H new ATOM 0 HA LYS A 78 -7.221 -9.641 -6.465 1.00 12.15 H new ATOM 0 HB2 LYS A 78 -7.132 -7.358 -5.300 1.00 22.23 H new ATOM 0 HB3 LYS A 78 -8.670 -8.051 -5.775 1.00 22.23 H new ATOM 0 HG2 LYS A 78 -9.109 -7.100 -3.731 1.00 71.34 H new ATOM 0 HG3 LYS A 78 -8.940 -8.806 -3.370 1.00 71.34 H new ATOM 0 HD2 LYS A 78 -6.796 -8.437 -2.301 1.00 72.12 H new ATOM 0 HD3 LYS A 78 -6.770 -6.762 -2.816 1.00 72.12 H new ATOM 0 HE2 LYS A 78 -9.020 -6.532 -1.503 1.00 21.45 H new ATOM 0 HE3 LYS A 78 -8.595 -8.065 -0.769 1.00 21.45 H new ATOM 0 HZ1 LYS A 78 -7.742 -6.666 0.739 1.00 32.25 H new ATOM 0 HZ2 LYS A 78 -6.381 -6.772 -0.272 1.00 32.25 H new ATOM 0 HZ3 LYS A 78 -7.418 -5.432 -0.382 1.00 32.25 H new ATOM 1224 N THR A 79 -4.795 -9.991 -5.908 1.00 41.02 N ATOM 1225 CA THR A 79 -3.364 -9.890 -5.660 1.00 63.51 C ATOM 1226 C THR A 79 -2.974 -8.411 -5.685 1.00 41.22 C ATOM 1227 O THR A 79 -3.161 -7.746 -6.708 1.00 2.33 O ATOM 1228 CB THR A 79 -2.538 -10.694 -6.672 1.00 14.22 C ATOM 1229 OG1 THR A 79 -3.185 -11.889 -7.098 1.00 5.20 O ATOM 1230 CG2 THR A 79 -1.181 -11.042 -6.058 1.00 2.12 C ATOM 0 H THR A 79 -5.052 -10.477 -6.767 1.00 41.02 H new ATOM 0 HA THR A 79 -3.145 -10.321 -4.683 1.00 63.51 H new ATOM 0 HB THR A 79 -2.416 -10.066 -7.554 1.00 14.22 H new ATOM 0 HG1 THR A 79 -2.614 -12.358 -7.742 1.00 5.20 H new ATOM 0 HG21 THR A 79 -0.593 -11.613 -6.776 1.00 2.12 H new ATOM 0 HG22 THR A 79 -0.651 -10.124 -5.803 1.00 2.12 H new ATOM 0 HG23 THR A 79 -1.331 -11.637 -5.157 1.00 2.12 H new ATOM 1238 N ILE A 80 -2.509 -7.869 -4.563 1.00 3.25 N ATOM 1239 CA ILE A 80 -2.153 -6.457 -4.493 1.00 61.40 C ATOM 1240 C ILE A 80 -1.000 -6.195 -5.483 1.00 12.34 C ATOM 1241 O ILE A 80 -0.261 -7.110 -5.855 1.00 32.25 O ATOM 1242 CB ILE A 80 -1.847 -6.086 -3.020 1.00 54.00 C ATOM 1243 CG1 ILE A 80 -3.006 -6.459 -2.060 1.00 52.43 C ATOM 1244 CG2 ILE A 80 -1.522 -4.595 -2.825 1.00 42.20 C ATOM 1245 CD1 ILE A 80 -4.317 -5.715 -2.320 1.00 13.03 C ATOM 0 H ILE A 80 -2.371 -8.384 -3.694 1.00 3.25 H new ATOM 0 HA ILE A 80 -2.971 -5.804 -4.797 1.00 61.40 H new ATOM 0 HB ILE A 80 -0.964 -6.675 -2.774 1.00 54.00 H new ATOM 0 HG12 ILE A 80 -3.191 -7.531 -2.135 1.00 52.43 H new ATOM 0 HG13 ILE A 80 -2.689 -6.262 -1.036 1.00 52.43 H new ATOM 0 HG21 ILE A 80 -1.317 -4.402 -1.772 1.00 42.20 H new ATOM 0 HG22 ILE A 80 -0.646 -4.333 -3.419 1.00 42.20 H new ATOM 0 HG23 ILE A 80 -2.372 -3.992 -3.146 1.00 42.20 H new ATOM 0 HD11 ILE A 80 -5.069 -6.040 -1.601 1.00 13.03 H new ATOM 0 HD12 ILE A 80 -4.154 -4.642 -2.214 1.00 13.03 H new ATOM 0 HD13 ILE A 80 -4.664 -5.931 -3.330 1.00 13.03 H new ATOM 1257 N ASN A 81 -0.833 -4.945 -5.913 1.00 12.42 N ATOM 1258 CA ASN A 81 0.343 -4.498 -6.654 1.00 22.41 C ATOM 1259 C ASN A 81 1.090 -3.453 -5.849 1.00 52.33 C ATOM 1260 O ASN A 81 0.507 -2.859 -4.942 1.00 11.31 O ATOM 1261 CB ASN A 81 -0.031 -3.959 -8.042 1.00 13.52 C ATOM 1262 CG ASN A 81 0.470 -4.932 -9.098 1.00 51.50 C ATOM 1263 OD1 ASN A 81 1.674 -5.113 -9.219 1.00 22.34 O ATOM 1264 ND2 ASN A 81 -0.395 -5.598 -9.842 1.00 52.22 N ATOM 0 H ASN A 81 -1.519 -4.207 -5.754 1.00 12.42 H new ATOM 0 HA ASN A 81 0.994 -5.358 -6.811 1.00 22.41 H new ATOM 0 HB2 ASN A 81 -1.111 -3.839 -8.122 1.00 13.52 H new ATOM 0 HB3 ASN A 81 0.411 -2.975 -8.196 1.00 13.52 H new ATOM 0 HD21 ASN A 81 -0.062 -6.274 -10.529 1.00 52.22 H new ATOM 0 HD22 ASN A 81 -1.396 -5.436 -9.729 1.00 52.22 H new ATOM 1271 N VAL A 82 2.347 -3.208 -6.215 1.00 21.45 N ATOM 1272 CA VAL A 82 3.270 -2.304 -5.539 1.00 71.42 C ATOM 1273 C VAL A 82 3.757 -1.309 -6.589 1.00 32.12 C ATOM 1274 O VAL A 82 3.974 -1.692 -7.739 1.00 3.54 O ATOM 1275 CB VAL A 82 4.448 -3.103 -4.935 1.00 64.34 C ATOM 1276 CG1 VAL A 82 5.358 -2.231 -4.061 1.00 70.24 C ATOM 1277 CG2 VAL A 82 3.983 -4.299 -4.082 1.00 1.51 C ATOM 0 H VAL A 82 2.767 -3.656 -7.029 1.00 21.45 H new ATOM 0 HA VAL A 82 2.785 -1.779 -4.716 1.00 71.42 H new ATOM 0 HB VAL A 82 5.003 -3.468 -5.799 1.00 64.34 H new ATOM 0 HG11 VAL A 82 6.169 -2.839 -3.661 1.00 70.24 H new ATOM 0 HG12 VAL A 82 5.773 -1.422 -4.662 1.00 70.24 H new ATOM 0 HG13 VAL A 82 4.779 -1.811 -3.238 1.00 70.24 H new ATOM 0 HG21 VAL A 82 4.853 -4.822 -3.684 1.00 1.51 H new ATOM 0 HG22 VAL A 82 3.367 -3.940 -3.257 1.00 1.51 H new ATOM 0 HG23 VAL A 82 3.400 -4.982 -4.700 1.00 1.51 H new ATOM 1287 N GLU A 83 3.957 -0.056 -6.208 1.00 1.41 N ATOM 1288 CA GLU A 83 4.463 1.015 -7.043 1.00 63.20 C ATOM 1289 C GLU A 83 5.384 1.896 -6.209 1.00 21.03 C ATOM 1290 O GLU A 83 5.385 1.838 -4.980 1.00 13.32 O ATOM 1291 CB GLU A 83 3.281 1.842 -7.574 1.00 61.13 C ATOM 1292 CG GLU A 83 2.835 1.486 -8.994 1.00 4.54 C ATOM 1293 CD GLU A 83 3.754 2.113 -10.048 1.00 73.31 C ATOM 1294 OE1 GLU A 83 3.280 2.398 -11.169 1.00 42.10 O ATOM 1295 OE2 GLU A 83 4.916 2.452 -9.734 1.00 71.42 O ATOM 0 H GLU A 83 3.759 0.254 -5.257 1.00 1.41 H new ATOM 0 HA GLU A 83 5.019 0.606 -7.886 1.00 63.20 H new ATOM 0 HB2 GLU A 83 2.434 1.714 -6.900 1.00 61.13 H new ATOM 0 HB3 GLU A 83 3.553 2.897 -7.548 1.00 61.13 H new ATOM 0 HG2 GLU A 83 2.830 0.403 -9.113 1.00 4.54 H new ATOM 0 HG3 GLU A 83 1.812 1.829 -9.152 1.00 4.54 H new ATOM 1302 N PHE A 84 6.131 2.757 -6.885 1.00 4.52 N ATOM 1303 CA PHE A 84 7.157 3.601 -6.282 1.00 43.14 C ATOM 1304 C PHE A 84 7.240 4.935 -7.016 1.00 41.44 C ATOM 1305 O PHE A 84 7.853 5.015 -8.084 1.00 24.44 O ATOM 1306 CB PHE A 84 8.493 2.846 -6.318 1.00 12.55 C ATOM 1307 CG PHE A 84 9.651 3.482 -5.565 1.00 72.22 C ATOM 1308 CD1 PHE A 84 9.508 3.853 -4.211 1.00 12.11 C ATOM 1309 CD2 PHE A 84 10.920 3.556 -6.175 1.00 3.54 C ATOM 1310 CE1 PHE A 84 10.626 4.283 -3.473 1.00 0.41 C ATOM 1311 CE2 PHE A 84 12.038 3.983 -5.436 1.00 31.43 C ATOM 1312 CZ PHE A 84 11.891 4.341 -4.085 1.00 23.24 C ATOM 0 H PHE A 84 6.040 2.893 -7.892 1.00 4.52 H new ATOM 0 HA PHE A 84 6.907 3.822 -5.244 1.00 43.14 H new ATOM 0 HB2 PHE A 84 8.331 1.846 -5.914 1.00 12.55 H new ATOM 0 HB3 PHE A 84 8.789 2.725 -7.360 1.00 12.55 H new ATOM 0 HD1 PHE A 84 8.537 3.807 -3.740 1.00 12.11 H new ATOM 0 HD2 PHE A 84 11.034 3.284 -7.214 1.00 3.54 H new ATOM 0 HE1 PHE A 84 10.513 4.568 -2.438 1.00 0.41 H new ATOM 0 HE2 PHE A 84 13.009 4.036 -5.906 1.00 31.43 H new ATOM 0 HZ PHE A 84 12.751 4.661 -3.516 1.00 23.24 H new ATOM 1322 N ALA A 85 6.617 5.982 -6.469 1.00 41.21 N ATOM 1323 CA ALA A 85 6.711 7.341 -6.996 1.00 52.13 C ATOM 1324 C ALA A 85 7.684 8.104 -6.107 1.00 40.21 C ATOM 1325 O ALA A 85 7.297 8.827 -5.181 1.00 41.22 O ATOM 1326 CB ALA A 85 5.332 7.995 -7.096 1.00 33.35 C ATOM 0 H ALA A 85 6.028 5.907 -5.640 1.00 41.21 H new ATOM 0 HA ALA A 85 7.091 7.343 -8.018 1.00 52.13 H new ATOM 0 HB1 ALA A 85 5.436 9.005 -7.491 1.00 33.35 H new ATOM 0 HB2 ALA A 85 4.699 7.408 -7.761 1.00 33.35 H new ATOM 0 HB3 ALA A 85 4.877 8.038 -6.106 1.00 33.35 H new ATOM 1332 N LYS A 86 8.970 7.861 -6.343 1.00 20.05 N ATOM 1333 CA LYS A 86 10.064 8.421 -5.575 1.00 14.22 C ATOM 1334 C LYS A 86 10.419 9.771 -6.180 1.00 13.52 C ATOM 1335 O LYS A 86 11.194 9.832 -7.133 1.00 64.20 O ATOM 1336 CB LYS A 86 11.233 7.429 -5.616 1.00 4.43 C ATOM 1337 CG LYS A 86 12.323 7.634 -4.553 1.00 55.33 C ATOM 1338 CD LYS A 86 12.810 9.062 -4.286 1.00 3.13 C ATOM 1339 CE LYS A 86 14.128 8.944 -3.512 1.00 53.23 C ATOM 1340 NZ LYS A 86 14.469 10.189 -2.809 1.00 71.10 N ATOM 0 H LYS A 86 9.283 7.250 -7.098 1.00 20.05 H new ATOM 0 HA LYS A 86 9.800 8.581 -4.530 1.00 14.22 H new ATOM 0 HB2 LYS A 86 10.833 6.421 -5.509 1.00 4.43 H new ATOM 0 HB3 LYS A 86 11.697 7.485 -6.601 1.00 4.43 H new ATOM 0 HG2 LYS A 86 11.952 7.227 -3.612 1.00 55.33 H new ATOM 0 HG3 LYS A 86 13.187 7.035 -4.841 1.00 55.33 H new ATOM 0 HD2 LYS A 86 12.958 9.601 -5.222 1.00 3.13 H new ATOM 0 HD3 LYS A 86 12.072 9.621 -3.710 1.00 3.13 H new ATOM 0 HE2 LYS A 86 14.053 8.130 -2.791 1.00 53.23 H new ATOM 0 HE3 LYS A 86 14.931 8.686 -4.202 1.00 53.23 H new ATOM 0 HZ1 LYS A 86 15.451 10.139 -2.471 1.00 71.10 H new ATOM 0 HZ2 LYS A 86 14.368 10.994 -3.460 1.00 71.10 H new ATOM 0 HZ3 LYS A 86 13.830 10.316 -1.999 1.00 71.10 H new ATOM 1354 N GLY A 87 9.886 10.846 -5.600 1.00 52.21 N ATOM 1355 CA GLY A 87 10.380 12.197 -5.828 1.00 42.51 C ATOM 1356 C GLY A 87 11.887 12.244 -5.589 1.00 31.15 C ATOM 1357 O GLY A 87 12.335 12.148 -4.442 1.00 20.23 O ATOM 0 H GLY A 87 9.096 10.800 -4.956 1.00 52.21 H new ATOM 0 HA2 GLY A 87 10.154 12.509 -6.848 1.00 42.51 H new ATOM 0 HA3 GLY A 87 9.875 12.896 -5.161 1.00 42.51 H new ATOM 1361 N SER A 88 12.656 12.305 -6.674 1.00 11.43 N ATOM 1362 CA SER A 88 14.041 12.730 -6.701 1.00 22.11 C ATOM 1363 C SER A 88 13.990 14.203 -7.082 1.00 42.22 C ATOM 1364 O SER A 88 13.293 14.547 -8.065 1.00 54.20 O ATOM 1365 CB SER A 88 14.831 11.901 -7.710 1.00 42.14 C ATOM 1366 OG SER A 88 15.470 10.790 -7.097 1.00 62.40 O ATOM 0 H SER A 88 12.308 12.046 -7.597 1.00 11.43 H new ATOM 0 HA SER A 88 14.546 12.590 -5.745 1.00 22.11 H new ATOM 0 HB2 SER A 88 14.161 11.548 -8.494 1.00 42.14 H new ATOM 0 HB3 SER A 88 15.580 12.531 -8.191 1.00 42.14 H new ATOM 0 HG SER A 88 15.964 10.282 -7.774 1.00 62.40 H new TER 1372 SER A 88