USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1236 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 72 GLN : amide:sc= -0.28 K(o=-1.1,f=-3.8) USER MOD Set 1.2: A 133 MET CE :methyl 166:sc= -0.866 (180deg=-1.3) USER MOD Set 2.1: A 110 ASN : amide:sc= 1.6 K(o=2.1,f=-0.4) USER MOD Set 2.2: A 144 GLN : amide:sc= 0.475 K(o=2.1,f=1.2) USER MOD Set 3.1: A 90 GLN :FLIP amide:sc= 0.884 X(o=1.3,f=1.7) USER MOD Set 3.2: A 100 GLN : amide:sc= 0.775 X(o=1.7,f=1.3) USER MOD Set 4.1: A 42 MET CE :methyl 168:sc= 0 (180deg=-0.18) USER MOD Set 4.2: A 147 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.4!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -11:sc= 0.904 USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.0388 (180deg=-0.275) USER MOD Single : A 31 SER OG : rot 140:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00718 USER MOD Single : A 46 SER OG : rot 180:sc= -1.26 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00127 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 55:sc= 0.0552 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 75 SER OG : rot 81:sc= -0.0104 USER MOD Single : A 76 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.42) USER MOD Single : A 77 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.51) USER MOD Single : A 79 MET CE :methyl 166:sc= -0.0344 (180deg=-0.325) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= -0.186 F(o=-1,f=-0.19) USER MOD Single : A 86 GLN : amide:sc= 0.0478 X(o=0.048,f=-0.067) USER MOD Single : A 87 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.4) USER MOD Single : A 88 SER OG : rot 28:sc= 0.0779 USER MOD Single : A 94 HIS : no HE2:sc= 0.575 K(o=0.62,f=-5.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.15) USER MOD Single : A 111 GLN : amide:sc= 1.21 K(o=1.2,f=-0.86) USER MOD Single : A 113 GLN : amide:sc= -0.361 K(o=-0.36,f=-4.5!) USER MOD Single : A 115 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.19) USER MOD Single : A 116 MET CE :methyl -170:sc= -1.09 (180deg=-1.6) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.0227 F(o=-0.58,f=-0.023) USER MOD Single : A 121 SER OG : rot -113:sc= 0.192 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot -70:sc= -0.105 USER MOD Single : A 137 GLN : amide:sc= -2.77! C(o=-2.8!,f=-11!) USER MOD Single : A 141 SER OG : rot -25:sc= 0.0489 USER MOD Single : A 148 SER OG : rot 170:sc= 0 USER MOD Single : A 149 SER OG : rot 120:sc=-0.00154 USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 130:sc= -0.0358 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 158 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1.1) USER MOD Single : A 159 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 162 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 163 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 164 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 165 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 SER OG : rot -15:sc= 0.916 USER MOD Single : A 168 SER OG : rot 52:sc= 0.0749 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 73.959 -74.092 -35.479 1.00 12.33 N ATOM 2 CA HIS A 1 73.065 -72.959 -35.790 1.00 14.40 C ATOM 3 C HIS A 1 71.998 -72.800 -34.724 1.00 70.52 C ATOM 4 O HIS A 1 71.002 -73.522 -34.713 1.00 42.33 O ATOM 5 CB HIS A 1 72.402 -73.134 -37.164 1.00 63.14 C ATOM 6 CG HIS A 1 73.329 -72.940 -38.325 1.00 33.53 C ATOM 7 ND1 HIS A 1 73.633 -73.940 -39.223 1.00 64.14 N ATOM 8 CD2 HIS A 1 74.003 -71.843 -38.750 1.00 72.43 C ATOM 9 CE1 HIS A 1 74.450 -73.470 -40.143 1.00 20.31 C ATOM 10 NE2 HIS A 1 74.690 -72.201 -39.880 1.00 21.23 N ATOM 0 H1 HIS A 1 74.680 -74.180 -36.223 1.00 12.33 H new ATOM 0 H2 HIS A 1 74.424 -73.926 -34.564 1.00 12.33 H new ATOM 0 H3 HIS A 1 73.403 -74.970 -35.430 1.00 12.33 H new ATOM 0 HA HIS A 1 73.679 -72.059 -35.812 1.00 14.40 H new ATOM 0 HB2 HIS A 1 71.971 -74.133 -37.222 1.00 63.14 H new ATOM 0 HB3 HIS A 1 71.578 -72.426 -37.250 1.00 63.14 H new ATOM 0 HD2 HIS A 1 73.999 -70.868 -38.284 1.00 72.43 H new ATOM 0 HE1 HIS A 1 74.855 -74.030 -40.973 1.00 20.31 H new ATOM 0 HE2 HIS A 1 75.290 -71.585 -40.429 1.00 21.23 H new ATOM 21 N MET A 2 72.225 -71.870 -33.820 1.00 2.43 N ATOM 22 CA MET A 2 71.279 -71.551 -32.764 1.00 52.41 C ATOM 23 C MET A 2 71.167 -70.051 -32.642 1.00 44.10 C ATOM 24 O MET A 2 72.049 -69.324 -33.110 1.00 31.42 O ATOM 25 CB MET A 2 71.719 -72.158 -31.425 1.00 5.11 C ATOM 26 CG MET A 2 71.547 -73.665 -31.342 1.00 51.42 C ATOM 27 SD MET A 2 69.823 -74.174 -31.504 1.00 73.11 S ATOM 28 CE MET A 2 69.980 -75.956 -31.406 1.00 2.22 C ATOM 0 H MET A 2 73.076 -71.309 -33.795 1.00 2.43 H new ATOM 0 HA MET A 2 70.309 -71.977 -33.019 1.00 52.41 H new ATOM 0 HB2 MET A 2 72.767 -71.913 -31.254 1.00 5.11 H new ATOM 0 HB3 MET A 2 71.147 -71.693 -30.622 1.00 5.11 H new ATOM 0 HG2 MET A 2 72.137 -74.139 -32.126 1.00 51.42 H new ATOM 0 HG3 MET A 2 71.939 -74.020 -30.389 1.00 51.42 H new ATOM 0 HE1 MET A 2 68.994 -76.413 -31.491 1.00 2.22 H new ATOM 0 HE2 MET A 2 70.616 -76.310 -32.217 1.00 2.22 H new ATOM 0 HE3 MET A 2 70.426 -76.230 -30.450 1.00 2.22 H new ATOM 38 N ALA A 3 70.115 -69.578 -32.001 1.00 43.23 N ATOM 39 CA ALA A 3 69.894 -68.150 -31.864 1.00 43.22 C ATOM 40 C ALA A 3 68.804 -67.873 -30.857 1.00 51.35 C ATOM 41 O ALA A 3 67.889 -68.677 -30.680 1.00 11.04 O ATOM 42 CB ALA A 3 69.523 -67.540 -33.212 1.00 33.34 C ATOM 0 H ALA A 3 69.400 -70.161 -31.567 1.00 43.23 H new ATOM 0 HA ALA A 3 70.819 -67.694 -31.510 1.00 43.22 H new ATOM 0 HB1 ALA A 3 69.360 -66.469 -33.094 1.00 33.34 H new ATOM 0 HB2 ALA A 3 70.332 -67.708 -33.923 1.00 33.34 H new ATOM 0 HB3 ALA A 3 68.611 -68.007 -33.584 1.00 33.34 H new ATOM 48 N SER A 4 68.911 -66.741 -30.194 1.00 74.34 N ATOM 49 CA SER A 4 67.940 -66.335 -29.205 1.00 12.52 C ATOM 50 C SER A 4 66.658 -65.872 -29.883 1.00 44.55 C ATOM 51 O SER A 4 66.612 -64.789 -30.486 1.00 34.14 O ATOM 52 CB SER A 4 68.518 -65.217 -28.340 1.00 55.22 C ATOM 53 OG SER A 4 69.768 -65.605 -27.783 1.00 24.44 O ATOM 0 H SER A 4 69.674 -66.078 -30.327 1.00 74.34 H new ATOM 0 HA SER A 4 67.704 -67.188 -28.568 1.00 12.52 H new ATOM 0 HB2 SER A 4 68.646 -64.316 -28.940 1.00 55.22 H new ATOM 0 HB3 SER A 4 67.819 -64.971 -27.541 1.00 55.22 H new ATOM 0 HG SER A 4 70.122 -64.875 -27.234 1.00 24.44 H new ATOM 59 N ASP A 5 65.633 -66.702 -29.815 1.00 43.33 N ATOM 60 CA ASP A 5 64.357 -66.376 -30.423 1.00 74.14 C ATOM 61 C ASP A 5 63.557 -65.466 -29.504 1.00 4.15 C ATOM 62 O ASP A 5 63.171 -64.363 -29.898 1.00 52.12 O ATOM 63 CB ASP A 5 63.569 -67.646 -30.743 1.00 2.30 C ATOM 64 CG ASP A 5 62.364 -67.373 -31.618 1.00 71.41 C ATOM 65 OD1 ASP A 5 62.553 -67.042 -32.810 1.00 74.44 O ATOM 66 OD2 ASP A 5 61.221 -67.487 -31.129 1.00 72.24 O ATOM 0 H ASP A 5 65.660 -67.607 -29.345 1.00 43.33 H new ATOM 0 HA ASP A 5 64.543 -65.850 -31.359 1.00 74.14 H new ATOM 0 HB2 ASP A 5 64.223 -68.360 -31.243 1.00 2.30 H new ATOM 0 HB3 ASP A 5 63.241 -68.111 -29.813 1.00 2.30 H new ATOM 71 N ASP A 6 63.328 -65.934 -28.268 1.00 5.24 N ATOM 72 CA ASP A 6 62.609 -65.159 -27.239 1.00 74.23 C ATOM 73 C ASP A 6 61.178 -64.812 -27.662 1.00 11.11 C ATOM 74 O ASP A 6 60.698 -65.252 -28.710 1.00 71.12 O ATOM 75 CB ASP A 6 63.376 -63.875 -26.886 1.00 73.11 C ATOM 76 CG ASP A 6 64.586 -64.123 -26.006 1.00 13.00 C ATOM 77 OD1 ASP A 6 65.654 -64.507 -26.537 1.00 63.12 O ATOM 78 OD2 ASP A 6 64.482 -63.911 -24.780 1.00 12.22 O ATOM 0 H ASP A 6 63.633 -66.855 -27.952 1.00 5.24 H new ATOM 0 HA ASP A 6 62.547 -65.796 -26.356 1.00 74.23 H new ATOM 0 HB2 ASP A 6 63.698 -63.388 -27.806 1.00 73.11 H new ATOM 0 HB3 ASP A 6 62.702 -63.185 -26.379 1.00 73.11 H new ATOM 83 N ARG A 7 60.494 -64.043 -26.827 1.00 33.21 N ATOM 84 CA ARG A 7 59.139 -63.605 -27.118 1.00 22.12 C ATOM 85 C ARG A 7 58.799 -62.396 -26.258 1.00 72.42 C ATOM 86 O ARG A 7 58.250 -62.532 -25.162 1.00 0.43 O ATOM 87 CB ARG A 7 58.123 -64.742 -26.873 1.00 13.23 C ATOM 88 CG ARG A 7 56.848 -64.661 -27.728 1.00 31.05 C ATOM 89 CD ARG A 7 56.041 -63.393 -27.467 1.00 3.43 C ATOM 90 NE ARG A 7 54.797 -63.362 -28.242 1.00 13.42 N ATOM 91 CZ ARG A 7 54.112 -62.252 -28.539 1.00 13.24 C ATOM 92 NH1 ARG A 7 54.571 -61.057 -28.177 1.00 14.02 N ATOM 93 NH2 ARG A 7 52.975 -62.338 -29.213 1.00 73.12 N ATOM 0 H ARG A 7 60.860 -63.708 -25.936 1.00 33.21 H new ATOM 0 HA ARG A 7 59.081 -63.328 -28.171 1.00 22.12 H new ATOM 0 HB2 ARG A 7 58.613 -65.696 -27.066 1.00 13.23 H new ATOM 0 HB3 ARG A 7 57.839 -64.736 -25.821 1.00 13.23 H new ATOM 0 HG2 ARG A 7 57.120 -64.702 -28.783 1.00 31.05 H new ATOM 0 HG3 ARG A 7 56.224 -65.531 -27.525 1.00 31.05 H new ATOM 0 HD2 ARG A 7 55.808 -63.325 -26.404 1.00 3.43 H new ATOM 0 HD3 ARG A 7 56.645 -62.521 -27.717 1.00 3.43 H new ATOM 0 HE ARG A 7 54.427 -64.251 -28.579 1.00 13.42 H new ATOM 0 HH11 ARG A 7 55.452 -60.982 -27.669 1.00 14.02 H new ATOM 0 HH12 ARG A 7 54.042 -60.216 -28.408 1.00 14.02 H new ATOM 0 HH21 ARG A 7 52.623 -63.250 -29.505 1.00 73.12 H new ATOM 0 HH22 ARG A 7 52.452 -61.493 -29.440 1.00 73.12 H new ATOM 107 N ALA A 8 59.160 -61.229 -26.739 1.00 31.41 N ATOM 108 CA ALA A 8 58.892 -59.997 -26.034 1.00 33.34 C ATOM 109 C ALA A 8 57.428 -59.616 -26.165 1.00 63.02 C ATOM 110 O ALA A 8 56.819 -59.803 -27.222 1.00 62.12 O ATOM 111 CB ALA A 8 59.783 -58.884 -26.557 1.00 2.32 C ATOM 0 H ALA A 8 59.646 -61.107 -27.627 1.00 31.41 H new ATOM 0 HA ALA A 8 59.113 -60.148 -24.977 1.00 33.34 H new ATOM 0 HB1 ALA A 8 59.569 -57.962 -26.016 1.00 2.32 H new ATOM 0 HB2 ALA A 8 60.828 -59.156 -26.411 1.00 2.32 H new ATOM 0 HB3 ALA A 8 59.592 -58.734 -27.620 1.00 2.32 H new ATOM 117 N THR A 9 56.860 -59.114 -25.093 1.00 14.41 N ATOM 118 CA THR A 9 55.484 -58.679 -25.087 1.00 43.42 C ATOM 119 C THR A 9 55.279 -57.598 -24.031 1.00 22.14 C ATOM 120 O THR A 9 55.773 -57.713 -22.906 1.00 74.33 O ATOM 121 CB THR A 9 54.504 -59.864 -24.844 1.00 3.03 C ATOM 122 OG1 THR A 9 53.157 -59.387 -24.736 1.00 44.35 O ATOM 123 CG2 THR A 9 54.874 -60.638 -23.586 1.00 43.51 C ATOM 0 H THR A 9 57.340 -58.996 -24.201 1.00 14.41 H new ATOM 0 HA THR A 9 55.263 -58.267 -26.071 1.00 43.42 H new ATOM 0 HB THR A 9 54.581 -60.536 -25.699 1.00 3.03 H new ATOM 0 HG1 THR A 9 52.553 -60.144 -24.585 1.00 44.35 H new ATOM 0 HG21 THR A 9 54.171 -61.459 -23.444 1.00 43.51 H new ATOM 0 HG22 THR A 9 55.883 -61.038 -23.688 1.00 43.51 H new ATOM 0 HG23 THR A 9 54.833 -59.972 -22.724 1.00 43.51 H new ATOM 131 N GLY A 10 54.584 -56.544 -24.406 1.00 5.54 N ATOM 132 CA GLY A 10 54.327 -55.462 -23.487 1.00 43.14 C ATOM 133 C GLY A 10 53.060 -54.710 -23.837 1.00 20.41 C ATOM 134 O GLY A 10 53.121 -53.593 -24.352 1.00 1.12 O ATOM 0 H GLY A 10 54.190 -56.416 -25.338 1.00 5.54 H new ATOM 0 HA2 GLY A 10 54.246 -55.858 -22.475 1.00 43.14 H new ATOM 0 HA3 GLY A 10 55.171 -54.773 -23.493 1.00 43.14 H new ATOM 138 N PRO A 11 51.886 -55.305 -23.581 1.00 70.40 N ATOM 139 CA PRO A 11 50.599 -54.677 -23.867 1.00 62.11 C ATOM 140 C PRO A 11 50.255 -53.597 -22.846 1.00 72.14 C ATOM 141 O PRO A 11 51.071 -53.253 -21.985 1.00 53.50 O ATOM 142 CB PRO A 11 49.590 -55.841 -23.774 1.00 32.35 C ATOM 143 CG PRO A 11 50.410 -57.078 -23.565 1.00 50.12 C ATOM 144 CD PRO A 11 51.715 -56.630 -22.990 1.00 62.32 C ATOM 0 HA PRO A 11 50.597 -54.178 -24.836 1.00 62.11 H new ATOM 0 HB2 PRO A 11 48.894 -55.690 -22.949 1.00 32.35 H new ATOM 0 HB3 PRO A 11 48.995 -55.916 -24.684 1.00 32.35 H new ATOM 0 HG2 PRO A 11 49.905 -57.769 -22.889 1.00 50.12 H new ATOM 0 HG3 PRO A 11 50.562 -57.606 -24.506 1.00 50.12 H new ATOM 0 HD2 PRO A 11 51.685 -56.587 -21.901 1.00 62.32 H new ATOM 0 HD3 PRO A 11 52.529 -57.302 -23.260 1.00 62.32 H new ATOM 152 N ALA A 12 49.049 -53.075 -22.937 1.00 31.05 N ATOM 153 CA ALA A 12 48.602 -52.033 -22.040 1.00 14.33 C ATOM 154 C ALA A 12 47.097 -51.906 -22.085 1.00 73.21 C ATOM 155 O ALA A 12 46.457 -52.370 -23.032 1.00 24.30 O ATOM 156 CB ALA A 12 49.245 -50.707 -22.414 1.00 4.44 C ATOM 0 H ALA A 12 48.357 -53.359 -23.630 1.00 31.05 H new ATOM 0 HA ALA A 12 48.901 -52.299 -21.026 1.00 14.33 H new ATOM 0 HB1 ALA A 12 48.901 -49.930 -21.731 1.00 4.44 H new ATOM 0 HB2 ALA A 12 50.329 -50.796 -22.345 1.00 4.44 H new ATOM 0 HB3 ALA A 12 48.967 -50.443 -23.434 1.00 4.44 H new ATOM 162 N LEU A 13 46.543 -51.268 -21.079 1.00 15.51 N ATOM 163 CA LEU A 13 45.111 -51.061 -20.975 1.00 32.34 C ATOM 164 C LEU A 13 44.855 -49.713 -20.344 1.00 24.34 C ATOM 165 O LEU A 13 45.579 -49.300 -19.436 1.00 23.41 O ATOM 166 CB LEU A 13 44.457 -52.156 -20.115 1.00 72.15 C ATOM 167 CG LEU A 13 44.534 -53.590 -20.651 1.00 12.13 C ATOM 168 CD1 LEU A 13 43.940 -54.560 -19.645 1.00 75.32 C ATOM 169 CD2 LEU A 13 43.810 -53.703 -21.982 1.00 50.51 C ATOM 0 H LEU A 13 47.075 -50.874 -20.303 1.00 15.51 H new ATOM 0 HA LEU A 13 44.678 -51.103 -21.974 1.00 32.34 H new ATOM 0 HB2 LEU A 13 44.920 -52.136 -19.129 1.00 72.15 H new ATOM 0 HB3 LEU A 13 43.406 -51.900 -19.979 1.00 72.15 H new ATOM 0 HG LEU A 13 45.583 -53.844 -20.807 1.00 12.13 H new ATOM 0 HD11 LEU A 13 44.001 -55.575 -20.038 1.00 75.32 H new ATOM 0 HD12 LEU A 13 44.496 -54.499 -18.709 1.00 75.32 H new ATOM 0 HD13 LEU A 13 42.896 -54.303 -19.464 1.00 75.32 H new ATOM 0 HD21 LEU A 13 43.876 -54.728 -22.346 1.00 50.51 H new ATOM 0 HD22 LEU A 13 42.763 -53.431 -21.851 1.00 50.51 H new ATOM 0 HD23 LEU A 13 44.271 -53.031 -22.705 1.00 50.51 H new ATOM 181 N THR A 14 43.846 -49.029 -20.821 1.00 3.22 N ATOM 182 CA THR A 14 43.525 -47.715 -20.318 1.00 12.52 C ATOM 183 C THR A 14 42.629 -47.794 -19.087 1.00 73.41 C ATOM 184 O THR A 14 41.536 -48.363 -19.139 1.00 75.11 O ATOM 185 CB THR A 14 42.848 -46.833 -21.408 1.00 65.34 C ATOM 186 OG1 THR A 14 42.338 -45.624 -20.824 1.00 61.10 O ATOM 187 CG2 THR A 14 41.716 -47.577 -22.110 1.00 73.30 C ATOM 0 H THR A 14 43.229 -49.362 -21.562 1.00 3.22 H new ATOM 0 HA THR A 14 44.468 -47.248 -20.034 1.00 12.52 H new ATOM 0 HB THR A 14 43.608 -46.589 -22.150 1.00 65.34 H new ATOM 0 HG1 THR A 14 41.916 -45.077 -21.519 1.00 61.10 H new ATOM 0 HG21 THR A 14 41.268 -46.930 -22.864 1.00 73.30 H new ATOM 0 HG22 THR A 14 42.111 -48.472 -22.589 1.00 73.30 H new ATOM 0 HG23 THR A 14 40.959 -47.861 -21.379 1.00 73.30 H new ATOM 195 N PRO A 15 43.094 -47.249 -17.949 1.00 52.44 N ATOM 196 CA PRO A 15 42.289 -47.182 -16.732 1.00 23.33 C ATOM 197 C PRO A 15 41.052 -46.332 -16.978 1.00 33.15 C ATOM 198 O PRO A 15 41.151 -45.246 -17.560 1.00 32.45 O ATOM 199 CB PRO A 15 43.216 -46.493 -15.718 1.00 35.53 C ATOM 200 CG PRO A 15 44.588 -46.662 -16.270 1.00 63.31 C ATOM 201 CD PRO A 15 44.433 -46.667 -17.760 1.00 11.20 C ATOM 0 HA PRO A 15 41.943 -48.158 -16.392 1.00 23.33 H new ATOM 0 HB2 PRO A 15 42.963 -45.439 -15.606 1.00 35.53 H new ATOM 0 HB3 PRO A 15 43.129 -46.948 -14.731 1.00 35.53 H new ATOM 0 HG2 PRO A 15 45.241 -45.851 -15.948 1.00 63.31 H new ATOM 0 HG3 PRO A 15 45.038 -47.591 -15.921 1.00 63.31 H new ATOM 0 HD2 PRO A 15 44.499 -45.662 -18.176 1.00 11.20 H new ATOM 0 HD3 PRO A 15 45.205 -47.264 -18.245 1.00 11.20 H new ATOM 209 N LEU A 16 39.900 -46.806 -16.540 1.00 34.21 N ATOM 210 CA LEU A 16 38.649 -46.107 -16.797 1.00 12.35 C ATOM 211 C LEU A 16 37.666 -46.322 -15.667 1.00 61.40 C ATOM 212 O LEU A 16 37.250 -47.449 -15.392 1.00 52.24 O ATOM 213 CB LEU A 16 38.018 -46.594 -18.114 1.00 52.30 C ATOM 214 CG LEU A 16 38.784 -46.269 -19.401 1.00 71.10 C ATOM 215 CD1 LEU A 16 38.148 -46.971 -20.587 1.00 44.51 C ATOM 216 CD2 LEU A 16 38.823 -44.766 -19.636 1.00 32.53 C ATOM 0 H LEU A 16 39.802 -47.669 -16.006 1.00 34.21 H new ATOM 0 HA LEU A 16 38.876 -45.044 -16.874 1.00 12.35 H new ATOM 0 HB2 LEU A 16 37.895 -47.675 -18.054 1.00 52.30 H new ATOM 0 HB3 LEU A 16 37.020 -46.164 -18.193 1.00 52.30 H new ATOM 0 HG LEU A 16 39.807 -46.628 -19.291 1.00 71.10 H new ATOM 0 HD11 LEU A 16 38.704 -46.730 -21.493 1.00 44.51 H new ATOM 0 HD12 LEU A 16 38.168 -48.049 -20.425 1.00 44.51 H new ATOM 0 HD13 LEU A 16 37.115 -46.639 -20.695 1.00 44.51 H new ATOM 0 HD21 LEU A 16 39.371 -44.555 -20.554 1.00 32.53 H new ATOM 0 HD22 LEU A 16 37.806 -44.385 -19.725 1.00 32.53 H new ATOM 0 HD23 LEU A 16 39.320 -44.279 -18.797 1.00 32.53 H new ATOM 228 N VAL A 17 37.317 -45.238 -15.008 1.00 41.14 N ATOM 229 CA VAL A 17 36.365 -45.262 -13.922 1.00 72.42 C ATOM 230 C VAL A 17 35.716 -43.884 -13.791 1.00 34.01 C ATOM 231 O VAL A 17 36.352 -42.867 -14.072 1.00 51.25 O ATOM 232 CB VAL A 17 37.042 -45.671 -12.579 1.00 4.15 C ATOM 233 CG1 VAL A 17 38.073 -44.639 -12.137 1.00 43.25 C ATOM 234 CG2 VAL A 17 36.002 -45.908 -11.491 1.00 72.43 C ATOM 0 H VAL A 17 37.689 -44.311 -15.213 1.00 41.14 H new ATOM 0 HA VAL A 17 35.603 -46.009 -14.145 1.00 72.42 H new ATOM 0 HB VAL A 17 37.569 -46.610 -12.749 1.00 4.15 H new ATOM 0 HG11 VAL A 17 38.525 -44.956 -11.197 1.00 43.25 H new ATOM 0 HG12 VAL A 17 38.847 -44.548 -12.900 1.00 43.25 H new ATOM 0 HG13 VAL A 17 37.585 -43.674 -11.998 1.00 43.25 H new ATOM 0 HG21 VAL A 17 36.502 -46.192 -10.565 1.00 72.43 H new ATOM 0 HG22 VAL A 17 35.430 -44.994 -11.329 1.00 72.43 H new ATOM 0 HG23 VAL A 17 35.328 -46.708 -11.799 1.00 72.43 H new ATOM 244 N VAL A 18 34.457 -43.851 -13.402 1.00 42.04 N ATOM 245 CA VAL A 18 33.746 -42.596 -13.250 1.00 13.31 C ATOM 246 C VAL A 18 32.653 -42.740 -12.192 1.00 31.41 C ATOM 247 O VAL A 18 32.180 -43.851 -11.930 1.00 30.23 O ATOM 248 CB VAL A 18 33.128 -42.128 -14.606 1.00 15.43 C ATOM 249 CG1 VAL A 18 31.985 -43.037 -15.042 1.00 21.22 C ATOM 250 CG2 VAL A 18 32.674 -40.675 -14.535 1.00 13.12 C ATOM 0 H VAL A 18 33.904 -44.680 -13.185 1.00 42.04 H new ATOM 0 HA VAL A 18 34.459 -41.838 -12.928 1.00 13.31 H new ATOM 0 HB VAL A 18 33.911 -42.197 -15.361 1.00 15.43 H new ATOM 0 HG11 VAL A 18 31.579 -42.682 -15.989 1.00 21.22 H new ATOM 0 HG12 VAL A 18 32.356 -44.054 -15.165 1.00 21.22 H new ATOM 0 HG13 VAL A 18 31.202 -43.026 -14.284 1.00 21.22 H new ATOM 0 HG21 VAL A 18 32.249 -40.379 -15.494 1.00 13.12 H new ATOM 0 HG22 VAL A 18 31.920 -40.567 -13.755 1.00 13.12 H new ATOM 0 HG23 VAL A 18 33.528 -40.038 -14.305 1.00 13.12 H new ATOM 260 N ALA A 19 32.270 -41.627 -11.586 1.00 31.11 N ATOM 261 CA ALA A 19 31.238 -41.608 -10.564 1.00 32.24 C ATOM 262 C ALA A 19 30.770 -40.183 -10.330 1.00 62.54 C ATOM 263 O ALA A 19 31.526 -39.234 -10.558 1.00 42.14 O ATOM 264 CB ALA A 19 31.758 -42.211 -9.263 1.00 61.13 C ATOM 0 H ALA A 19 32.668 -40.710 -11.790 1.00 31.11 H new ATOM 0 HA ALA A 19 30.396 -42.209 -10.908 1.00 32.24 H new ATOM 0 HB1 ALA A 19 30.970 -42.187 -8.510 1.00 61.13 H new ATOM 0 HB2 ALA A 19 32.063 -43.243 -9.437 1.00 61.13 H new ATOM 0 HB3 ALA A 19 32.613 -41.634 -8.911 1.00 61.13 H new ATOM 270 N ALA A 20 29.532 -40.035 -9.885 1.00 70.55 N ATOM 271 CA ALA A 20 28.950 -38.722 -9.633 1.00 13.34 C ATOM 272 C ALA A 20 27.655 -38.859 -8.857 1.00 11.20 C ATOM 273 O ALA A 20 26.869 -39.779 -9.105 1.00 51.43 O ATOM 274 CB ALA A 20 28.693 -37.990 -10.947 1.00 14.25 C ATOM 0 H ALA A 20 28.904 -40.815 -9.689 1.00 70.55 H new ATOM 0 HA ALA A 20 29.658 -38.142 -9.041 1.00 13.34 H new ATOM 0 HB1 ALA A 20 28.259 -37.012 -10.740 1.00 14.25 H new ATOM 0 HB2 ALA A 20 29.634 -37.863 -11.483 1.00 14.25 H new ATOM 0 HB3 ALA A 20 28.003 -38.571 -11.558 1.00 14.25 H new ATOM 280 N ALA A 21 27.439 -37.950 -7.917 1.00 23.20 N ATOM 281 CA ALA A 21 26.236 -37.943 -7.096 1.00 0.51 C ATOM 282 C ALA A 21 26.153 -36.650 -6.299 1.00 32.22 C ATOM 283 O ALA A 21 27.157 -36.199 -5.742 1.00 55.45 O ATOM 284 CB ALA A 21 26.225 -39.139 -6.155 1.00 14.30 C ATOM 0 H ALA A 21 28.092 -37.197 -7.702 1.00 23.20 H new ATOM 0 HA ALA A 21 25.369 -38.010 -7.753 1.00 0.51 H new ATOM 0 HB1 ALA A 21 25.319 -39.117 -5.549 1.00 14.30 H new ATOM 0 HB2 ALA A 21 26.250 -40.060 -6.737 1.00 14.30 H new ATOM 0 HB3 ALA A 21 27.098 -39.097 -5.503 1.00 14.30 H new ATOM 290 N ALA A 22 24.964 -36.056 -6.252 1.00 63.24 N ATOM 291 CA ALA A 22 24.746 -34.807 -5.531 1.00 11.22 C ATOM 292 C ALA A 22 23.256 -34.506 -5.416 1.00 3.25 C ATOM 293 O ALA A 22 22.432 -35.197 -6.015 1.00 45.44 O ATOM 294 CB ALA A 22 25.462 -33.661 -6.228 1.00 52.13 C ATOM 0 H ALA A 22 24.130 -36.424 -6.709 1.00 63.24 H new ATOM 0 HA ALA A 22 25.155 -34.916 -4.526 1.00 11.22 H new ATOM 0 HB1 ALA A 22 25.290 -32.736 -5.678 1.00 52.13 H new ATOM 0 HB2 ALA A 22 26.532 -33.868 -6.264 1.00 52.13 H new ATOM 0 HB3 ALA A 22 25.079 -33.556 -7.243 1.00 52.13 H new ATOM 300 N THR A 23 22.916 -33.461 -4.668 1.00 33.34 N ATOM 301 CA THR A 23 21.525 -33.072 -4.469 1.00 41.15 C ATOM 302 C THR A 23 21.397 -31.553 -4.361 1.00 64.32 C ATOM 303 O THR A 23 22.323 -30.875 -3.905 1.00 5.11 O ATOM 304 CB THR A 23 20.922 -33.723 -3.195 1.00 51.44 C ATOM 305 OG1 THR A 23 21.838 -33.593 -2.092 1.00 24.54 O ATOM 306 CG2 THR A 23 20.600 -35.194 -3.424 1.00 11.14 C ATOM 0 H THR A 23 23.590 -32.865 -4.187 1.00 33.34 H new ATOM 0 HA THR A 23 20.970 -33.426 -5.338 1.00 41.15 H new ATOM 0 HB THR A 23 19.993 -33.202 -2.961 1.00 51.44 H new ATOM 0 HG1 THR A 23 21.448 -34.005 -1.293 1.00 24.54 H new ATOM 0 HG21 THR A 23 20.180 -35.620 -2.513 1.00 11.14 H new ATOM 0 HG22 THR A 23 19.878 -35.286 -4.235 1.00 11.14 H new ATOM 0 HG23 THR A 23 21.512 -35.729 -3.688 1.00 11.14 H new ATOM 314 N SER A 24 20.252 -31.031 -4.781 1.00 1.35 N ATOM 315 CA SER A 24 19.980 -29.596 -4.760 1.00 51.14 C ATOM 316 C SER A 24 18.482 -29.352 -4.883 1.00 64.42 C ATOM 317 O SER A 24 17.792 -30.066 -5.620 1.00 51.13 O ATOM 318 CB SER A 24 20.703 -28.891 -5.918 1.00 74.14 C ATOM 319 OG SER A 24 22.114 -29.037 -5.825 1.00 4.34 O ATOM 0 H SER A 24 19.482 -31.591 -5.147 1.00 1.35 H new ATOM 0 HA SER A 24 20.344 -29.192 -3.815 1.00 51.14 H new ATOM 0 HB2 SER A 24 20.357 -29.301 -6.867 1.00 74.14 H new ATOM 0 HB3 SER A 24 20.446 -27.832 -5.916 1.00 74.14 H new ATOM 0 HG SER A 24 22.348 -29.403 -4.947 1.00 4.34 H new ATOM 325 N ALA A 25 17.985 -28.344 -4.170 1.00 33.52 N ATOM 326 CA ALA A 25 16.568 -28.017 -4.181 1.00 1.11 C ATOM 327 C ALA A 25 16.328 -26.667 -3.512 1.00 10.03 C ATOM 328 O ALA A 25 17.221 -26.132 -2.846 1.00 64.44 O ATOM 329 CB ALA A 25 15.773 -29.104 -3.468 1.00 62.42 C ATOM 0 H ALA A 25 18.550 -27.738 -3.575 1.00 33.52 H new ATOM 0 HA ALA A 25 16.233 -27.957 -5.217 1.00 1.11 H new ATOM 0 HB1 ALA A 25 14.713 -28.849 -3.482 1.00 62.42 H new ATOM 0 HB2 ALA A 25 15.923 -30.057 -3.975 1.00 62.42 H new ATOM 0 HB3 ALA A 25 16.113 -29.185 -2.435 1.00 62.42 H new ATOM 335 N LYS A 26 15.129 -26.121 -3.694 1.00 31.44 N ATOM 336 CA LYS A 26 14.764 -24.839 -3.099 1.00 34.21 C ATOM 337 C LYS A 26 13.248 -24.691 -3.030 1.00 63.54 C ATOM 338 O LYS A 26 12.515 -25.441 -3.676 1.00 13.23 O ATOM 339 CB LYS A 26 15.371 -23.670 -3.888 1.00 54.51 C ATOM 340 CG LYS A 26 14.909 -23.583 -5.333 1.00 75.21 C ATOM 341 CD LYS A 26 15.487 -22.357 -6.022 1.00 45.30 C ATOM 342 CE LYS A 26 15.023 -22.254 -7.466 1.00 73.22 C ATOM 343 NZ LYS A 26 13.547 -22.186 -7.574 1.00 62.35 N ATOM 0 H LYS A 26 14.390 -26.549 -4.252 1.00 31.44 H new ATOM 0 HA LYS A 26 15.167 -24.816 -2.087 1.00 34.21 H new ATOM 0 HB2 LYS A 26 15.121 -22.737 -3.382 1.00 54.51 H new ATOM 0 HB3 LYS A 26 16.457 -23.761 -3.871 1.00 54.51 H new ATOM 0 HG2 LYS A 26 15.213 -24.482 -5.869 1.00 75.21 H new ATOM 0 HG3 LYS A 26 13.820 -23.544 -5.368 1.00 75.21 H new ATOM 0 HD2 LYS A 26 15.189 -21.460 -5.479 1.00 45.30 H new ATOM 0 HD3 LYS A 26 16.576 -22.402 -5.992 1.00 45.30 H new ATOM 0 HE2 LYS A 26 15.461 -21.367 -7.925 1.00 73.22 H new ATOM 0 HE3 LYS A 26 15.388 -23.115 -8.026 1.00 73.22 H new ATOM 0 HZ1 LYS A 26 13.282 -21.898 -8.538 1.00 62.35 H new ATOM 0 HZ2 LYS A 26 13.140 -23.121 -7.368 1.00 62.35 H new ATOM 0 HZ3 LYS A 26 13.181 -21.491 -6.892 1.00 62.35 H new ATOM 357 N VAL A 27 12.787 -23.713 -2.262 1.00 33.31 N ATOM 358 CA VAL A 27 11.357 -23.469 -2.080 1.00 63.32 C ATOM 359 C VAL A 27 11.077 -21.974 -2.022 1.00 63.44 C ATOM 360 O VAL A 27 11.988 -21.161 -2.201 1.00 21.33 O ATOM 361 CB VAL A 27 10.821 -24.130 -0.776 1.00 52.50 C ATOM 362 CG1 VAL A 27 10.784 -25.643 -0.903 1.00 54.14 C ATOM 363 CG2 VAL A 27 11.665 -23.719 0.421 1.00 32.33 C ATOM 0 H VAL A 27 13.388 -23.068 -1.749 1.00 33.31 H new ATOM 0 HA VAL A 27 10.846 -23.913 -2.934 1.00 63.32 H new ATOM 0 HB VAL A 27 9.801 -23.778 -0.620 1.00 52.50 H new ATOM 0 HG11 VAL A 27 10.406 -26.077 0.023 1.00 54.14 H new ATOM 0 HG12 VAL A 27 10.130 -25.923 -1.729 1.00 54.14 H new ATOM 0 HG13 VAL A 27 11.790 -26.017 -1.094 1.00 54.14 H new ATOM 0 HG21 VAL A 27 11.274 -24.192 1.322 1.00 32.33 H new ATOM 0 HG22 VAL A 27 12.696 -24.035 0.264 1.00 32.33 H new ATOM 0 HG23 VAL A 27 11.631 -22.636 0.536 1.00 32.33 H new ATOM 373 N GLU A 28 9.828 -21.616 -1.759 1.00 20.34 N ATOM 374 CA GLU A 28 9.416 -20.219 -1.681 1.00 73.51 C ATOM 375 C GLU A 28 8.330 -20.037 -0.642 1.00 24.54 C ATOM 376 O GLU A 28 7.497 -20.920 -0.439 1.00 31.35 O ATOM 377 CB GLU A 28 8.901 -19.721 -3.036 1.00 25.40 C ATOM 378 CG GLU A 28 9.984 -19.234 -3.976 1.00 3.54 C ATOM 379 CD GLU A 28 10.760 -18.078 -3.395 1.00 20.33 C ATOM 380 OE1 GLU A 28 10.168 -16.996 -3.194 1.00 73.12 O ATOM 381 OE2 GLU A 28 11.962 -18.244 -3.126 1.00 23.33 O ATOM 0 H GLU A 28 9.073 -22.282 -1.594 1.00 20.34 H new ATOM 0 HA GLU A 28 10.292 -19.636 -1.396 1.00 73.51 H new ATOM 0 HB2 GLU A 28 8.352 -20.528 -3.521 1.00 25.40 H new ATOM 0 HB3 GLU A 28 8.193 -18.910 -2.866 1.00 25.40 H new ATOM 0 HG2 GLU A 28 10.667 -20.054 -4.198 1.00 3.54 H new ATOM 0 HG3 GLU A 28 9.534 -18.930 -4.921 1.00 3.54 H new ATOM 388 N VAL A 29 8.349 -18.894 0.020 1.00 23.22 N ATOM 389 CA VAL A 29 7.351 -18.576 1.026 1.00 43.13 C ATOM 390 C VAL A 29 6.145 -17.904 0.376 1.00 22.22 C ATOM 391 O VAL A 29 6.042 -17.862 -0.854 1.00 23.21 O ATOM 392 CB VAL A 29 7.933 -17.659 2.131 1.00 21.12 C ATOM 393 CG1 VAL A 29 9.139 -18.314 2.780 1.00 63.33 C ATOM 394 CG2 VAL A 29 8.299 -16.285 1.575 1.00 21.43 C ATOM 0 H VAL A 29 9.049 -18.166 -0.122 1.00 23.22 H new ATOM 0 HA VAL A 29 7.038 -19.510 1.492 1.00 43.13 H new ATOM 0 HB VAL A 29 7.164 -17.515 2.890 1.00 21.12 H new ATOM 0 HG11 VAL A 29 9.537 -17.658 3.554 1.00 63.33 H new ATOM 0 HG12 VAL A 29 8.841 -19.263 3.226 1.00 63.33 H new ATOM 0 HG13 VAL A 29 9.906 -18.492 2.026 1.00 63.33 H new ATOM 0 HG21 VAL A 29 8.704 -15.665 2.375 1.00 21.43 H new ATOM 0 HG22 VAL A 29 9.046 -16.398 0.789 1.00 21.43 H new ATOM 0 HG23 VAL A 29 7.408 -15.810 1.164 1.00 21.43 H new ATOM 404 N ASP A 30 5.248 -17.375 1.187 1.00 14.33 N ATOM 405 CA ASP A 30 4.048 -16.719 0.678 1.00 22.15 C ATOM 406 C ASP A 30 3.556 -15.667 1.651 1.00 63.34 C ATOM 407 O ASP A 30 3.566 -15.878 2.864 1.00 50.11 O ATOM 408 CB ASP A 30 2.937 -17.745 0.422 1.00 40.05 C ATOM 409 CG ASP A 30 1.616 -17.095 0.041 1.00 4.23 C ATOM 410 OD1 ASP A 30 1.521 -16.525 -1.064 1.00 51.13 O ATOM 411 OD2 ASP A 30 0.669 -17.147 0.852 1.00 34.04 O ATOM 0 H ASP A 30 5.324 -17.385 2.204 1.00 14.33 H new ATOM 0 HA ASP A 30 4.307 -16.235 -0.263 1.00 22.15 H new ATOM 0 HB2 ASP A 30 3.248 -18.421 -0.375 1.00 40.05 H new ATOM 0 HB3 ASP A 30 2.795 -18.351 1.317 1.00 40.05 H new ATOM 416 N SER A 31 3.160 -14.530 1.120 1.00 25.44 N ATOM 417 CA SER A 31 2.637 -13.446 1.922 1.00 12.31 C ATOM 418 C SER A 31 1.135 -13.633 2.158 1.00 61.21 C ATOM 419 O SER A 31 0.334 -13.532 1.222 1.00 64.33 O ATOM 420 CB SER A 31 2.906 -12.111 1.227 1.00 53.34 C ATOM 421 OG SER A 31 4.294 -11.956 0.958 1.00 44.43 O ATOM 0 H SER A 31 3.192 -14.332 0.120 1.00 25.44 H new ATOM 0 HA SER A 31 3.138 -13.448 2.890 1.00 12.31 H new ATOM 0 HB2 SER A 31 2.342 -12.060 0.296 1.00 53.34 H new ATOM 0 HB3 SER A 31 2.558 -11.291 1.856 1.00 53.34 H new ATOM 0 HG SER A 31 4.413 -11.551 0.073 1.00 44.43 H new ATOM 427 N PRO A 32 0.737 -13.936 3.409 1.00 25.25 N ATOM 428 CA PRO A 32 -0.670 -14.134 3.763 1.00 53.11 C ATOM 429 C PRO A 32 -1.480 -12.847 3.610 1.00 32.13 C ATOM 430 O PRO A 32 -1.107 -11.797 4.149 1.00 62.23 O ATOM 431 CB PRO A 32 -0.624 -14.557 5.242 1.00 52.13 C ATOM 432 CG PRO A 32 0.791 -14.952 5.490 1.00 12.23 C ATOM 433 CD PRO A 32 1.619 -14.113 4.568 1.00 33.54 C ATOM 0 HA PRO A 32 -1.151 -14.868 3.116 1.00 53.11 H new ATOM 0 HB2 PRO A 32 -0.925 -13.738 5.896 1.00 52.13 H new ATOM 0 HB3 PRO A 32 -1.304 -15.386 5.436 1.00 52.13 H new ATOM 0 HG2 PRO A 32 1.068 -14.779 6.530 1.00 12.23 H new ATOM 0 HG3 PRO A 32 0.941 -16.013 5.292 1.00 12.23 H new ATOM 0 HD2 PRO A 32 1.888 -13.159 5.021 1.00 33.54 H new ATOM 0 HD3 PRO A 32 2.550 -14.610 4.296 1.00 33.54 H new ATOM 441 N PRO A 33 -2.594 -12.907 2.868 1.00 4.24 N ATOM 442 CA PRO A 33 -3.453 -11.748 2.641 1.00 5.15 C ATOM 443 C PRO A 33 -4.105 -11.256 3.924 1.00 50.53 C ATOM 444 O PRO A 33 -4.615 -12.050 4.717 1.00 21.52 O ATOM 445 CB PRO A 33 -4.525 -12.267 1.674 1.00 1.34 C ATOM 446 CG PRO A 33 -4.513 -13.746 1.844 1.00 24.34 C ATOM 447 CD PRO A 33 -3.102 -14.113 2.191 1.00 62.44 C ATOM 0 HA PRO A 33 -2.887 -10.900 2.254 1.00 5.15 H new ATOM 0 HB2 PRO A 33 -5.504 -11.850 1.910 1.00 1.34 H new ATOM 0 HB3 PRO A 33 -4.298 -11.986 0.646 1.00 1.34 H new ATOM 0 HG2 PRO A 33 -5.201 -14.053 2.632 1.00 24.34 H new ATOM 0 HG3 PRO A 33 -4.832 -14.246 0.930 1.00 24.34 H new ATOM 0 HD2 PRO A 33 -3.062 -14.986 2.842 1.00 62.44 H new ATOM 0 HD3 PRO A 33 -2.518 -14.351 1.302 1.00 62.44 H new ATOM 455 N ALA A 34 -4.073 -9.952 4.130 1.00 15.41 N ATOM 456 CA ALA A 34 -4.703 -9.355 5.287 1.00 55.14 C ATOM 457 C ALA A 34 -6.215 -9.487 5.168 1.00 54.31 C ATOM 458 O ALA A 34 -6.761 -9.330 4.082 1.00 34.44 O ATOM 459 CB ALA A 34 -4.304 -7.895 5.406 1.00 33.33 C ATOM 0 H ALA A 34 -3.615 -9.287 3.507 1.00 15.41 H new ATOM 0 HA ALA A 34 -4.372 -9.875 6.186 1.00 55.14 H new ATOM 0 HB1 ALA A 34 -4.785 -7.457 6.281 1.00 33.33 H new ATOM 0 HB2 ALA A 34 -3.222 -7.821 5.511 1.00 33.33 H new ATOM 0 HB3 ALA A 34 -4.619 -7.358 4.511 1.00 33.33 H new ATOM 465 N PRO A 35 -6.904 -9.788 6.277 1.00 12.44 N ATOM 466 CA PRO A 35 -8.367 -9.974 6.285 1.00 74.33 C ATOM 467 C PRO A 35 -9.153 -8.662 6.093 1.00 31.44 C ATOM 468 O PRO A 35 -10.093 -8.371 6.838 1.00 31.20 O ATOM 469 CB PRO A 35 -8.636 -10.567 7.672 1.00 21.31 C ATOM 470 CG PRO A 35 -7.506 -10.092 8.519 1.00 32.31 C ATOM 471 CD PRO A 35 -6.312 -9.985 7.615 1.00 22.34 C ATOM 0 HA PRO A 35 -8.694 -10.604 5.458 1.00 74.33 H new ATOM 0 HB2 PRO A 35 -9.594 -10.229 8.067 1.00 21.31 H new ATOM 0 HB3 PRO A 35 -8.672 -11.656 7.636 1.00 21.31 H new ATOM 0 HG2 PRO A 35 -7.738 -9.128 8.971 1.00 32.31 H new ATOM 0 HG3 PRO A 35 -7.314 -10.788 9.335 1.00 32.31 H new ATOM 0 HD2 PRO A 35 -5.670 -9.150 7.896 1.00 22.34 H new ATOM 0 HD3 PRO A 35 -5.699 -10.885 7.653 1.00 22.34 H new ATOM 479 N VAL A 36 -8.780 -7.895 5.083 1.00 0.24 N ATOM 480 CA VAL A 36 -9.453 -6.649 4.780 1.00 34.22 C ATOM 481 C VAL A 36 -10.645 -6.908 3.864 1.00 14.24 C ATOM 482 O VAL A 36 -10.488 -7.082 2.649 1.00 25.44 O ATOM 483 CB VAL A 36 -8.499 -5.625 4.114 1.00 75.31 C ATOM 484 CG1 VAL A 36 -9.205 -4.293 3.890 1.00 72.33 C ATOM 485 CG2 VAL A 36 -7.247 -5.430 4.955 1.00 33.23 C ATOM 0 H VAL A 36 -8.008 -8.118 4.455 1.00 0.24 H new ATOM 0 HA VAL A 36 -9.796 -6.224 5.723 1.00 34.22 H new ATOM 0 HB VAL A 36 -8.202 -6.022 3.143 1.00 75.31 H new ATOM 0 HG11 VAL A 36 -8.516 -3.590 3.422 1.00 72.33 H new ATOM 0 HG12 VAL A 36 -10.067 -4.443 3.241 1.00 72.33 H new ATOM 0 HG13 VAL A 36 -9.537 -3.892 4.847 1.00 72.33 H new ATOM 0 HG21 VAL A 36 -6.591 -4.707 4.469 1.00 33.23 H new ATOM 0 HG22 VAL A 36 -7.526 -5.061 5.942 1.00 33.23 H new ATOM 0 HG23 VAL A 36 -6.726 -6.382 5.057 1.00 33.23 H new ATOM 495 N THR A 37 -11.823 -6.968 4.450 1.00 5.23 N ATOM 496 CA THR A 37 -13.037 -7.214 3.697 1.00 61.02 C ATOM 497 C THR A 37 -13.685 -5.910 3.252 1.00 13.42 C ATOM 498 O THR A 37 -14.579 -5.904 2.406 1.00 73.14 O ATOM 499 CB THR A 37 -14.041 -8.036 4.523 1.00 55.33 C ATOM 500 OG1 THR A 37 -14.117 -7.509 5.856 1.00 23.00 O ATOM 501 CG2 THR A 37 -13.627 -9.497 4.575 1.00 11.13 C ATOM 0 H THR A 37 -11.966 -6.849 5.453 1.00 5.23 H new ATOM 0 HA THR A 37 -12.758 -7.784 2.811 1.00 61.02 H new ATOM 0 HB THR A 37 -15.019 -7.969 4.046 1.00 55.33 H new ATOM 0 HG1 THR A 37 -14.759 -8.034 6.379 1.00 23.00 H new ATOM 0 HG21 THR A 37 -14.351 -10.060 5.164 1.00 11.13 H new ATOM 0 HG22 THR A 37 -13.590 -9.901 3.563 1.00 11.13 H new ATOM 0 HG23 THR A 37 -12.642 -9.580 5.035 1.00 11.13 H new ATOM 509 N HIS A 38 -13.238 -4.810 3.830 1.00 52.04 N ATOM 510 CA HIS A 38 -13.766 -3.504 3.480 1.00 64.44 C ATOM 511 C HIS A 38 -13.121 -2.998 2.206 1.00 70.22 C ATOM 512 O HIS A 38 -11.949 -3.269 1.943 1.00 3.23 O ATOM 513 CB HIS A 38 -13.558 -2.498 4.614 1.00 21.43 C ATOM 514 CG HIS A 38 -14.506 -2.668 5.766 1.00 12.12 C ATOM 515 ND1 HIS A 38 -15.468 -1.737 6.085 1.00 35.30 N ATOM 516 CD2 HIS A 38 -14.630 -3.658 6.684 1.00 73.11 C ATOM 517 CE1 HIS A 38 -16.140 -2.143 7.145 1.00 52.42 C ATOM 518 NE2 HIS A 38 -15.651 -3.304 7.528 1.00 34.05 N ATOM 0 H HIS A 38 -12.510 -4.795 4.544 1.00 52.04 H new ATOM 0 HA HIS A 38 -14.838 -3.610 3.316 1.00 64.44 H new ATOM 0 HB2 HIS A 38 -12.536 -2.588 4.982 1.00 21.43 H new ATOM 0 HB3 HIS A 38 -13.665 -1.489 4.215 1.00 21.43 H new ATOM 0 HD2 HIS A 38 -14.035 -4.558 6.740 1.00 73.11 H new ATOM 0 HE1 HIS A 38 -16.953 -1.613 7.618 1.00 52.42 H new ATOM 0 HE2 HIS A 38 -15.979 -3.851 8.324 1.00 34.05 H new ATOM 527 N GLY A 39 -13.887 -2.280 1.415 1.00 23.11 N ATOM 528 CA GLY A 39 -13.381 -1.764 0.172 1.00 64.42 C ATOM 529 C GLY A 39 -14.015 -2.445 -1.014 1.00 60.25 C ATOM 530 O GLY A 39 -14.198 -3.666 -1.010 1.00 30.24 O ATOM 0 H GLY A 39 -14.859 -2.043 1.613 1.00 23.11 H new ATOM 0 HA2 GLY A 39 -13.570 -0.692 0.120 1.00 64.42 H new ATOM 0 HA3 GLY A 39 -12.300 -1.900 0.135 1.00 64.42 H new ATOM 534 N ALA A 40 -14.340 -1.671 -2.032 1.00 71.35 N ATOM 535 CA ALA A 40 -14.977 -2.196 -3.224 1.00 34.13 C ATOM 536 C ALA A 40 -14.882 -1.194 -4.359 1.00 3.23 C ATOM 537 O ALA A 40 -15.635 -0.225 -4.413 1.00 44.52 O ATOM 538 CB ALA A 40 -16.437 -2.544 -2.949 1.00 33.32 C ATOM 0 H ALA A 40 -14.171 -0.665 -2.056 1.00 71.35 H new ATOM 0 HA ALA A 40 -14.455 -3.107 -3.516 1.00 34.13 H new ATOM 0 HB1 ALA A 40 -16.895 -2.936 -3.857 1.00 33.32 H new ATOM 0 HB2 ALA A 40 -16.490 -3.296 -2.162 1.00 33.32 H new ATOM 0 HB3 ALA A 40 -16.971 -1.648 -2.631 1.00 33.32 H new ATOM 544 N ALA A 41 -13.934 -1.429 -5.247 1.00 53.41 N ATOM 545 CA ALA A 41 -13.707 -0.572 -6.398 1.00 12.52 C ATOM 546 C ALA A 41 -12.784 -1.268 -7.374 1.00 25.12 C ATOM 547 O ALA A 41 -11.564 -1.146 -7.290 1.00 42.14 O ATOM 548 CB ALA A 41 -13.122 0.772 -5.975 1.00 64.42 C ATOM 0 H ALA A 41 -13.296 -2.223 -5.191 1.00 53.41 H new ATOM 0 HA ALA A 41 -14.664 -0.379 -6.883 1.00 12.52 H new ATOM 0 HB1 ALA A 41 -12.962 1.393 -6.856 1.00 64.42 H new ATOM 0 HB2 ALA A 41 -13.814 1.273 -5.298 1.00 64.42 H new ATOM 0 HB3 ALA A 41 -12.171 0.611 -5.467 1.00 64.42 H new ATOM 554 N MET A 42 -13.371 -2.040 -8.257 1.00 14.23 N ATOM 555 CA MET A 42 -12.622 -2.784 -9.243 1.00 12.31 C ATOM 556 C MET A 42 -12.364 -1.932 -10.476 1.00 1.12 C ATOM 557 O MET A 42 -13.310 -1.458 -11.121 1.00 10.51 O ATOM 558 CB MET A 42 -13.371 -4.065 -9.642 1.00 14.42 C ATOM 559 CG MET A 42 -13.495 -5.111 -8.533 1.00 44.03 C ATOM 560 SD MET A 42 -14.556 -4.592 -7.164 1.00 31.11 S ATOM 561 CE MET A 42 -14.517 -6.061 -6.142 1.00 43.04 C ATOM 0 H MET A 42 -14.381 -2.171 -8.313 1.00 14.23 H new ATOM 0 HA MET A 42 -11.665 -3.060 -8.799 1.00 12.31 H new ATOM 0 HB2 MET A 42 -14.372 -3.793 -9.979 1.00 14.42 H new ATOM 0 HB3 MET A 42 -12.860 -4.517 -10.492 1.00 14.42 H new ATOM 0 HG2 MET A 42 -13.890 -6.034 -8.958 1.00 44.03 H new ATOM 0 HG3 MET A 42 -12.502 -5.338 -8.146 1.00 44.03 H new ATOM 0 HE1 MET A 42 -14.942 -5.835 -5.164 1.00 43.04 H new ATOM 0 HE2 MET A 42 -15.099 -6.851 -6.617 1.00 43.04 H new ATOM 0 HE3 MET A 42 -13.486 -6.393 -6.021 1.00 43.04 H new ATOM 571 N PRO A 43 -11.087 -1.709 -10.819 1.00 51.30 N ATOM 572 CA PRO A 43 -10.721 -0.941 -12.004 1.00 43.32 C ATOM 573 C PRO A 43 -11.123 -1.678 -13.277 1.00 2.15 C ATOM 574 O PRO A 43 -11.017 -2.903 -13.356 1.00 40.24 O ATOM 575 CB PRO A 43 -9.194 -0.825 -11.906 1.00 73.24 C ATOM 576 CG PRO A 43 -8.779 -1.967 -11.046 1.00 3.35 C ATOM 577 CD PRO A 43 -9.905 -2.191 -10.080 1.00 74.35 C ATOM 0 HA PRO A 43 -11.219 0.028 -12.047 1.00 43.32 H new ATOM 0 HB2 PRO A 43 -8.729 -0.882 -12.890 1.00 73.24 H new ATOM 0 HB3 PRO A 43 -8.897 0.128 -11.468 1.00 73.24 H new ATOM 0 HG2 PRO A 43 -8.596 -2.859 -11.645 1.00 3.35 H new ATOM 0 HG3 PRO A 43 -7.852 -1.741 -10.519 1.00 3.35 H new ATOM 0 HD2 PRO A 43 -10.000 -3.243 -9.810 1.00 74.35 H new ATOM 0 HD3 PRO A 43 -9.756 -1.637 -9.153 1.00 74.35 H new ATOM 585 N THR A 44 -11.575 -0.943 -14.266 1.00 54.20 N ATOM 586 CA THR A 44 -12.033 -1.542 -15.497 1.00 71.53 C ATOM 587 C THR A 44 -11.832 -0.586 -16.668 1.00 13.35 C ATOM 588 O THR A 44 -11.715 0.632 -16.470 1.00 72.33 O ATOM 589 CB THR A 44 -13.535 -1.940 -15.389 1.00 50.13 C ATOM 590 OG1 THR A 44 -13.980 -2.575 -16.596 1.00 51.12 O ATOM 591 CG2 THR A 44 -14.401 -0.719 -15.108 1.00 50.12 C ATOM 0 H THR A 44 -11.635 0.075 -14.241 1.00 54.20 H new ATOM 0 HA THR A 44 -11.443 -2.442 -15.673 1.00 71.53 H new ATOM 0 HB THR A 44 -13.633 -2.641 -14.560 1.00 50.13 H new ATOM 0 HG1 THR A 44 -14.925 -2.819 -16.508 1.00 51.12 H new ATOM 0 HG21 THR A 44 -15.446 -1.022 -15.037 1.00 50.12 H new ATOM 0 HG22 THR A 44 -14.091 -0.262 -14.168 1.00 50.12 H new ATOM 0 HG23 THR A 44 -14.287 0.002 -15.917 1.00 50.12 H new ATOM 599 N LEU A 45 -11.763 -1.154 -17.870 1.00 55.43 N ATOM 600 CA LEU A 45 -11.600 -0.395 -19.110 1.00 60.01 C ATOM 601 C LEU A 45 -10.298 0.413 -19.107 1.00 2.33 C ATOM 602 O LEU A 45 -10.310 1.648 -19.138 1.00 20.10 O ATOM 603 CB LEU A 45 -12.813 0.518 -19.348 1.00 44.05 C ATOM 604 CG LEU A 45 -12.926 1.133 -20.743 1.00 74.41 C ATOM 605 CD1 LEU A 45 -13.098 0.046 -21.792 1.00 4.55 C ATOM 606 CD2 LEU A 45 -14.082 2.116 -20.798 1.00 63.04 C ATOM 0 H LEU A 45 -11.819 -2.162 -18.013 1.00 55.43 H new ATOM 0 HA LEU A 45 -11.540 -1.108 -19.932 1.00 60.01 H new ATOM 0 HB2 LEU A 45 -13.719 -0.056 -19.151 1.00 44.05 H new ATOM 0 HB3 LEU A 45 -12.783 1.327 -18.618 1.00 44.05 H new ATOM 0 HG LEU A 45 -12.004 1.674 -20.958 1.00 74.41 H new ATOM 0 HD11 LEU A 45 -13.177 0.502 -22.779 1.00 4.55 H new ATOM 0 HD12 LEU A 45 -12.237 -0.622 -21.769 1.00 4.55 H new ATOM 0 HD13 LEU A 45 -14.004 -0.523 -21.582 1.00 4.55 H new ATOM 0 HD21 LEU A 45 -14.148 2.544 -21.798 1.00 63.04 H new ATOM 0 HD22 LEU A 45 -15.012 1.598 -20.563 1.00 63.04 H new ATOM 0 HD23 LEU A 45 -13.917 2.912 -20.072 1.00 63.04 H new ATOM 618 N SER A 46 -9.180 -0.296 -19.058 1.00 65.45 N ATOM 619 CA SER A 46 -7.866 0.327 -19.050 1.00 4.54 C ATOM 620 C SER A 46 -6.782 -0.729 -19.229 1.00 33.40 C ATOM 621 O SER A 46 -6.839 -1.794 -18.615 1.00 13.02 O ATOM 622 CB SER A 46 -7.650 1.086 -17.738 1.00 74.24 C ATOM 623 OG SER A 46 -7.906 0.243 -16.625 1.00 30.23 O ATOM 0 H SER A 46 -9.158 -1.315 -19.023 1.00 65.45 H new ATOM 0 HA SER A 46 -7.808 1.033 -19.878 1.00 4.54 H new ATOM 0 HB2 SER A 46 -6.627 1.458 -17.691 1.00 74.24 H new ATOM 0 HB3 SER A 46 -8.307 1.955 -17.702 1.00 74.24 H new ATOM 0 HG SER A 46 -7.761 0.744 -15.795 1.00 30.23 H new ATOM 629 N SER A 47 -5.815 -0.445 -20.070 1.00 61.32 N ATOM 630 CA SER A 47 -4.719 -1.364 -20.306 1.00 52.11 C ATOM 631 C SER A 47 -3.391 -0.615 -20.316 1.00 64.34 C ATOM 632 O SER A 47 -2.455 -0.987 -19.602 1.00 74.51 O ATOM 633 CB SER A 47 -4.932 -2.113 -21.622 1.00 15.22 C ATOM 634 OG SER A 47 -6.181 -2.800 -21.615 1.00 11.24 O ATOM 0 H SER A 47 -5.763 0.421 -20.607 1.00 61.32 H new ATOM 0 HA SER A 47 -4.691 -2.094 -19.497 1.00 52.11 H new ATOM 0 HB2 SER A 47 -4.903 -1.410 -22.455 1.00 15.22 H new ATOM 0 HB3 SER A 47 -4.121 -2.825 -21.776 1.00 15.22 H new ATOM 0 HG SER A 47 -6.300 -3.272 -22.466 1.00 11.24 H new ATOM 640 N ALA A 48 -3.327 0.450 -21.130 1.00 12.12 N ATOM 641 CA ALA A 48 -2.145 1.313 -21.235 1.00 55.54 C ATOM 642 C ALA A 48 -0.907 0.558 -21.728 1.00 62.11 C ATOM 643 O ALA A 48 -0.964 -0.635 -22.046 1.00 60.42 O ATOM 644 CB ALA A 48 -1.859 2.000 -19.901 1.00 60.11 C ATOM 0 H ALA A 48 -4.097 0.736 -21.735 1.00 12.12 H new ATOM 0 HA ALA A 48 -2.373 2.072 -21.984 1.00 55.54 H new ATOM 0 HB1 ALA A 48 -0.979 2.635 -20.000 1.00 60.11 H new ATOM 0 HB2 ALA A 48 -2.716 2.610 -19.615 1.00 60.11 H new ATOM 0 HB3 ALA A 48 -1.678 1.246 -19.135 1.00 60.11 H new ATOM 650 N THR A 49 0.205 1.269 -21.794 1.00 54.00 N ATOM 651 CA THR A 49 1.468 0.704 -22.224 1.00 63.14 C ATOM 652 C THR A 49 2.604 1.408 -21.493 1.00 2.15 C ATOM 653 O THR A 49 2.701 2.637 -21.529 1.00 50.51 O ATOM 654 CB THR A 49 1.673 0.876 -23.749 1.00 42.43 C ATOM 655 OG1 THR A 49 0.515 0.405 -24.459 1.00 71.34 O ATOM 656 CG2 THR A 49 2.899 0.106 -24.222 1.00 0.12 C ATOM 0 H THR A 49 0.255 2.258 -21.550 1.00 54.00 H new ATOM 0 HA THR A 49 1.461 -0.361 -21.994 1.00 63.14 H new ATOM 0 HB THR A 49 1.822 1.937 -23.952 1.00 42.43 H new ATOM 0 HG1 THR A 49 0.653 0.519 -25.422 1.00 71.34 H new ATOM 0 HG21 THR A 49 3.022 0.242 -25.296 1.00 0.12 H new ATOM 0 HG22 THR A 49 3.784 0.478 -23.705 1.00 0.12 H new ATOM 0 HG23 THR A 49 2.770 -0.954 -24.003 1.00 0.12 H new ATOM 664 N ALA A 50 3.448 0.639 -20.829 1.00 22.33 N ATOM 665 CA ALA A 50 4.557 1.196 -20.074 1.00 22.14 C ATOM 666 C ALA A 50 5.556 0.112 -19.731 1.00 50.25 C ATOM 667 O ALA A 50 5.197 -1.061 -19.634 1.00 31.31 O ATOM 668 CB ALA A 50 4.053 1.867 -18.799 1.00 35.35 C ATOM 0 H ALA A 50 3.386 -0.379 -20.797 1.00 22.33 H new ATOM 0 HA ALA A 50 5.050 1.947 -20.691 1.00 22.14 H new ATOM 0 HB1 ALA A 50 4.897 2.279 -18.246 1.00 35.35 H new ATOM 0 HB2 ALA A 50 3.363 2.670 -19.059 1.00 35.35 H new ATOM 0 HB3 ALA A 50 3.538 1.132 -18.180 1.00 35.35 H new ATOM 674 N GLN A 51 6.805 0.501 -19.562 1.00 5.53 N ATOM 675 CA GLN A 51 7.856 -0.444 -19.225 1.00 34.54 C ATOM 676 C GLN A 51 7.854 -0.718 -17.726 1.00 4.33 C ATOM 677 O GLN A 51 7.434 0.138 -16.945 1.00 73.44 O ATOM 678 CB GLN A 51 9.225 0.091 -19.666 1.00 11.23 C ATOM 679 CG GLN A 51 9.636 1.390 -18.989 1.00 74.40 C ATOM 680 CD GLN A 51 10.995 1.875 -19.446 1.00 64.54 C ATOM 681 OE1 GLN A 51 11.406 1.629 -20.581 1.00 60.12 O ATOM 682 NE2 GLN A 51 11.696 2.567 -18.576 1.00 45.23 N ATOM 0 H GLN A 51 7.119 1.467 -19.653 1.00 5.53 H new ATOM 0 HA GLN A 51 7.665 -1.378 -19.754 1.00 34.54 H new ATOM 0 HB2 GLN A 51 9.981 -0.667 -19.462 1.00 11.23 H new ATOM 0 HB3 GLN A 51 9.212 0.245 -20.745 1.00 11.23 H new ATOM 0 HG2 GLN A 51 8.890 2.157 -19.198 1.00 74.40 H new ATOM 0 HG3 GLN A 51 9.650 1.245 -17.909 1.00 74.40 H new ATOM 0 HE21 GLN A 51 11.319 2.749 -17.646 1.00 45.23 H new ATOM 0 HE22 GLN A 51 12.617 2.923 -18.831 1.00 45.23 H new ATOM 691 N PRO A 52 8.298 -1.924 -17.307 1.00 40.52 N ATOM 692 CA PRO A 52 8.363 -2.302 -15.888 1.00 72.12 C ATOM 693 C PRO A 52 9.140 -1.284 -15.062 1.00 4.44 C ATOM 694 O PRO A 52 10.298 -0.978 -15.364 1.00 25.32 O ATOM 695 CB PRO A 52 9.105 -3.640 -15.908 1.00 43.30 C ATOM 696 CG PRO A 52 8.833 -4.197 -17.258 1.00 12.03 C ATOM 697 CD PRO A 52 8.762 -3.017 -18.185 1.00 44.52 C ATOM 0 HA PRO A 52 7.374 -2.355 -15.434 1.00 72.12 H new ATOM 0 HB2 PRO A 52 10.174 -3.503 -15.743 1.00 43.30 H new ATOM 0 HB3 PRO A 52 8.744 -4.306 -15.124 1.00 43.30 H new ATOM 0 HG2 PRO A 52 9.621 -4.886 -17.562 1.00 12.03 H new ATOM 0 HG3 PRO A 52 7.898 -4.758 -17.268 1.00 12.03 H new ATOM 0 HD2 PRO A 52 9.733 -2.793 -18.627 1.00 44.52 H new ATOM 0 HD3 PRO A 52 8.070 -3.193 -19.008 1.00 44.52 H new ATOM 705 N LEU A 53 8.496 -0.753 -14.040 1.00 5.03 N ATOM 706 CA LEU A 53 9.116 0.238 -13.177 1.00 15.30 C ATOM 707 C LEU A 53 10.223 -0.385 -12.334 1.00 13.41 C ATOM 708 O LEU A 53 9.995 -1.373 -11.629 1.00 25.05 O ATOM 709 CB LEU A 53 8.068 0.888 -12.265 1.00 21.32 C ATOM 710 CG LEU A 53 6.944 1.643 -12.979 1.00 13.41 C ATOM 711 CD1 LEU A 53 5.966 2.228 -11.974 1.00 41.51 C ATOM 712 CD2 LEU A 53 7.515 2.735 -13.867 1.00 34.43 C ATOM 0 H LEU A 53 7.538 -0.992 -13.785 1.00 5.03 H new ATOM 0 HA LEU A 53 9.557 1.005 -13.814 1.00 15.30 H new ATOM 0 HB2 LEU A 53 7.622 0.111 -11.644 1.00 21.32 H new ATOM 0 HB3 LEU A 53 8.576 1.580 -11.594 1.00 21.32 H new ATOM 0 HG LEU A 53 6.404 0.936 -13.608 1.00 13.41 H new ATOM 0 HD11 LEU A 53 5.175 2.760 -12.503 1.00 41.51 H new ATOM 0 HD12 LEU A 53 5.529 1.424 -11.382 1.00 41.51 H new ATOM 0 HD13 LEU A 53 6.491 2.920 -11.315 1.00 41.51 H new ATOM 0 HD21 LEU A 53 6.701 3.261 -14.366 1.00 34.43 H new ATOM 0 HD22 LEU A 53 8.083 3.439 -13.259 1.00 34.43 H new ATOM 0 HD23 LEU A 53 8.172 2.290 -14.614 1.00 34.43 H new ATOM 724 N PRO A 54 11.451 0.165 -12.416 1.00 52.52 N ATOM 725 CA PRO A 54 12.573 -0.310 -11.613 1.00 74.32 C ATOM 726 C PRO A 54 12.347 0.001 -10.143 1.00 45.13 C ATOM 727 O PRO A 54 12.353 1.166 -9.740 1.00 34.55 O ATOM 728 CB PRO A 54 13.779 0.487 -12.145 1.00 32.22 C ATOM 729 CG PRO A 54 13.315 1.108 -13.421 1.00 63.13 C ATOM 730 CD PRO A 54 11.833 1.279 -13.290 1.00 60.34 C ATOM 0 HA PRO A 54 12.712 -1.389 -11.687 1.00 74.32 H new ATOM 0 HB2 PRO A 54 14.093 1.247 -11.430 1.00 32.22 H new ATOM 0 HB3 PRO A 54 14.636 -0.165 -12.315 1.00 32.22 H new ATOM 0 HG2 PRO A 54 13.804 2.068 -13.587 1.00 63.13 H new ATOM 0 HG3 PRO A 54 13.560 0.474 -14.273 1.00 63.13 H new ATOM 0 HD2 PRO A 54 11.575 2.243 -12.852 1.00 60.34 H new ATOM 0 HD3 PRO A 54 11.333 1.224 -14.257 1.00 60.34 H new ATOM 738 N VAL A 55 12.142 -1.029 -9.347 1.00 4.24 N ATOM 739 CA VAL A 55 11.850 -0.842 -7.938 1.00 60.52 C ATOM 740 C VAL A 55 13.102 -0.517 -7.142 1.00 3.43 C ATOM 741 O VAL A 55 14.221 -0.909 -7.516 1.00 31.53 O ATOM 742 CB VAL A 55 11.134 -2.066 -7.318 1.00 4.35 C ATOM 743 CG1 VAL A 55 9.784 -2.279 -7.978 1.00 75.34 C ATOM 744 CG2 VAL A 55 11.989 -3.318 -7.438 1.00 0.44 C ATOM 0 H VAL A 55 12.172 -2.003 -9.650 1.00 4.24 H new ATOM 0 HA VAL A 55 11.171 0.009 -7.882 1.00 60.52 H new ATOM 0 HB VAL A 55 10.977 -1.866 -6.258 1.00 4.35 H new ATOM 0 HG11 VAL A 55 9.293 -3.143 -7.531 1.00 75.34 H new ATOM 0 HG12 VAL A 55 9.164 -1.394 -7.833 1.00 75.34 H new ATOM 0 HG13 VAL A 55 9.924 -2.453 -9.045 1.00 75.34 H new ATOM 0 HG21 VAL A 55 11.462 -4.163 -6.994 1.00 0.44 H new ATOM 0 HG22 VAL A 55 12.186 -3.525 -8.490 1.00 0.44 H new ATOM 0 HG23 VAL A 55 12.933 -3.165 -6.916 1.00 0.44 H new ATOM 754 N ALA A 56 12.907 0.194 -6.050 1.00 35.13 N ATOM 755 CA ALA A 56 13.986 0.626 -5.192 1.00 10.15 C ATOM 756 C ALA A 56 13.412 1.162 -3.899 1.00 74.12 C ATOM 757 O ALA A 56 12.200 1.092 -3.681 1.00 5.41 O ATOM 758 CB ALA A 56 14.803 1.710 -5.886 1.00 22.01 C ATOM 0 H ALA A 56 11.984 0.490 -5.732 1.00 35.13 H new ATOM 0 HA ALA A 56 14.638 -0.221 -4.977 1.00 10.15 H new ATOM 0 HB1 ALA A 56 15.614 2.029 -5.232 1.00 22.01 H new ATOM 0 HB2 ALA A 56 15.219 1.315 -6.813 1.00 22.01 H new ATOM 0 HB3 ALA A 56 14.161 2.562 -6.110 1.00 22.01 H new ATOM 764 N SER A 57 14.268 1.697 -3.053 1.00 51.43 N ATOM 765 CA SER A 57 13.831 2.270 -1.800 1.00 61.25 C ATOM 766 C SER A 57 13.100 3.581 -2.070 1.00 51.13 C ATOM 767 O SER A 57 13.657 4.496 -2.686 1.00 14.23 O ATOM 768 CB SER A 57 15.036 2.496 -0.895 1.00 24.53 C ATOM 769 OG SER A 57 15.784 1.294 -0.762 1.00 41.10 O ATOM 0 H SER A 57 15.274 1.746 -3.213 1.00 51.43 H new ATOM 0 HA SER A 57 13.146 1.587 -1.298 1.00 61.25 H new ATOM 0 HB2 SER A 57 15.668 3.282 -1.309 1.00 24.53 H new ATOM 0 HB3 SER A 57 14.704 2.837 0.086 1.00 24.53 H new ATOM 0 HG SER A 57 16.556 1.452 -0.180 1.00 41.10 H new ATOM 775 N ALA A 58 11.852 3.655 -1.625 1.00 44.34 N ATOM 776 CA ALA A 58 11.000 4.810 -1.884 1.00 55.42 C ATOM 777 C ALA A 58 11.481 6.063 -1.155 1.00 21.50 C ATOM 778 O ALA A 58 11.475 6.121 0.076 1.00 3.11 O ATOM 779 CB ALA A 58 9.560 4.495 -1.504 1.00 0.33 C ATOM 0 H ALA A 58 11.403 2.921 -1.077 1.00 44.34 H new ATOM 0 HA ALA A 58 11.055 5.021 -2.952 1.00 55.42 H new ATOM 0 HB1 ALA A 58 8.933 5.364 -1.702 1.00 0.33 H new ATOM 0 HB2 ALA A 58 9.205 3.650 -2.094 1.00 0.33 H new ATOM 0 HB3 ALA A 58 9.510 4.245 -0.444 1.00 0.33 H new ATOM 785 N PRO A 59 11.904 7.081 -1.919 1.00 30.31 N ATOM 786 CA PRO A 59 12.350 8.358 -1.379 1.00 34.21 C ATOM 787 C PRO A 59 11.168 9.309 -1.178 1.00 22.51 C ATOM 788 O PRO A 59 10.019 8.943 -1.449 1.00 23.22 O ATOM 789 CB PRO A 59 13.272 8.879 -2.475 1.00 1.33 C ATOM 790 CG PRO A 59 12.674 8.363 -3.742 1.00 24.43 C ATOM 791 CD PRO A 59 11.984 7.063 -3.396 1.00 25.12 C ATOM 0 HA PRO A 59 12.831 8.270 -0.405 1.00 34.21 H new ATOM 0 HB2 PRO A 59 13.317 9.968 -2.472 1.00 1.33 H new ATOM 0 HB3 PRO A 59 14.292 8.518 -2.341 1.00 1.33 H new ATOM 0 HG2 PRO A 59 11.965 9.080 -4.156 1.00 24.43 H new ATOM 0 HG3 PRO A 59 13.444 8.204 -4.497 1.00 24.43 H new ATOM 0 HD2 PRO A 59 10.994 7.004 -3.848 1.00 25.12 H new ATOM 0 HD3 PRO A 59 12.550 6.203 -3.754 1.00 25.12 H new ATOM 799 N VAL A 60 11.431 10.511 -0.691 1.00 72.53 N ATOM 800 CA VAL A 60 10.362 11.474 -0.509 1.00 65.24 C ATOM 801 C VAL A 60 10.037 12.128 -1.851 1.00 34.14 C ATOM 802 O VAL A 60 10.930 12.570 -2.580 1.00 63.25 O ATOM 803 CB VAL A 60 10.696 12.550 0.567 1.00 15.32 C ATOM 804 CG1 VAL A 60 11.023 11.888 1.897 1.00 52.23 C ATOM 805 CG2 VAL A 60 11.842 13.454 0.130 1.00 13.52 C ATOM 0 H VAL A 60 12.358 10.837 -0.420 1.00 72.53 H new ATOM 0 HA VAL A 60 9.489 10.937 -0.139 1.00 65.24 H new ATOM 0 HB VAL A 60 9.812 13.176 0.688 1.00 15.32 H new ATOM 0 HG11 VAL A 60 11.254 12.654 2.638 1.00 52.23 H new ATOM 0 HG12 VAL A 60 10.166 11.305 2.233 1.00 52.23 H new ATOM 0 HG13 VAL A 60 11.884 11.231 1.774 1.00 52.23 H new ATOM 0 HG21 VAL A 60 12.042 14.190 0.909 1.00 13.52 H new ATOM 0 HG22 VAL A 60 12.735 12.853 -0.040 1.00 13.52 H new ATOM 0 HG23 VAL A 60 11.569 13.967 -0.792 1.00 13.52 H new ATOM 815 N LEU A 61 8.765 12.162 -2.181 1.00 12.20 N ATOM 816 CA LEU A 61 8.334 12.635 -3.481 1.00 40.31 C ATOM 817 C LEU A 61 8.032 14.133 -3.479 1.00 41.23 C ATOM 818 O LEU A 61 7.334 14.647 -2.596 1.00 52.04 O ATOM 819 CB LEU A 61 7.110 11.828 -3.934 1.00 11.24 C ATOM 820 CG LEU A 61 6.565 12.131 -5.333 1.00 71.45 C ATOM 821 CD1 LEU A 61 7.653 11.982 -6.381 1.00 2.42 C ATOM 822 CD2 LEU A 61 5.407 11.200 -5.649 1.00 33.42 C ATOM 0 H LEU A 61 8.007 11.867 -1.565 1.00 12.20 H new ATOM 0 HA LEU A 61 9.151 12.485 -4.187 1.00 40.31 H new ATOM 0 HB2 LEU A 61 7.365 10.769 -3.890 1.00 11.24 H new ATOM 0 HB3 LEU A 61 6.309 11.992 -3.214 1.00 11.24 H new ATOM 0 HG LEU A 61 6.213 13.162 -5.350 1.00 71.45 H new ATOM 0 HD11 LEU A 61 7.242 12.202 -7.366 1.00 2.42 H new ATOM 0 HD12 LEU A 61 8.465 12.676 -6.163 1.00 2.42 H new ATOM 0 HD13 LEU A 61 8.034 10.961 -6.367 1.00 2.42 H new ATOM 0 HD21 LEU A 61 5.024 11.421 -6.645 1.00 33.42 H new ATOM 0 HD22 LEU A 61 5.751 10.166 -5.613 1.00 33.42 H new ATOM 0 HD23 LEU A 61 4.614 11.344 -4.915 1.00 33.42 H new ATOM 834 N SER A 62 8.600 14.830 -4.448 1.00 62.01 N ATOM 835 CA SER A 62 8.357 16.245 -4.632 1.00 24.12 C ATOM 836 C SER A 62 8.097 16.542 -6.110 1.00 75.12 C ATOM 837 O SER A 62 8.976 17.032 -6.828 1.00 35.25 O ATOM 838 CB SER A 62 9.535 17.073 -4.095 1.00 2.13 C ATOM 839 OG SER A 62 10.783 16.565 -4.561 1.00 50.42 O ATOM 0 H SER A 62 9.244 14.427 -5.129 1.00 62.01 H new ATOM 0 HA SER A 62 7.471 16.529 -4.064 1.00 24.12 H new ATOM 0 HB2 SER A 62 9.424 18.111 -4.407 1.00 2.13 H new ATOM 0 HB3 SER A 62 9.521 17.064 -3.005 1.00 2.13 H new ATOM 0 HG SER A 62 10.770 16.513 -5.540 1.00 50.42 H new ATOM 845 N ALA A 63 6.913 16.191 -6.567 1.00 41.11 N ATOM 846 CA ALA A 63 6.535 16.387 -7.955 1.00 15.34 C ATOM 847 C ALA A 63 5.122 16.948 -8.048 1.00 52.20 C ATOM 848 O ALA A 63 4.317 16.751 -7.130 1.00 20.33 O ATOM 849 CB ALA A 63 6.641 15.067 -8.715 1.00 50.43 C ATOM 0 H ALA A 63 6.187 15.764 -5.992 1.00 41.11 H new ATOM 0 HA ALA A 63 7.217 17.107 -8.408 1.00 15.34 H new ATOM 0 HB1 ALA A 63 6.356 15.222 -9.755 1.00 50.43 H new ATOM 0 HB2 ALA A 63 7.667 14.703 -8.671 1.00 50.43 H new ATOM 0 HB3 ALA A 63 5.976 14.332 -8.262 1.00 50.43 H new ATOM 855 N PRO A 64 4.805 17.674 -9.143 1.00 44.50 N ATOM 856 CA PRO A 64 3.466 18.228 -9.367 1.00 21.41 C ATOM 857 C PRO A 64 2.382 17.151 -9.290 1.00 55.34 C ATOM 858 O PRO A 64 2.505 16.076 -9.893 1.00 43.11 O ATOM 859 CB PRO A 64 3.540 18.819 -10.789 1.00 12.55 C ATOM 860 CG PRO A 64 4.801 18.279 -11.379 1.00 25.21 C ATOM 861 CD PRO A 64 5.726 18.029 -10.230 1.00 21.13 C ATOM 0 HA PRO A 64 3.200 18.964 -8.609 1.00 21.41 H new ATOM 0 HB2 PRO A 64 2.673 18.527 -11.381 1.00 12.55 H new ATOM 0 HB3 PRO A 64 3.555 19.909 -10.761 1.00 12.55 H new ATOM 0 HG2 PRO A 64 4.609 17.359 -11.932 1.00 25.21 H new ATOM 0 HG3 PRO A 64 5.237 18.989 -12.082 1.00 25.21 H new ATOM 0 HD2 PRO A 64 6.429 17.224 -10.444 1.00 21.13 H new ATOM 0 HD3 PRO A 64 6.317 18.912 -9.987 1.00 21.13 H new ATOM 869 N LEU A 65 1.320 17.449 -8.565 1.00 53.22 N ATOM 870 CA LEU A 65 0.239 16.504 -8.358 1.00 44.34 C ATOM 871 C LEU A 65 -0.560 16.309 -9.637 1.00 21.20 C ATOM 872 O LEU A 65 -1.240 17.222 -10.107 1.00 34.21 O ATOM 873 CB LEU A 65 -0.674 16.991 -7.230 1.00 14.32 C ATOM 874 CG LEU A 65 0.016 17.264 -5.889 1.00 71.33 C ATOM 875 CD1 LEU A 65 -0.961 17.866 -4.899 1.00 34.00 C ATOM 876 CD2 LEU A 65 0.625 15.989 -5.325 1.00 44.13 C ATOM 0 H LEU A 65 1.183 18.349 -8.105 1.00 53.22 H new ATOM 0 HA LEU A 65 0.669 15.543 -8.076 1.00 44.34 H new ATOM 0 HB2 LEU A 65 -1.168 17.906 -7.557 1.00 14.32 H new ATOM 0 HB3 LEU A 65 -1.454 16.246 -7.072 1.00 14.32 H new ATOM 0 HG LEU A 65 0.820 17.980 -6.061 1.00 71.33 H new ATOM 0 HD11 LEU A 65 -0.452 18.053 -3.953 1.00 34.00 H new ATOM 0 HD12 LEU A 65 -1.347 18.805 -5.295 1.00 34.00 H new ATOM 0 HD13 LEU A 65 -1.787 17.174 -4.736 1.00 34.00 H new ATOM 0 HD21 LEU A 65 1.109 16.207 -4.373 1.00 44.13 H new ATOM 0 HD22 LEU A 65 -0.160 15.248 -5.172 1.00 44.13 H new ATOM 0 HD23 LEU A 65 1.362 15.597 -6.026 1.00 44.13 H new ATOM 888 N GLY A 66 -0.450 15.123 -10.204 1.00 44.32 N ATOM 889 CA GLY A 66 -1.151 14.813 -11.429 1.00 55.33 C ATOM 890 C GLY A 66 -0.199 14.399 -12.520 1.00 64.22 C ATOM 891 O GLY A 66 -0.561 13.636 -13.422 1.00 13.52 O ATOM 0 H GLY A 66 0.118 14.361 -9.834 1.00 44.32 H new ATOM 0 HA2 GLY A 66 -1.868 14.012 -11.247 1.00 55.33 H new ATOM 0 HA3 GLY A 66 -1.721 15.683 -11.753 1.00 55.33 H new ATOM 895 N SER A 67 1.020 14.908 -12.437 1.00 65.53 N ATOM 896 CA SER A 67 2.065 14.599 -13.397 1.00 62.25 C ATOM 897 C SER A 67 2.347 13.098 -13.434 1.00 73.25 C ATOM 898 O SER A 67 2.209 12.402 -12.419 1.00 4.32 O ATOM 899 CB SER A 67 3.342 15.369 -13.038 1.00 75.13 C ATOM 900 OG SER A 67 4.402 15.066 -13.928 1.00 44.51 O ATOM 0 H SER A 67 1.312 15.549 -11.699 1.00 65.53 H new ATOM 0 HA SER A 67 1.727 14.903 -14.387 1.00 62.25 H new ATOM 0 HB2 SER A 67 3.141 16.440 -13.062 1.00 75.13 H new ATOM 0 HB3 SER A 67 3.641 15.124 -12.019 1.00 75.13 H new ATOM 0 HG SER A 67 5.200 15.575 -13.672 1.00 44.51 H new ATOM 906 N HIS A 68 2.748 12.598 -14.597 1.00 21.03 N ATOM 907 CA HIS A 68 3.077 11.192 -14.734 1.00 32.43 C ATOM 908 C HIS A 68 4.339 10.870 -13.966 1.00 12.20 C ATOM 909 O HIS A 68 4.492 9.768 -13.470 1.00 2.23 O ATOM 910 CB HIS A 68 3.214 10.779 -16.201 1.00 61.13 C ATOM 911 CG HIS A 68 1.900 10.570 -16.892 1.00 42.23 C ATOM 912 ND1 HIS A 68 1.250 11.558 -17.592 1.00 11.40 N ATOM 913 CD2 HIS A 68 1.115 9.471 -16.983 1.00 64.25 C ATOM 914 CE1 HIS A 68 0.122 11.080 -18.082 1.00 13.42 C ATOM 915 NE2 HIS A 68 0.016 9.815 -17.729 1.00 64.44 N ATOM 0 H HIS A 68 2.851 13.145 -15.452 1.00 21.03 H new ATOM 0 HA HIS A 68 2.253 10.617 -14.313 1.00 32.43 H new ATOM 0 HB2 HIS A 68 3.777 11.545 -16.734 1.00 61.13 H new ATOM 0 HB3 HIS A 68 3.795 9.859 -16.258 1.00 61.13 H new ATOM 0 HD2 HIS A 68 1.316 8.503 -16.549 1.00 64.25 H new ATOM 0 HE1 HIS A 68 -0.594 11.632 -18.673 1.00 13.42 H new ATOM 0 HE2 HIS A 68 -0.756 9.194 -17.971 1.00 64.44 H new ATOM 924 N GLU A 69 5.235 11.855 -13.852 1.00 44.20 N ATOM 925 CA GLU A 69 6.464 11.683 -13.073 1.00 23.24 C ATOM 926 C GLU A 69 6.112 11.374 -11.626 1.00 11.23 C ATOM 927 O GLU A 69 6.739 10.526 -10.977 1.00 41.03 O ATOM 928 CB GLU A 69 7.326 12.944 -13.132 1.00 53.11 C ATOM 929 CG GLU A 69 7.802 13.306 -14.523 1.00 21.12 C ATOM 930 CD GLU A 69 8.691 14.526 -14.524 1.00 70.11 C ATOM 931 OE1 GLU A 69 9.917 14.373 -14.344 1.00 33.33 O ATOM 932 OE2 GLU A 69 8.174 15.644 -14.703 1.00 71.32 O ATOM 0 H GLU A 69 5.134 12.773 -14.286 1.00 44.20 H new ATOM 0 HA GLU A 69 7.031 10.856 -13.500 1.00 23.24 H new ATOM 0 HB2 GLU A 69 6.756 13.780 -12.726 1.00 53.11 H new ATOM 0 HB3 GLU A 69 8.194 12.808 -12.487 1.00 53.11 H new ATOM 0 HG2 GLU A 69 8.345 12.463 -14.950 1.00 21.12 H new ATOM 0 HG3 GLU A 69 6.939 13.487 -15.164 1.00 21.12 H new ATOM 939 N TRP A 70 5.096 12.067 -11.134 1.00 13.53 N ATOM 940 CA TRP A 70 4.590 11.857 -9.794 1.00 74.42 C ATOM 941 C TRP A 70 3.973 10.469 -9.687 1.00 2.12 C ATOM 942 O TRP A 70 4.251 9.736 -8.742 1.00 72.41 O ATOM 943 CB TRP A 70 3.529 12.937 -9.492 1.00 60.43 C ATOM 944 CG TRP A 70 2.927 12.872 -8.118 1.00 1.22 C ATOM 945 CD1 TRP A 70 3.366 13.523 -7.004 1.00 24.03 C ATOM 946 CD2 TRP A 70 1.762 12.133 -7.716 1.00 74.54 C ATOM 947 NE1 TRP A 70 2.561 13.224 -5.937 1.00 43.41 N ATOM 948 CE2 TRP A 70 1.569 12.375 -6.346 1.00 31.40 C ATOM 949 CE3 TRP A 70 0.870 11.286 -8.383 1.00 5.52 C ATOM 950 CZ2 TRP A 70 0.520 11.804 -5.627 1.00 54.33 C ATOM 951 CZ3 TRP A 70 -0.170 10.720 -7.669 1.00 32.20 C ATOM 952 CH2 TRP A 70 -0.337 10.983 -6.305 1.00 20.10 C ATOM 0 H TRP A 70 4.602 12.790 -11.656 1.00 13.53 H new ATOM 0 HA TRP A 70 5.403 11.930 -9.072 1.00 74.42 H new ATOM 0 HB2 TRP A 70 3.984 13.918 -9.626 1.00 60.43 H new ATOM 0 HB3 TRP A 70 2.728 12.853 -10.227 1.00 60.43 H new ATOM 0 HD1 TRP A 70 4.223 14.179 -6.968 1.00 24.03 H new ATOM 0 HE1 TRP A 70 2.682 13.578 -4.988 1.00 43.41 H new ATOM 0 HE3 TRP A 70 0.992 11.078 -9.436 1.00 5.52 H new ATOM 0 HZ2 TRP A 70 0.389 12.003 -4.574 1.00 54.33 H new ATOM 0 HZ3 TRP A 70 -0.865 10.064 -8.172 1.00 32.20 H new ATOM 0 HH2 TRP A 70 -1.161 10.527 -5.776 1.00 20.10 H new ATOM 963 N GLN A 71 3.167 10.104 -10.674 1.00 52.32 N ATOM 964 CA GLN A 71 2.522 8.798 -10.694 1.00 12.25 C ATOM 965 C GLN A 71 3.549 7.664 -10.753 1.00 55.25 C ATOM 966 O GLN A 71 3.466 6.711 -9.982 1.00 34.22 O ATOM 967 CB GLN A 71 1.563 8.704 -11.871 1.00 1.34 C ATOM 968 CG GLN A 71 0.393 9.660 -11.771 1.00 44.45 C ATOM 969 CD GLN A 71 -0.566 9.517 -12.923 1.00 34.12 C ATOM 970 OE1 GLN A 71 -0.172 9.191 -14.043 1.00 5.52 O ATOM 971 NE2 GLN A 71 -1.832 9.742 -12.656 1.00 42.05 N ATOM 0 H GLN A 71 2.943 10.696 -11.474 1.00 52.32 H new ATOM 0 HA GLN A 71 1.961 8.689 -9.766 1.00 12.25 H new ATOM 0 HB2 GLN A 71 2.109 8.905 -12.792 1.00 1.34 H new ATOM 0 HB3 GLN A 71 1.184 7.684 -11.941 1.00 1.34 H new ATOM 0 HG2 GLN A 71 -0.138 9.483 -10.836 1.00 44.45 H new ATOM 0 HG3 GLN A 71 0.766 10.684 -11.737 1.00 44.45 H new ATOM 0 HE21 GLN A 71 -2.115 10.010 -11.713 1.00 42.05 H new ATOM 0 HE22 GLN A 71 -2.533 9.649 -13.391 1.00 42.05 H new ATOM 980 N GLN A 72 4.493 7.767 -11.693 1.00 21.42 N ATOM 981 CA GLN A 72 5.583 6.790 -11.846 1.00 31.11 C ATOM 982 C GLN A 72 6.300 6.542 -10.524 1.00 11.14 C ATOM 983 O GLN A 72 6.440 5.403 -10.087 1.00 4.20 O ATOM 984 CB GLN A 72 6.600 7.284 -12.884 1.00 74.12 C ATOM 985 CG GLN A 72 6.090 7.300 -14.318 1.00 34.24 C ATOM 986 CD GLN A 72 6.011 5.917 -14.927 1.00 23.51 C ATOM 987 OE1 GLN A 72 4.995 5.240 -14.840 1.00 42.33 O ATOM 988 NE2 GLN A 72 7.086 5.495 -15.559 1.00 3.41 N ATOM 0 H GLN A 72 4.526 8.529 -12.371 1.00 21.42 H new ATOM 0 HA GLN A 72 5.137 5.854 -12.182 1.00 31.11 H new ATOM 0 HB2 GLN A 72 6.914 8.292 -12.613 1.00 74.12 H new ATOM 0 HB3 GLN A 72 7.485 6.650 -12.835 1.00 74.12 H new ATOM 0 HG2 GLN A 72 5.102 7.760 -14.342 1.00 34.24 H new ATOM 0 HG3 GLN A 72 6.747 7.923 -14.926 1.00 34.24 H new ATOM 0 HE21 GLN A 72 7.914 6.089 -15.610 1.00 3.41 H new ATOM 0 HE22 GLN A 72 7.091 4.574 -15.998 1.00 3.41 H new ATOM 997 N THR A 73 6.739 7.619 -9.892 1.00 11.22 N ATOM 998 CA THR A 73 7.472 7.522 -8.643 1.00 73.14 C ATOM 999 C THR A 73 6.575 6.992 -7.514 1.00 20.34 C ATOM 1000 O THR A 73 7.004 6.182 -6.692 1.00 73.23 O ATOM 1001 CB THR A 73 8.061 8.891 -8.238 1.00 22.22 C ATOM 1002 OG1 THR A 73 8.731 9.485 -9.368 1.00 45.42 O ATOM 1003 CG2 THR A 73 9.055 8.730 -7.094 1.00 71.10 C ATOM 0 H THR A 73 6.599 8.573 -10.226 1.00 11.22 H new ATOM 0 HA THR A 73 8.290 6.819 -8.801 1.00 73.14 H new ATOM 0 HB THR A 73 7.245 9.535 -7.910 1.00 22.22 H new ATOM 0 HG1 THR A 73 8.070 9.912 -9.952 1.00 45.42 H new ATOM 0 HG21 THR A 73 9.459 9.705 -6.823 1.00 71.10 H new ATOM 0 HG22 THR A 73 8.550 8.294 -6.232 1.00 71.10 H new ATOM 0 HG23 THR A 73 9.868 8.075 -7.408 1.00 71.10 H new ATOM 1011 N PHE A 74 5.345 7.467 -7.478 1.00 72.13 N ATOM 1012 CA PHE A 74 4.385 7.039 -6.475 1.00 51.32 C ATOM 1013 C PHE A 74 4.033 5.550 -6.599 1.00 65.33 C ATOM 1014 O PHE A 74 4.256 4.773 -5.674 1.00 32.04 O ATOM 1015 CB PHE A 74 3.104 7.891 -6.558 1.00 64.02 C ATOM 1016 CG PHE A 74 1.976 7.393 -5.693 1.00 2.41 C ATOM 1017 CD1 PHE A 74 1.965 7.639 -4.332 1.00 53.30 C ATOM 1018 CD2 PHE A 74 0.929 6.668 -6.245 1.00 21.00 C ATOM 1019 CE1 PHE A 74 0.935 7.176 -3.538 1.00 12.40 C ATOM 1020 CE2 PHE A 74 -0.102 6.201 -5.458 1.00 33.41 C ATOM 1021 CZ PHE A 74 -0.098 6.454 -4.102 1.00 30.44 C ATOM 0 H PHE A 74 4.983 8.156 -8.138 1.00 72.13 H new ATOM 0 HA PHE A 74 4.856 7.183 -5.503 1.00 51.32 H new ATOM 0 HB2 PHE A 74 3.343 8.915 -6.271 1.00 64.02 H new ATOM 0 HB3 PHE A 74 2.767 7.921 -7.594 1.00 64.02 H new ATOM 0 HD1 PHE A 74 2.772 8.200 -3.885 1.00 53.30 H new ATOM 0 HD2 PHE A 74 0.922 6.467 -7.306 1.00 21.00 H new ATOM 0 HE1 PHE A 74 0.937 7.378 -2.477 1.00 12.40 H new ATOM 0 HE2 PHE A 74 -0.910 5.639 -5.902 1.00 33.41 H new ATOM 0 HZ PHE A 74 -0.903 6.087 -3.482 1.00 30.44 H new ATOM 1031 N SER A 75 3.491 5.161 -7.737 1.00 72.41 N ATOM 1032 CA SER A 75 2.971 3.813 -7.949 1.00 34.44 C ATOM 1033 C SER A 75 4.040 2.716 -8.131 1.00 44.43 C ATOM 1034 O SER A 75 3.690 1.577 -8.436 1.00 14.51 O ATOM 1035 CB SER A 75 2.029 3.824 -9.151 1.00 1.51 C ATOM 1036 OG SER A 75 1.056 4.850 -9.018 1.00 73.33 O ATOM 0 H SER A 75 3.396 5.771 -8.549 1.00 72.41 H new ATOM 0 HA SER A 75 2.448 3.548 -7.030 1.00 34.44 H new ATOM 0 HB2 SER A 75 2.601 3.975 -10.066 1.00 1.51 H new ATOM 0 HB3 SER A 75 1.535 2.857 -9.241 1.00 1.51 H new ATOM 0 HG SER A 75 1.446 5.708 -9.287 1.00 73.33 H new ATOM 1042 N GLN A 76 5.316 3.007 -7.914 1.00 53.24 N ATOM 1043 CA GLN A 76 6.345 1.989 -8.151 1.00 21.40 C ATOM 1044 C GLN A 76 6.557 1.172 -6.878 1.00 62.10 C ATOM 1045 O GLN A 76 7.119 0.076 -6.902 1.00 32.51 O ATOM 1046 CB GLN A 76 7.664 2.643 -8.569 1.00 12.22 C ATOM 1047 CG GLN A 76 8.280 3.511 -7.487 1.00 4.01 C ATOM 1048 CD GLN A 76 9.553 4.195 -7.925 1.00 44.52 C ATOM 1049 OE1 GLN A 76 10.302 3.680 -8.747 1.00 1.13 O ATOM 1050 NE2 GLN A 76 9.804 5.363 -7.376 1.00 43.15 N ATOM 0 H GLN A 76 5.662 3.908 -7.585 1.00 53.24 H new ATOM 0 HA GLN A 76 6.011 1.335 -8.956 1.00 21.40 H new ATOM 0 HB2 GLN A 76 8.374 1.864 -8.847 1.00 12.22 H new ATOM 0 HB3 GLN A 76 7.493 3.251 -9.458 1.00 12.22 H new ATOM 0 HG2 GLN A 76 7.556 4.266 -7.181 1.00 4.01 H new ATOM 0 HG3 GLN A 76 8.489 2.896 -6.612 1.00 4.01 H new ATOM 0 HE21 GLN A 76 9.154 5.757 -6.695 1.00 43.15 H new ATOM 0 HE22 GLN A 76 10.648 5.875 -7.631 1.00 43.15 H new ATOM 1059 N GLN A 77 6.060 1.713 -5.774 1.00 14.12 N ATOM 1060 CA GLN A 77 6.221 1.085 -4.471 1.00 45.53 C ATOM 1061 C GLN A 77 5.362 -0.167 -4.352 1.00 64.31 C ATOM 1062 O GLN A 77 5.619 -1.030 -3.524 1.00 4.21 O ATOM 1063 CB GLN A 77 5.930 2.064 -3.334 1.00 2.23 C ATOM 1064 CG GLN A 77 4.603 2.772 -3.448 1.00 12.24 C ATOM 1065 CD GLN A 77 4.386 3.770 -2.336 1.00 12.04 C ATOM 1066 OE1 GLN A 77 4.835 3.577 -1.209 1.00 22.21 O ATOM 1067 NE2 GLN A 77 3.724 4.855 -2.656 1.00 51.11 N ATOM 0 H GLN A 77 5.539 2.590 -5.756 1.00 14.12 H new ATOM 0 HA GLN A 77 7.265 0.783 -4.383 1.00 45.53 H new ATOM 0 HB2 GLN A 77 5.960 1.523 -2.388 1.00 2.23 H new ATOM 0 HB3 GLN A 77 6.724 2.810 -3.300 1.00 2.23 H new ATOM 0 HG2 GLN A 77 4.549 3.285 -4.408 1.00 12.24 H new ATOM 0 HG3 GLN A 77 3.799 2.036 -3.434 1.00 12.24 H new ATOM 0 HE21 GLN A 77 3.368 4.974 -3.605 1.00 51.11 H new ATOM 0 HE22 GLN A 77 3.564 5.580 -1.956 1.00 51.11 H new ATOM 1076 N VAL A 78 4.369 -0.285 -5.224 1.00 30.24 N ATOM 1077 CA VAL A 78 3.444 -1.409 -5.174 1.00 12.54 C ATOM 1078 C VAL A 78 4.105 -2.656 -5.739 1.00 53.21 C ATOM 1079 O VAL A 78 3.830 -3.777 -5.302 1.00 1.13 O ATOM 1080 CB VAL A 78 2.146 -1.102 -5.956 1.00 3.23 C ATOM 1081 CG1 VAL A 78 1.121 -2.212 -5.763 1.00 73.34 C ATOM 1082 CG2 VAL A 78 1.571 0.242 -5.528 1.00 15.21 C ATOM 0 H VAL A 78 4.184 0.382 -5.973 1.00 30.24 H new ATOM 0 HA VAL A 78 3.180 -1.581 -4.130 1.00 12.54 H new ATOM 0 HB VAL A 78 2.391 -1.050 -7.017 1.00 3.23 H new ATOM 0 HG11 VAL A 78 0.217 -1.973 -6.323 1.00 73.34 H new ATOM 0 HG12 VAL A 78 1.533 -3.154 -6.124 1.00 73.34 H new ATOM 0 HG13 VAL A 78 0.879 -2.304 -4.704 1.00 73.34 H new ATOM 0 HG21 VAL A 78 0.658 0.442 -6.088 1.00 15.21 H new ATOM 0 HG22 VAL A 78 1.345 0.218 -4.462 1.00 15.21 H new ATOM 0 HG23 VAL A 78 2.299 1.029 -5.727 1.00 15.21 H new ATOM 1092 N MET A 79 5.013 -2.452 -6.679 1.00 44.42 N ATOM 1093 CA MET A 79 5.766 -3.552 -7.261 1.00 65.54 C ATOM 1094 C MET A 79 6.839 -4.000 -6.269 1.00 52.01 C ATOM 1095 O MET A 79 7.449 -5.053 -6.415 1.00 53.21 O ATOM 1096 CB MET A 79 6.403 -3.118 -8.584 1.00 14.35 C ATOM 1097 CG MET A 79 5.394 -2.649 -9.623 1.00 12.42 C ATOM 1098 SD MET A 79 6.170 -1.994 -11.114 1.00 62.22 S ATOM 1099 CE MET A 79 7.011 -3.448 -11.734 1.00 75.44 C ATOM 0 H MET A 79 5.247 -1.534 -7.056 1.00 44.42 H new ATOM 0 HA MET A 79 5.095 -4.386 -7.468 1.00 65.54 H new ATOM 0 HB2 MET A 79 7.112 -2.313 -8.389 1.00 14.35 H new ATOM 0 HB3 MET A 79 6.973 -3.952 -8.994 1.00 14.35 H new ATOM 0 HG2 MET A 79 4.746 -3.482 -9.894 1.00 12.42 H new ATOM 0 HG3 MET A 79 4.759 -1.880 -9.183 1.00 12.42 H new ATOM 0 HE1 MET A 79 7.325 -3.276 -12.764 1.00 75.44 H new ATOM 0 HE2 MET A 79 7.886 -3.653 -11.117 1.00 75.44 H new ATOM 0 HE3 MET A 79 6.335 -4.302 -11.699 1.00 75.44 H new ATOM 1109 N LEU A 80 7.037 -3.175 -5.253 1.00 53.43 N ATOM 1110 CA LEU A 80 7.989 -3.454 -4.197 1.00 73.11 C ATOM 1111 C LEU A 80 7.299 -4.213 -3.063 1.00 14.14 C ATOM 1112 O LEU A 80 7.865 -5.155 -2.500 1.00 32.32 O ATOM 1113 CB LEU A 80 8.601 -2.149 -3.679 1.00 51.02 C ATOM 1114 CG LEU A 80 9.633 -2.286 -2.556 1.00 50.22 C ATOM 1115 CD1 LEU A 80 10.837 -3.091 -3.022 1.00 74.44 C ATOM 1116 CD2 LEU A 80 10.064 -0.913 -2.068 1.00 43.41 C ATOM 0 H LEU A 80 6.539 -2.292 -5.140 1.00 53.43 H new ATOM 0 HA LEU A 80 8.792 -4.075 -4.595 1.00 73.11 H new ATOM 0 HB2 LEU A 80 9.072 -1.635 -4.517 1.00 51.02 H new ATOM 0 HB3 LEU A 80 7.793 -1.508 -3.326 1.00 51.02 H new ATOM 0 HG LEU A 80 9.170 -2.821 -1.727 1.00 50.22 H new ATOM 0 HD11 LEU A 80 11.556 -3.175 -2.207 1.00 74.44 H new ATOM 0 HD12 LEU A 80 10.514 -4.087 -3.324 1.00 74.44 H new ATOM 0 HD13 LEU A 80 11.305 -2.589 -3.869 1.00 74.44 H new ATOM 0 HD21 LEU A 80 10.798 -1.024 -1.270 1.00 43.41 H new ATOM 0 HD22 LEU A 80 10.508 -0.356 -2.893 1.00 43.41 H new ATOM 0 HD23 LEU A 80 9.196 -0.372 -1.690 1.00 43.41 H new ATOM 1128 N PHE A 81 6.073 -3.787 -2.736 1.00 52.15 N ATOM 1129 CA PHE A 81 5.265 -4.429 -1.687 1.00 22.43 C ATOM 1130 C PHE A 81 5.213 -5.944 -1.859 1.00 43.41 C ATOM 1131 O PHE A 81 5.518 -6.691 -0.929 1.00 73.35 O ATOM 1132 CB PHE A 81 3.829 -3.884 -1.676 1.00 2.11 C ATOM 1133 CG PHE A 81 3.704 -2.409 -1.408 1.00 25.53 C ATOM 1134 CD1 PHE A 81 4.661 -1.730 -0.674 1.00 21.15 C ATOM 1135 CD2 PHE A 81 2.613 -1.703 -1.891 1.00 35.21 C ATOM 1136 CE1 PHE A 81 4.535 -0.379 -0.430 1.00 11.52 C ATOM 1137 CE2 PHE A 81 2.482 -0.352 -1.650 1.00 3.24 C ATOM 1138 CZ PHE A 81 3.442 0.311 -0.920 1.00 62.44 C ATOM 0 H PHE A 81 5.614 -2.995 -3.186 1.00 52.15 H new ATOM 0 HA PHE A 81 5.751 -4.195 -0.740 1.00 22.43 H new ATOM 0 HB2 PHE A 81 3.368 -4.102 -2.639 1.00 2.11 H new ATOM 0 HB3 PHE A 81 3.259 -4.424 -0.920 1.00 2.11 H new ATOM 0 HD1 PHE A 81 5.516 -2.265 -0.288 1.00 21.15 H new ATOM 0 HD2 PHE A 81 1.856 -2.218 -2.464 1.00 35.21 H new ATOM 0 HE1 PHE A 81 5.289 0.140 0.143 1.00 11.52 H new ATOM 0 HE2 PHE A 81 1.627 0.185 -2.034 1.00 3.24 H new ATOM 0 HZ PHE A 81 3.341 1.369 -0.730 1.00 62.44 H new ATOM 1148 N THR A 82 4.842 -6.390 -3.054 1.00 50.03 N ATOM 1149 CA THR A 82 4.706 -7.814 -3.333 1.00 21.43 C ATOM 1150 C THR A 82 6.048 -8.553 -3.217 1.00 1.31 C ATOM 1151 O THR A 82 6.078 -9.761 -2.999 1.00 35.04 O ATOM 1152 CB THR A 82 4.074 -8.070 -4.733 1.00 43.02 C ATOM 1153 OG1 THR A 82 3.870 -9.479 -4.940 1.00 53.31 O ATOM 1154 CG2 THR A 82 4.956 -7.514 -5.846 1.00 60.10 C ATOM 0 H THR A 82 4.630 -5.784 -3.846 1.00 50.03 H new ATOM 0 HA THR A 82 4.033 -8.212 -2.574 1.00 21.43 H new ATOM 0 HB THR A 82 3.113 -7.556 -4.762 1.00 43.02 H new ATOM 0 HG1 THR A 82 3.471 -9.626 -5.823 1.00 53.31 H new ATOM 0 HG21 THR A 82 4.489 -7.708 -6.812 1.00 60.10 H new ATOM 0 HG22 THR A 82 5.078 -6.439 -5.711 1.00 60.10 H new ATOM 0 HG23 THR A 82 5.933 -7.997 -5.812 1.00 60.10 H new ATOM 1162 N ARG A 83 7.148 -7.828 -3.355 1.00 71.55 N ATOM 1163 CA ARG A 83 8.463 -8.434 -3.257 1.00 70.00 C ATOM 1164 C ARG A 83 8.818 -8.745 -1.809 1.00 45.13 C ATOM 1165 O ARG A 83 9.127 -9.889 -1.468 1.00 73.40 O ATOM 1166 CB ARG A 83 9.534 -7.535 -3.870 1.00 61.31 C ATOM 1167 CG ARG A 83 9.414 -7.355 -5.373 1.00 53.11 C ATOM 1168 CD ARG A 83 10.579 -6.550 -5.915 1.00 33.20 C ATOM 1169 NE ARG A 83 11.862 -7.190 -5.610 1.00 10.14 N ATOM 1170 CZ ARG A 83 12.927 -6.560 -5.103 1.00 54.03 C ATOM 1171 NH1 ARG A 83 12.879 -5.256 -4.853 1.00 54.23 N ATOM 1172 NH2 ARG A 83 14.034 -7.237 -4.845 1.00 74.33 N ATOM 0 H ARG A 83 7.154 -6.824 -3.534 1.00 71.55 H new ATOM 0 HA ARG A 83 8.430 -9.368 -3.818 1.00 70.00 H new ATOM 0 HB2 ARG A 83 9.486 -6.556 -3.394 1.00 61.31 H new ATOM 0 HB3 ARG A 83 10.515 -7.952 -3.643 1.00 61.31 H new ATOM 0 HG2 ARG A 83 9.383 -8.330 -5.859 1.00 53.11 H new ATOM 0 HG3 ARG A 83 8.477 -6.851 -5.610 1.00 53.11 H new ATOM 0 HD2 ARG A 83 10.474 -6.438 -6.994 1.00 33.20 H new ATOM 0 HD3 ARG A 83 10.560 -5.548 -5.487 1.00 33.20 H new ATOM 0 HE ARG A 83 11.949 -8.189 -5.798 1.00 10.14 H new ATOM 0 HH11 ARG A 83 12.027 -4.730 -5.048 1.00 54.23 H new ATOM 0 HH12 ARG A 83 13.694 -4.781 -4.466 1.00 54.23 H new ATOM 0 HH21 ARG A 83 14.075 -8.239 -5.033 1.00 74.33 H new ATOM 0 HH22 ARG A 83 14.847 -6.757 -4.458 1.00 74.33 H new ATOM 1186 N GLN A 84 8.769 -7.728 -0.956 1.00 32.21 N ATOM 1187 CA GLN A 84 9.134 -7.890 0.450 1.00 23.31 C ATOM 1188 C GLN A 84 8.033 -8.558 1.257 1.00 32.12 C ATOM 1189 O GLN A 84 8.285 -9.078 2.337 1.00 12.14 O ATOM 1190 CB GLN A 84 9.498 -6.543 1.070 1.00 20.34 C ATOM 1191 CG GLN A 84 10.730 -5.904 0.453 1.00 60.21 C ATOM 1192 CD GLN A 84 11.982 -6.759 0.603 1.00 23.22 C ATOM 1193 OE1 GLN A 84 12.077 -7.503 1.692 1.00 14.40 O flip ATOM 1194 NE2 GLN A 84 12.867 -6.733 -0.252 1.00 70.04 N flip ATOM 0 H GLN A 84 8.481 -6.783 -1.211 1.00 32.21 H new ATOM 0 HA GLN A 84 10.005 -8.545 0.479 1.00 23.31 H new ATOM 0 HB2 GLN A 84 8.653 -5.863 0.962 1.00 20.34 H new ATOM 0 HB3 GLN A 84 9.665 -6.677 2.139 1.00 20.34 H new ATOM 0 HG2 GLN A 84 10.546 -5.721 -0.606 1.00 60.21 H new ATOM 0 HG3 GLN A 84 10.901 -4.934 0.919 1.00 60.21 H new ATOM 0 HE21 GLN A 84 12.759 -6.147 -1.080 1.00 70.04 H new ATOM 0 HE22 GLN A 84 13.708 -7.298 -0.133 1.00 70.04 H new ATOM 1203 N GLY A 85 6.820 -8.536 0.741 1.00 63.13 N ATOM 1204 CA GLY A 85 5.719 -9.169 1.436 1.00 61.45 C ATOM 1205 C GLY A 85 5.120 -8.280 2.502 1.00 12.31 C ATOM 1206 O GLY A 85 4.483 -8.761 3.439 1.00 44.23 O ATOM 0 H GLY A 85 6.574 -8.093 -0.144 1.00 63.13 H new ATOM 0 HA2 GLY A 85 4.946 -9.439 0.716 1.00 61.45 H new ATOM 0 HA3 GLY A 85 6.067 -10.095 1.893 1.00 61.45 H new ATOM 1210 N GLN A 86 5.336 -6.982 2.366 1.00 23.21 N ATOM 1211 CA GLN A 86 4.786 -6.016 3.303 1.00 0.11 C ATOM 1212 C GLN A 86 3.336 -5.712 2.926 1.00 72.22 C ATOM 1213 O GLN A 86 2.786 -6.349 2.028 1.00 32.31 O ATOM 1214 CB GLN A 86 5.639 -4.736 3.321 1.00 73.51 C ATOM 1215 CG GLN A 86 5.712 -4.006 1.990 1.00 13.30 C ATOM 1216 CD GLN A 86 6.664 -2.825 2.029 1.00 33.40 C ATOM 1217 OE1 GLN A 86 7.845 -2.955 1.718 1.00 15.33 O ATOM 1218 NE2 GLN A 86 6.161 -1.671 2.425 1.00 30.24 N ATOM 0 H GLN A 86 5.890 -6.572 1.614 1.00 23.21 H new ATOM 0 HA GLN A 86 4.804 -6.435 4.309 1.00 0.11 H new ATOM 0 HB2 GLN A 86 5.235 -4.056 4.072 1.00 73.51 H new ATOM 0 HB3 GLN A 86 6.650 -4.993 3.635 1.00 73.51 H new ATOM 0 HG2 GLN A 86 6.032 -4.702 1.214 1.00 13.30 H new ATOM 0 HG3 GLN A 86 4.717 -3.658 1.715 1.00 13.30 H new ATOM 0 HE21 GLN A 86 5.174 -1.604 2.675 1.00 30.24 H new ATOM 0 HE22 GLN A 86 6.759 -0.846 2.481 1.00 30.24 H new ATOM 1227 N GLN A 87 2.725 -4.736 3.576 1.00 5.21 N ATOM 1228 CA GLN A 87 1.332 -4.422 3.290 1.00 72.25 C ATOM 1229 C GLN A 87 0.962 -3.020 3.755 1.00 35.31 C ATOM 1230 O GLN A 87 -0.205 -2.645 3.747 1.00 52.34 O ATOM 1231 CB GLN A 87 0.402 -5.450 3.940 1.00 55.05 C ATOM 1232 CG GLN A 87 0.495 -5.500 5.457 1.00 52.21 C ATOM 1233 CD GLN A 87 -0.404 -6.560 6.048 1.00 44.44 C ATOM 1234 OE1 GLN A 87 -1.569 -6.303 6.365 1.00 4.14 O ATOM 1235 NE2 GLN A 87 0.124 -7.755 6.201 1.00 65.15 N ATOM 0 H GLN A 87 3.160 -4.156 4.293 1.00 5.21 H new ATOM 0 HA GLN A 87 1.208 -4.461 2.208 1.00 72.25 H new ATOM 0 HB2 GLN A 87 -0.626 -5.224 3.657 1.00 55.05 H new ATOM 0 HB3 GLN A 87 0.633 -6.437 3.540 1.00 55.05 H new ATOM 0 HG2 GLN A 87 1.526 -5.696 5.750 1.00 52.21 H new ATOM 0 HG3 GLN A 87 0.226 -4.527 5.868 1.00 52.21 H new ATOM 0 HE21 GLN A 87 1.091 -7.924 5.926 1.00 65.15 H new ATOM 0 HE22 GLN A 87 -0.434 -8.512 6.595 1.00 65.15 H new ATOM 1244 N SER A 88 1.944 -2.255 4.170 1.00 73.44 N ATOM 1245 CA SER A 88 1.708 -0.895 4.562 1.00 54.35 C ATOM 1246 C SER A 88 2.920 -0.052 4.245 1.00 41.10 C ATOM 1247 O SER A 88 4.059 -0.531 4.315 1.00 12.41 O ATOM 1248 CB SER A 88 1.373 -0.814 6.052 1.00 5.13 C ATOM 1249 OG SER A 88 0.945 0.491 6.407 1.00 23.12 O ATOM 0 H SER A 88 2.915 -2.557 4.243 1.00 73.44 H new ATOM 0 HA SER A 88 0.855 -0.511 4.002 1.00 54.35 H new ATOM 0 HB2 SER A 88 0.591 -1.535 6.292 1.00 5.13 H new ATOM 0 HB3 SER A 88 2.249 -1.086 6.641 1.00 5.13 H new ATOM 0 HG SER A 88 0.527 0.921 5.631 1.00 23.12 H new ATOM 1255 N ALA A 89 2.678 1.182 3.867 1.00 61.50 N ATOM 1256 CA ALA A 89 3.740 2.093 3.537 1.00 43.14 C ATOM 1257 C ALA A 89 3.317 3.522 3.780 1.00 3.25 C ATOM 1258 O ALA A 89 2.130 3.854 3.715 1.00 72.14 O ATOM 1259 CB ALA A 89 4.139 1.915 2.091 1.00 30.30 C ATOM 0 H ALA A 89 1.742 1.578 3.781 1.00 61.50 H new ATOM 0 HA ALA A 89 4.594 1.873 4.178 1.00 43.14 H new ATOM 0 HB1 ALA A 89 4.944 2.608 1.848 1.00 30.30 H new ATOM 0 HB2 ALA A 89 4.480 0.892 1.931 1.00 30.30 H new ATOM 0 HB3 ALA A 89 3.281 2.116 1.449 1.00 30.30 H new ATOM 1265 N GLN A 90 4.283 4.355 4.076 1.00 51.43 N ATOM 1266 CA GLN A 90 4.049 5.760 4.298 1.00 42.50 C ATOM 1267 C GLN A 90 4.949 6.561 3.377 1.00 63.22 C ATOM 1268 O GLN A 90 6.171 6.503 3.491 1.00 50.12 O ATOM 1269 CB GLN A 90 4.330 6.114 5.761 1.00 33.25 C ATOM 1270 CG GLN A 90 3.428 5.391 6.752 1.00 10.41 C ATOM 1271 CD GLN A 90 3.850 5.603 8.190 1.00 24.42 C ATOM 1272 OE1 GLN A 90 4.677 4.717 8.698 1.00 10.23 O flip ATOM 1273 NE2 GLN A 90 3.426 6.553 8.842 1.00 4.33 N flip ATOM 0 H GLN A 90 5.260 4.076 4.170 1.00 51.43 H new ATOM 0 HA GLN A 90 3.007 5.999 4.083 1.00 42.50 H new ATOM 0 HB2 GLN A 90 5.369 5.877 5.989 1.00 33.25 H new ATOM 0 HB3 GLN A 90 4.212 7.189 5.894 1.00 33.25 H new ATOM 0 HG2 GLN A 90 2.403 5.738 6.624 1.00 10.41 H new ATOM 0 HG3 GLN A 90 3.433 4.324 6.530 1.00 10.41 H new ATOM 0 HE21 GLN A 90 2.785 7.220 8.413 1.00 4.33 H new ATOM 0 HE22 GLN A 90 3.715 6.675 9.813 1.00 4.33 H new ATOM 1282 N LEU A 91 4.352 7.287 2.461 1.00 1.01 N ATOM 1283 CA LEU A 91 5.117 8.065 1.501 1.00 74.54 C ATOM 1284 C LEU A 91 4.929 9.547 1.753 1.00 23.11 C ATOM 1285 O LEU A 91 3.825 9.992 2.064 1.00 73.42 O ATOM 1286 CB LEU A 91 4.685 7.725 0.069 1.00 64.11 C ATOM 1287 CG LEU A 91 5.542 8.336 -1.044 1.00 54.45 C ATOM 1288 CD1 LEU A 91 6.892 7.645 -1.125 1.00 5.12 C ATOM 1289 CD2 LEU A 91 4.822 8.263 -2.378 1.00 1.32 C ATOM 0 H LEU A 91 3.340 7.359 2.356 1.00 1.01 H new ATOM 0 HA LEU A 91 6.171 7.815 1.622 1.00 74.54 H new ATOM 0 HB2 LEU A 91 4.692 6.641 -0.046 1.00 64.11 H new ATOM 0 HB3 LEU A 91 3.655 8.054 -0.068 1.00 64.11 H new ATOM 0 HG LEU A 91 5.711 9.386 -0.805 1.00 54.45 H new ATOM 0 HD11 LEU A 91 7.484 8.095 -1.922 1.00 5.12 H new ATOM 0 HD12 LEU A 91 7.416 7.758 -0.176 1.00 5.12 H new ATOM 0 HD13 LEU A 91 6.746 6.585 -1.335 1.00 5.12 H new ATOM 0 HD21 LEU A 91 5.449 8.702 -3.154 1.00 1.32 H new ATOM 0 HD22 LEU A 91 4.617 7.221 -2.624 1.00 1.32 H new ATOM 0 HD23 LEU A 91 3.883 8.813 -2.315 1.00 1.32 H new ATOM 1301 N ARG A 92 6.002 10.305 1.639 1.00 71.03 N ATOM 1302 CA ARG A 92 5.928 11.737 1.830 1.00 51.40 C ATOM 1303 C ARG A 92 5.538 12.439 0.530 1.00 33.41 C ATOM 1304 O ARG A 92 5.885 11.988 -0.563 1.00 52.43 O ATOM 1305 CB ARG A 92 7.258 12.284 2.353 1.00 72.20 C ATOM 1306 CG ARG A 92 7.204 13.758 2.733 1.00 54.55 C ATOM 1307 CD ARG A 92 8.534 14.254 3.260 1.00 55.12 C ATOM 1308 NE ARG A 92 8.946 13.555 4.475 1.00 55.53 N ATOM 1309 CZ ARG A 92 9.686 14.106 5.436 1.00 21.32 C ATOM 1310 NH1 ARG A 92 10.031 15.387 5.357 1.00 53.51 N ATOM 1311 NH2 ARG A 92 10.055 13.385 6.486 1.00 75.12 N ATOM 0 H ARG A 92 6.933 9.953 1.416 1.00 71.03 H new ATOM 0 HA ARG A 92 5.157 11.938 2.573 1.00 51.40 H new ATOM 0 HB2 ARG A 92 7.563 11.704 3.224 1.00 72.20 H new ATOM 0 HB3 ARG A 92 8.025 12.142 1.591 1.00 72.20 H new ATOM 0 HG2 ARG A 92 6.916 14.347 1.862 1.00 54.55 H new ATOM 0 HG3 ARG A 92 6.434 13.910 3.490 1.00 54.55 H new ATOM 0 HD2 ARG A 92 9.297 14.124 2.493 1.00 55.12 H new ATOM 0 HD3 ARG A 92 8.465 15.323 3.464 1.00 55.12 H new ATOM 0 HE ARG A 92 8.649 12.587 4.595 1.00 55.53 H new ATOM 0 HH11 ARG A 92 9.729 15.948 4.561 1.00 53.51 H new ATOM 0 HH12 ARG A 92 10.598 15.809 6.093 1.00 53.51 H new ATOM 0 HH21 ARG A 92 9.772 12.408 6.558 1.00 75.12 H new ATOM 0 HH22 ARG A 92 10.622 13.808 7.221 1.00 75.12 H new ATOM 1325 N LEU A 93 4.856 13.559 0.674 1.00 31.30 N ATOM 1326 CA LEU A 93 4.384 14.341 -0.458 1.00 41.31 C ATOM 1327 C LEU A 93 4.553 15.812 -0.182 1.00 71.44 C ATOM 1328 O LEU A 93 4.417 16.254 0.954 1.00 25.41 O ATOM 1329 CB LEU A 93 2.909 14.052 -0.779 1.00 3.44 C ATOM 1330 CG LEU A 93 2.595 12.696 -1.418 1.00 71.11 C ATOM 1331 CD1 LEU A 93 1.123 12.617 -1.785 1.00 75.32 C ATOM 1332 CD2 LEU A 93 3.457 12.466 -2.649 1.00 4.24 C ATOM 0 H LEU A 93 4.612 13.955 1.581 1.00 31.30 H new ATOM 0 HA LEU A 93 4.984 14.053 -1.321 1.00 41.31 H new ATOM 0 HB2 LEU A 93 2.338 14.132 0.146 1.00 3.44 H new ATOM 0 HB3 LEU A 93 2.547 14.834 -1.446 1.00 3.44 H new ATOM 0 HG LEU A 93 2.821 11.915 -0.692 1.00 71.11 H new ATOM 0 HD11 LEU A 93 0.913 11.648 -2.238 1.00 75.32 H new ATOM 0 HD12 LEU A 93 0.517 12.737 -0.887 1.00 75.32 H new ATOM 0 HD13 LEU A 93 0.882 13.409 -2.494 1.00 75.32 H new ATOM 0 HD21 LEU A 93 3.216 11.497 -3.086 1.00 4.24 H new ATOM 0 HD22 LEU A 93 3.264 13.251 -3.380 1.00 4.24 H new ATOM 0 HD23 LEU A 93 4.509 12.485 -2.365 1.00 4.24 H new ATOM 1344 N HIS A 94 4.887 16.557 -1.211 1.00 41.54 N ATOM 1345 CA HIS A 94 5.043 17.995 -1.094 1.00 32.21 C ATOM 1346 C HIS A 94 3.958 18.699 -1.901 1.00 21.35 C ATOM 1347 O HIS A 94 3.662 18.291 -3.027 1.00 54.43 O ATOM 1348 CB HIS A 94 6.436 18.423 -1.561 1.00 34.22 C ATOM 1349 CG HIS A 94 7.543 17.884 -0.702 1.00 14.10 C ATOM 1350 ND1 HIS A 94 8.132 16.653 -0.911 1.00 33.41 N ATOM 1351 CD2 HIS A 94 8.161 18.408 0.380 1.00 61.12 C ATOM 1352 CE1 HIS A 94 9.061 16.450 0.003 1.00 44.12 C ATOM 1353 NE2 HIS A 94 9.099 17.496 0.800 1.00 13.31 N ATOM 0 H HIS A 94 5.058 16.190 -2.147 1.00 41.54 H new ATOM 0 HA HIS A 94 4.939 18.280 -0.047 1.00 32.21 H new ATOM 0 HB2 HIS A 94 6.586 18.088 -2.587 1.00 34.22 H new ATOM 0 HB3 HIS A 94 6.490 19.512 -1.570 1.00 34.22 H new ATOM 0 HD1 HIS A 94 7.887 16.002 -1.657 1.00 33.41 H new ATOM 0 HD2 HIS A 94 7.955 19.367 0.831 1.00 61.12 H new ATOM 0 HE1 HIS A 94 9.686 15.573 0.084 1.00 44.12 H new ATOM 1362 N PRO A 95 3.337 19.758 -1.345 1.00 21.30 N ATOM 1363 CA PRO A 95 3.674 20.298 -0.013 1.00 41.14 C ATOM 1364 C PRO A 95 3.306 19.332 1.102 1.00 25.24 C ATOM 1365 O PRO A 95 2.314 18.602 1.001 1.00 33.25 O ATOM 1366 CB PRO A 95 2.812 21.561 0.084 1.00 40.53 C ATOM 1367 CG PRO A 95 1.667 21.304 -0.830 1.00 43.13 C ATOM 1368 CD PRO A 95 2.226 20.498 -1.968 1.00 11.41 C ATOM 0 HA PRO A 95 4.743 20.481 0.096 1.00 41.14 H new ATOM 0 HB2 PRO A 95 2.473 21.732 1.106 1.00 40.53 H new ATOM 0 HB3 PRO A 95 3.370 22.447 -0.219 1.00 40.53 H new ATOM 0 HG2 PRO A 95 0.873 20.760 -0.319 1.00 43.13 H new ATOM 0 HG3 PRO A 95 1.235 22.238 -1.188 1.00 43.13 H new ATOM 0 HD2 PRO A 95 1.480 19.824 -2.389 1.00 11.41 H new ATOM 0 HD3 PRO A 95 2.573 21.136 -2.781 1.00 11.41 H new ATOM 1376 N GLU A 96 4.100 19.324 2.167 1.00 3.41 N ATOM 1377 CA GLU A 96 3.871 18.434 3.297 1.00 4.34 C ATOM 1378 C GLU A 96 2.693 18.883 4.171 1.00 30.31 C ATOM 1379 O GLU A 96 2.689 18.653 5.382 1.00 41.14 O ATOM 1380 CB GLU A 96 5.149 18.304 4.131 1.00 40.31 C ATOM 1381 CG GLU A 96 6.262 17.548 3.416 1.00 25.31 C ATOM 1382 CD GLU A 96 7.542 17.469 4.220 1.00 52.13 C ATOM 1383 OE1 GLU A 96 7.471 17.301 5.452 1.00 13.22 O ATOM 1384 OE2 GLU A 96 8.631 17.553 3.617 1.00 13.45 O ATOM 0 H GLU A 96 4.914 19.930 2.270 1.00 3.41 H new ATOM 0 HA GLU A 96 3.604 17.457 2.893 1.00 4.34 H new ATOM 0 HB2 GLU A 96 5.506 19.300 4.393 1.00 40.31 H new ATOM 0 HB3 GLU A 96 4.914 17.793 5.065 1.00 40.31 H new ATOM 0 HG2 GLU A 96 5.919 16.538 3.190 1.00 25.31 H new ATOM 0 HG3 GLU A 96 6.469 18.035 2.463 1.00 25.31 H new ATOM 1391 N GLU A 97 1.701 19.516 3.549 1.00 45.12 N ATOM 1392 CA GLU A 97 0.477 19.889 4.238 1.00 71.41 C ATOM 1393 C GLU A 97 -0.156 18.632 4.814 1.00 1.33 C ATOM 1394 O GLU A 97 -0.378 18.526 6.019 1.00 10.33 O ATOM 1395 CB GLU A 97 -0.504 20.561 3.276 1.00 21.14 C ATOM 1396 CG GLU A 97 -1.763 21.072 3.959 1.00 32.43 C ATOM 1397 CD GLU A 97 -2.834 21.481 2.981 1.00 74.12 C ATOM 1398 OE1 GLU A 97 -2.805 22.632 2.501 1.00 33.03 O ATOM 1399 OE2 GLU A 97 -3.717 20.652 2.689 1.00 61.43 O ATOM 0 H GLU A 97 1.726 19.781 2.564 1.00 45.12 H new ATOM 0 HA GLU A 97 0.714 20.596 5.033 1.00 71.41 H new ATOM 0 HB2 GLU A 97 -0.004 21.394 2.781 1.00 21.14 H new ATOM 0 HB3 GLU A 97 -0.784 19.850 2.499 1.00 21.14 H new ATOM 0 HG2 GLU A 97 -2.155 20.296 4.616 1.00 32.43 H new ATOM 0 HG3 GLU A 97 -1.508 21.924 4.589 1.00 32.43 H new ATOM 1406 N LEU A 98 -0.454 17.682 3.931 1.00 13.10 N ATOM 1407 CA LEU A 98 -0.960 16.375 4.338 1.00 1.35 C ATOM 1408 C LEU A 98 0.108 15.641 5.147 1.00 11.23 C ATOM 1409 O LEU A 98 -0.193 14.812 6.009 1.00 63.03 O ATOM 1410 CB LEU A 98 -1.313 15.545 3.098 1.00 61.44 C ATOM 1411 CG LEU A 98 -2.034 16.292 1.964 1.00 42.32 C ATOM 1412 CD1 LEU A 98 -2.370 15.338 0.835 1.00 31.14 C ATOM 1413 CD2 LEU A 98 -3.291 16.981 2.472 1.00 3.10 C ATOM 0 H LEU A 98 -0.353 17.795 2.922 1.00 13.10 H new ATOM 0 HA LEU A 98 -1.852 16.513 4.949 1.00 1.35 H new ATOM 0 HB2 LEU A 98 -0.393 15.119 2.697 1.00 61.44 H new ATOM 0 HB3 LEU A 98 -1.940 14.710 3.411 1.00 61.44 H new ATOM 0 HG LEU A 98 -1.361 17.061 1.584 1.00 42.32 H new ATOM 0 HD11 LEU A 98 -2.880 15.881 0.039 1.00 31.14 H new ATOM 0 HD12 LEU A 98 -1.452 14.899 0.444 1.00 31.14 H new ATOM 0 HD13 LEU A 98 -3.020 14.547 1.209 1.00 31.14 H new ATOM 0 HD21 LEU A 98 -3.779 17.501 1.648 1.00 3.10 H new ATOM 0 HD22 LEU A 98 -3.972 16.237 2.886 1.00 3.10 H new ATOM 0 HD23 LEU A 98 -3.024 17.700 3.247 1.00 3.10 H new ATOM 1425 N GLY A 99 1.356 15.962 4.847 1.00 72.54 N ATOM 1426 CA GLY A 99 2.497 15.395 5.535 1.00 52.42 C ATOM 1427 C GLY A 99 2.907 14.031 5.024 1.00 64.41 C ATOM 1428 O GLY A 99 4.092 13.789 4.788 1.00 0.34 O ATOM 0 H GLY A 99 1.604 16.627 4.115 1.00 72.54 H new ATOM 0 HA2 GLY A 99 3.342 16.077 5.439 1.00 52.42 H new ATOM 0 HA3 GLY A 99 2.267 15.320 6.598 1.00 52.42 H new ATOM 1432 N GLN A 100 1.946 13.147 4.823 1.00 34.10 N ATOM 1433 CA GLN A 100 2.245 11.807 4.360 1.00 73.13 C ATOM 1434 C GLN A 100 1.028 11.162 3.725 1.00 42.24 C ATOM 1435 O GLN A 100 -0.048 11.761 3.653 1.00 72.15 O ATOM 1436 CB GLN A 100 2.741 10.925 5.514 1.00 60.21 C ATOM 1437 CG GLN A 100 1.709 10.710 6.611 1.00 30.22 C ATOM 1438 CD GLN A 100 2.116 9.631 7.588 1.00 34.04 C ATOM 1439 OE1 GLN A 100 1.794 8.458 7.404 1.00 41.33 O ATOM 1440 NE2 GLN A 100 2.828 10.016 8.627 1.00 63.23 N ATOM 0 H GLN A 100 0.955 13.334 4.973 1.00 34.10 H new ATOM 0 HA GLN A 100 3.032 11.893 3.611 1.00 73.13 H new ATOM 0 HB2 GLN A 100 3.041 9.956 5.115 1.00 60.21 H new ATOM 0 HB3 GLN A 100 3.631 11.379 5.949 1.00 60.21 H new ATOM 0 HG2 GLN A 100 1.557 11.645 7.150 1.00 30.22 H new ATOM 0 HG3 GLN A 100 0.753 10.444 6.159 1.00 30.22 H new ATOM 0 HE21 GLN A 100 3.073 11.000 8.741 1.00 63.23 H new ATOM 0 HE22 GLN A 100 3.134 9.331 9.318 1.00 63.23 H new ATOM 1449 N VAL A 101 1.219 9.938 3.285 1.00 42.21 N ATOM 1450 CA VAL A 101 0.164 9.106 2.758 1.00 70.44 C ATOM 1451 C VAL A 101 0.307 7.733 3.382 1.00 41.31 C ATOM 1452 O VAL A 101 1.371 7.113 3.284 1.00 41.35 O ATOM 1453 CB VAL A 101 0.232 8.974 1.214 1.00 25.34 C ATOM 1454 CG1 VAL A 101 -0.867 8.047 0.701 1.00 31.11 C ATOM 1455 CG2 VAL A 101 0.121 10.335 0.555 1.00 72.05 C ATOM 0 H VAL A 101 2.133 9.485 3.284 1.00 42.21 H new ATOM 0 HA VAL A 101 -0.795 9.564 2.999 1.00 70.44 H new ATOM 0 HB VAL A 101 1.198 8.541 0.955 1.00 25.34 H new ATOM 0 HG11 VAL A 101 -0.800 7.969 -0.384 1.00 31.11 H new ATOM 0 HG12 VAL A 101 -0.745 7.058 1.144 1.00 31.11 H new ATOM 0 HG13 VAL A 101 -1.841 8.451 0.977 1.00 31.11 H new ATOM 0 HG21 VAL A 101 0.171 10.220 -0.528 1.00 72.05 H new ATOM 0 HG22 VAL A 101 -0.829 10.795 0.828 1.00 72.05 H new ATOM 0 HG23 VAL A 101 0.941 10.970 0.891 1.00 72.05 H new ATOM 1465 N HIS A 102 -0.738 7.257 4.020 1.00 33.44 N ATOM 1466 CA HIS A 102 -0.671 5.976 4.695 1.00 13.54 C ATOM 1467 C HIS A 102 -1.348 4.925 3.840 1.00 41.33 C ATOM 1468 O HIS A 102 -2.575 4.866 3.770 1.00 5.31 O ATOM 1469 CB HIS A 102 -1.314 6.057 6.087 1.00 3.23 C ATOM 1470 CG HIS A 102 -1.051 4.860 6.955 1.00 60.33 C ATOM 1471 ND1 HIS A 102 -0.267 4.912 8.085 1.00 41.42 N ATOM 1472 CD2 HIS A 102 -1.478 3.578 6.859 1.00 11.01 C ATOM 1473 CE1 HIS A 102 -0.218 3.719 8.641 1.00 52.33 C ATOM 1474 NE2 HIS A 102 -0.945 2.892 7.917 1.00 22.33 N ATOM 0 H HIS A 102 -1.639 7.731 4.087 1.00 33.44 H new ATOM 0 HA HIS A 102 0.373 5.698 4.837 1.00 13.54 H new ATOM 0 HB2 HIS A 102 -0.945 6.948 6.594 1.00 3.23 H new ATOM 0 HB3 HIS A 102 -2.391 6.179 5.971 1.00 3.23 H new ATOM 0 HD2 HIS A 102 -2.120 3.173 6.091 1.00 11.01 H new ATOM 0 HE1 HIS A 102 0.326 3.462 9.538 1.00 52.33 H new ATOM 0 HE2 HIS A 102 -1.087 1.901 8.113 1.00 22.33 H new ATOM 1483 N ILE A 103 -0.552 4.118 3.182 1.00 60.33 N ATOM 1484 CA ILE A 103 -1.061 3.108 2.278 1.00 14.41 C ATOM 1485 C ILE A 103 -1.208 1.752 2.962 1.00 44.41 C ATOM 1486 O ILE A 103 -0.254 1.232 3.548 1.00 61.23 O ATOM 1487 CB ILE A 103 -0.119 2.950 1.060 1.00 25.21 C ATOM 1488 CG1 ILE A 103 0.132 4.312 0.406 1.00 55.22 C ATOM 1489 CG2 ILE A 103 -0.701 1.964 0.048 1.00 4.50 C ATOM 1490 CD1 ILE A 103 1.088 4.264 -0.763 1.00 40.35 C ATOM 0 H ILE A 103 0.465 4.140 3.256 1.00 60.33 H new ATOM 0 HA ILE A 103 -2.046 3.442 1.952 1.00 14.41 H new ATOM 0 HB ILE A 103 0.833 2.551 1.409 1.00 25.21 H new ATOM 0 HG12 ILE A 103 -0.819 4.722 0.068 1.00 55.22 H new ATOM 0 HG13 ILE A 103 0.526 4.997 1.157 1.00 55.22 H new ATOM 0 HG21 ILE A 103 -0.022 1.869 -0.799 1.00 4.50 H new ATOM 0 HG22 ILE A 103 -0.829 0.990 0.521 1.00 4.50 H new ATOM 0 HG23 ILE A 103 -1.667 2.328 -0.301 1.00 4.50 H new ATOM 0 HD11 ILE A 103 1.214 5.267 -1.172 1.00 40.35 H new ATOM 0 HD12 ILE A 103 2.054 3.885 -0.428 1.00 40.35 H new ATOM 0 HD13 ILE A 103 0.687 3.606 -1.534 1.00 40.35 H new ATOM 1502 N SER A 104 -2.411 1.216 2.916 1.00 12.31 N ATOM 1503 CA SER A 104 -2.678 -0.128 3.385 1.00 12.23 C ATOM 1504 C SER A 104 -2.772 -1.051 2.163 1.00 30.31 C ATOM 1505 O SER A 104 -2.961 -0.568 1.040 1.00 33.34 O ATOM 1506 CB SER A 104 -3.966 -0.166 4.219 1.00 21.21 C ATOM 1507 OG SER A 104 -3.876 0.715 5.336 1.00 51.32 O ATOM 0 H SER A 104 -3.231 1.701 2.552 1.00 12.31 H new ATOM 0 HA SER A 104 -1.872 -0.468 4.035 1.00 12.23 H new ATOM 0 HB2 SER A 104 -4.815 0.116 3.596 1.00 21.21 H new ATOM 0 HB3 SER A 104 -4.149 -1.183 4.567 1.00 21.21 H new ATOM 0 HG SER A 104 -4.708 0.675 5.852 1.00 51.32 H new ATOM 1513 N LEU A 105 -2.661 -2.354 2.359 1.00 60.15 N ATOM 1514 CA LEU A 105 -2.604 -3.268 1.229 1.00 33.14 C ATOM 1515 C LEU A 105 -3.137 -4.649 1.595 1.00 22.32 C ATOM 1516 O LEU A 105 -3.032 -5.083 2.743 1.00 14.31 O ATOM 1517 CB LEU A 105 -1.159 -3.392 0.725 1.00 30.13 C ATOM 1518 CG LEU A 105 -0.944 -4.300 -0.491 1.00 31.51 C ATOM 1519 CD1 LEU A 105 -1.486 -3.652 -1.753 1.00 12.02 C ATOM 1520 CD2 LEU A 105 0.523 -4.648 -0.650 1.00 4.22 C ATOM 0 H LEU A 105 -2.609 -2.799 3.275 1.00 60.15 H new ATOM 0 HA LEU A 105 -3.236 -2.858 0.441 1.00 33.14 H new ATOM 0 HB2 LEU A 105 -0.796 -2.395 0.477 1.00 30.13 H new ATOM 0 HB3 LEU A 105 -0.541 -3.762 1.543 1.00 30.13 H new ATOM 0 HG LEU A 105 -1.495 -5.225 -0.324 1.00 31.51 H new ATOM 0 HD11 LEU A 105 -1.322 -4.315 -2.602 1.00 12.02 H new ATOM 0 HD12 LEU A 105 -2.554 -3.468 -1.638 1.00 12.02 H new ATOM 0 HD13 LEU A 105 -0.972 -2.707 -1.926 1.00 12.02 H new ATOM 0 HD21 LEU A 105 0.652 -5.293 -1.519 1.00 4.22 H new ATOM 0 HD22 LEU A 105 1.101 -3.734 -0.788 1.00 4.22 H new ATOM 0 HD23 LEU A 105 0.873 -5.167 0.242 1.00 4.22 H new ATOM 1532 N LYS A 106 -3.717 -5.319 0.625 1.00 1.13 N ATOM 1533 CA LYS A 106 -4.124 -6.704 0.774 1.00 20.03 C ATOM 1534 C LYS A 106 -3.650 -7.464 -0.446 1.00 22.13 C ATOM 1535 O LYS A 106 -3.880 -7.029 -1.568 1.00 23.33 O ATOM 1536 CB LYS A 106 -5.647 -6.842 0.927 1.00 65.30 C ATOM 1537 CG LYS A 106 -6.114 -8.287 1.098 1.00 33.24 C ATOM 1538 CD LYS A 106 -7.628 -8.393 1.273 1.00 22.12 C ATOM 1539 CE LYS A 106 -8.385 -7.995 0.015 1.00 43.42 C ATOM 1540 NZ LYS A 106 -9.854 -8.174 0.178 1.00 55.41 N ATOM 0 H LYS A 106 -3.921 -4.921 -0.292 1.00 1.13 H new ATOM 0 HA LYS A 106 -3.678 -7.111 1.682 1.00 20.03 H new ATOM 0 HB2 LYS A 106 -5.972 -6.259 1.789 1.00 65.30 H new ATOM 0 HB3 LYS A 106 -6.133 -6.413 0.051 1.00 65.30 H new ATOM 0 HG2 LYS A 106 -5.810 -8.870 0.228 1.00 33.24 H new ATOM 0 HG3 LYS A 106 -5.619 -8.726 1.964 1.00 33.24 H new ATOM 0 HD2 LYS A 106 -7.889 -9.416 1.543 1.00 22.12 H new ATOM 0 HD3 LYS A 106 -7.941 -7.755 2.100 1.00 22.12 H new ATOM 0 HE2 LYS A 106 -8.169 -6.954 -0.226 1.00 43.42 H new ATOM 0 HE3 LYS A 106 -8.036 -8.595 -0.825 1.00 43.42 H new ATOM 0 HZ1 LYS A 106 -10.355 -7.560 -0.495 1.00 55.41 H new ATOM 0 HZ2 LYS A 106 -10.105 -9.166 -0.005 1.00 55.41 H new ATOM 0 HZ3 LYS A 106 -10.129 -7.921 1.149 1.00 55.41 H new ATOM 1554 N LEU A 107 -2.994 -8.584 -0.238 1.00 3.32 N ATOM 1555 CA LEU A 107 -2.452 -9.349 -1.343 1.00 30.15 C ATOM 1556 C LEU A 107 -2.876 -10.797 -1.245 1.00 74.24 C ATOM 1557 O LEU A 107 -2.290 -11.579 -0.502 1.00 3.52 O ATOM 1558 CB LEU A 107 -0.920 -9.243 -1.372 1.00 54.03 C ATOM 1559 CG LEU A 107 -0.215 -10.004 -2.504 1.00 31.04 C ATOM 1560 CD1 LEU A 107 -0.618 -9.451 -3.863 1.00 31.43 C ATOM 1561 CD2 LEU A 107 1.296 -9.941 -2.326 1.00 13.21 C ATOM 0 H LEU A 107 -2.822 -8.986 0.684 1.00 3.32 H new ATOM 0 HA LEU A 107 -2.846 -8.935 -2.271 1.00 30.15 H new ATOM 0 HB2 LEU A 107 -0.650 -8.190 -1.445 1.00 54.03 H new ATOM 0 HB3 LEU A 107 -0.532 -9.606 -0.420 1.00 54.03 H new ATOM 0 HG LEU A 107 -0.526 -11.048 -2.459 1.00 31.04 H new ATOM 0 HD11 LEU A 107 -0.105 -10.006 -4.648 1.00 31.43 H new ATOM 0 HD12 LEU A 107 -1.696 -9.551 -3.992 1.00 31.43 H new ATOM 0 HD13 LEU A 107 -0.342 -8.398 -3.924 1.00 31.43 H new ATOM 0 HD21 LEU A 107 1.781 -10.485 -3.136 1.00 13.21 H new ATOM 0 HD22 LEU A 107 1.621 -8.901 -2.342 1.00 13.21 H new ATOM 0 HD23 LEU A 107 1.569 -10.392 -1.372 1.00 13.21 H new ATOM 1573 N ASP A 108 -3.916 -11.143 -1.972 1.00 51.22 N ATOM 1574 CA ASP A 108 -4.421 -12.501 -1.999 1.00 55.41 C ATOM 1575 C ASP A 108 -3.943 -13.180 -3.261 1.00 63.40 C ATOM 1576 O ASP A 108 -4.353 -12.798 -4.342 1.00 21.32 O ATOM 1577 CB ASP A 108 -5.956 -12.496 -1.947 1.00 63.24 C ATOM 1578 CG ASP A 108 -6.562 -13.874 -2.144 1.00 20.35 C ATOM 1579 OD1 ASP A 108 -6.604 -14.652 -1.170 1.00 45.34 O ATOM 1580 OD2 ASP A 108 -7.013 -14.181 -3.273 1.00 75.43 O ATOM 0 H ASP A 108 -4.436 -10.493 -2.561 1.00 51.22 H new ATOM 0 HA ASP A 108 -4.050 -13.045 -1.131 1.00 55.41 H new ATOM 0 HB2 ASP A 108 -6.280 -12.097 -0.986 1.00 63.24 H new ATOM 0 HB3 ASP A 108 -6.338 -11.824 -2.716 1.00 63.24 H new ATOM 1585 N ASP A 109 -3.109 -14.209 -3.100 1.00 24.14 N ATOM 1586 CA ASP A 109 -2.475 -14.951 -4.228 1.00 72.53 C ATOM 1587 C ASP A 109 -1.865 -14.040 -5.326 1.00 13.00 C ATOM 1588 O ASP A 109 -0.644 -13.904 -5.418 1.00 20.35 O ATOM 1589 CB ASP A 109 -3.461 -15.944 -4.843 1.00 44.31 C ATOM 1590 CG ASP A 109 -2.867 -16.717 -6.004 1.00 40.52 C ATOM 1591 OD1 ASP A 109 -1.893 -17.464 -5.793 1.00 41.02 O ATOM 1592 OD2 ASP A 109 -3.375 -16.580 -7.130 1.00 3.14 O ATOM 0 H ASP A 109 -2.843 -14.565 -2.182 1.00 24.14 H new ATOM 0 HA ASP A 109 -1.635 -15.490 -3.789 1.00 72.53 H new ATOM 0 HB2 ASP A 109 -3.790 -16.645 -4.076 1.00 44.31 H new ATOM 0 HB3 ASP A 109 -4.346 -15.407 -5.185 1.00 44.31 H new ATOM 1597 N ASN A 110 -2.720 -13.421 -6.147 1.00 61.33 N ATOM 1598 CA ASN A 110 -2.268 -12.580 -7.253 1.00 55.54 C ATOM 1599 C ASN A 110 -3.135 -11.320 -7.384 1.00 75.14 C ATOM 1600 O ASN A 110 -3.121 -10.660 -8.409 1.00 53.15 O ATOM 1601 CB ASN A 110 -2.306 -13.369 -8.582 1.00 2.15 C ATOM 1602 CG ASN A 110 -3.725 -13.599 -9.111 1.00 72.31 C ATOM 1603 OD1 ASN A 110 -4.258 -12.796 -9.888 1.00 2.20 O ATOM 1604 ND2 ASN A 110 -4.344 -14.690 -8.705 1.00 34.45 N ATOM 0 H ASN A 110 -3.734 -13.489 -6.063 1.00 61.33 H new ATOM 0 HA ASN A 110 -1.243 -12.278 -7.039 1.00 55.54 H new ATOM 0 HB2 ASN A 110 -1.729 -12.830 -9.333 1.00 2.15 H new ATOM 0 HB3 ASN A 110 -1.819 -14.333 -8.438 1.00 2.15 H new ATOM 0 HD21 ASN A 110 -5.289 -14.892 -9.032 1.00 34.45 H new ATOM 0 HD22 ASN A 110 -3.878 -15.332 -8.064 1.00 34.45 H new ATOM 1611 N GLN A 111 -3.840 -10.961 -6.328 1.00 13.22 N ATOM 1612 CA GLN A 111 -4.697 -9.781 -6.370 1.00 1.54 C ATOM 1613 C GLN A 111 -4.349 -8.840 -5.232 1.00 3.13 C ATOM 1614 O GLN A 111 -4.250 -9.257 -4.073 1.00 4.14 O ATOM 1615 CB GLN A 111 -6.189 -10.147 -6.339 1.00 3.13 C ATOM 1616 CG GLN A 111 -6.628 -10.902 -5.099 1.00 22.23 C ATOM 1617 CD GLN A 111 -8.126 -11.093 -5.028 1.00 51.21 C ATOM 1618 OE1 GLN A 111 -8.897 -10.260 -5.505 1.00 32.53 O ATOM 1619 NE2 GLN A 111 -8.552 -12.193 -4.441 1.00 53.53 N ATOM 0 H GLN A 111 -3.840 -11.460 -5.438 1.00 13.22 H new ATOM 0 HA GLN A 111 -4.514 -9.275 -7.318 1.00 1.54 H new ATOM 0 HB2 GLN A 111 -6.776 -9.232 -6.418 1.00 3.13 H new ATOM 0 HB3 GLN A 111 -6.420 -10.751 -7.217 1.00 3.13 H new ATOM 0 HG2 GLN A 111 -6.141 -11.877 -5.082 1.00 22.23 H new ATOM 0 HG3 GLN A 111 -6.293 -10.362 -4.213 1.00 22.23 H new ATOM 0 HE21 GLN A 111 -7.881 -12.859 -4.058 1.00 53.53 H new ATOM 0 HE22 GLN A 111 -9.552 -12.378 -4.370 1.00 53.53 H new ATOM 1628 N ALA A 112 -4.143 -7.583 -5.561 1.00 71.22 N ATOM 1629 CA ALA A 112 -3.762 -6.601 -4.573 1.00 61.31 C ATOM 1630 C ALA A 112 -4.802 -5.503 -4.435 1.00 3.20 C ATOM 1631 O ALA A 112 -5.230 -4.905 -5.423 1.00 15.32 O ATOM 1632 CB ALA A 112 -2.409 -6.003 -4.923 1.00 43.51 C ATOM 0 H ALA A 112 -4.234 -7.218 -6.509 1.00 71.22 H new ATOM 0 HA ALA A 112 -3.694 -7.110 -3.612 1.00 61.31 H new ATOM 0 HB1 ALA A 112 -2.132 -5.264 -4.171 1.00 43.51 H new ATOM 0 HB2 ALA A 112 -1.658 -6.793 -4.949 1.00 43.51 H new ATOM 0 HB3 ALA A 112 -2.465 -5.523 -5.900 1.00 43.51 H new ATOM 1638 N GLN A 113 -5.216 -5.258 -3.211 1.00 3.34 N ATOM 1639 CA GLN A 113 -6.141 -4.187 -2.909 1.00 60.23 C ATOM 1640 C GLN A 113 -5.376 -3.003 -2.365 1.00 0.43 C ATOM 1641 O GLN A 113 -4.690 -3.114 -1.343 1.00 1.10 O ATOM 1642 CB GLN A 113 -7.188 -4.634 -1.890 1.00 22.41 C ATOM 1643 CG GLN A 113 -7.960 -3.479 -1.259 1.00 12.03 C ATOM 1644 CD GLN A 113 -8.924 -3.931 -0.185 1.00 42.21 C ATOM 1645 OE1 GLN A 113 -8.715 -4.951 0.462 1.00 30.15 O ATOM 1646 NE2 GLN A 113 -9.968 -3.159 0.028 1.00 74.30 N ATOM 0 H GLN A 113 -4.921 -5.796 -2.396 1.00 3.34 H new ATOM 0 HA GLN A 113 -6.658 -3.907 -3.827 1.00 60.23 H new ATOM 0 HB2 GLN A 113 -7.893 -5.307 -2.378 1.00 22.41 H new ATOM 0 HB3 GLN A 113 -6.696 -5.204 -1.102 1.00 22.41 H new ATOM 0 HG2 GLN A 113 -7.254 -2.768 -0.830 1.00 12.03 H new ATOM 0 HG3 GLN A 113 -8.512 -2.950 -2.036 1.00 12.03 H new ATOM 0 HE21 GLN A 113 -10.104 -2.319 -0.534 1.00 74.30 H new ATOM 0 HE22 GLN A 113 -10.641 -3.401 0.755 1.00 74.30 H new ATOM 1655 N LEU A 114 -5.487 -1.887 -3.040 1.00 30.51 N ATOM 1656 CA LEU A 114 -4.801 -0.684 -2.631 1.00 4.04 C ATOM 1657 C LEU A 114 -5.704 0.188 -1.783 1.00 4.24 C ATOM 1658 O LEU A 114 -6.886 0.373 -2.089 1.00 53.40 O ATOM 1659 CB LEU A 114 -4.285 0.099 -3.847 1.00 53.41 C ATOM 1660 CG LEU A 114 -2.939 -0.363 -4.443 1.00 70.21 C ATOM 1661 CD1 LEU A 114 -1.819 -0.230 -3.422 1.00 71.42 C ATOM 1662 CD2 LEU A 114 -3.024 -1.793 -4.958 1.00 60.41 C ATOM 0 H LEU A 114 -6.051 -1.785 -3.884 1.00 30.51 H new ATOM 0 HA LEU A 114 -3.942 -0.979 -2.029 1.00 4.04 H new ATOM 0 HB2 LEU A 114 -5.041 0.048 -4.631 1.00 53.41 H new ATOM 0 HB3 LEU A 114 -4.190 1.147 -3.563 1.00 53.41 H new ATOM 0 HG LEU A 114 -2.713 0.287 -5.289 1.00 70.21 H new ATOM 0 HD11 LEU A 114 -0.881 -0.562 -3.866 1.00 71.42 H new ATOM 0 HD12 LEU A 114 -1.727 0.812 -3.116 1.00 71.42 H new ATOM 0 HD13 LEU A 114 -2.046 -0.845 -2.551 1.00 71.42 H new ATOM 0 HD21 LEU A 114 -2.060 -2.089 -5.372 1.00 60.41 H new ATOM 0 HD22 LEU A 114 -3.287 -2.460 -4.137 1.00 60.41 H new ATOM 0 HD23 LEU A 114 -3.786 -1.855 -5.735 1.00 60.41 H new ATOM 1674 N GLN A 115 -5.145 0.710 -0.720 1.00 65.42 N ATOM 1675 CA GLN A 115 -5.860 1.568 0.199 1.00 15.11 C ATOM 1676 C GLN A 115 -4.977 2.738 0.558 1.00 12.41 C ATOM 1677 O GLN A 115 -3.794 2.561 0.828 1.00 42.03 O ATOM 1678 CB GLN A 115 -6.222 0.790 1.458 1.00 24.34 C ATOM 1679 CG GLN A 115 -7.231 -0.322 1.242 1.00 35.03 C ATOM 1680 CD GLN A 115 -7.319 -1.253 2.429 1.00 41.33 C ATOM 1681 OE1 GLN A 115 -8.087 -1.023 3.360 1.00 0.41 O ATOM 1682 NE2 GLN A 115 -6.533 -2.313 2.403 1.00 3.20 N ATOM 0 H GLN A 115 -4.171 0.551 -0.463 1.00 65.42 H new ATOM 0 HA GLN A 115 -6.777 1.926 -0.268 1.00 15.11 H new ATOM 0 HB2 GLN A 115 -5.313 0.361 1.879 1.00 24.34 H new ATOM 0 HB3 GLN A 115 -6.619 1.485 2.198 1.00 24.34 H new ATOM 0 HG2 GLN A 115 -8.212 0.112 1.050 1.00 35.03 H new ATOM 0 HG3 GLN A 115 -6.956 -0.892 0.355 1.00 35.03 H new ATOM 0 HE21 GLN A 115 -5.910 -2.466 1.610 1.00 3.20 H new ATOM 0 HE22 GLN A 115 -6.549 -2.979 3.176 1.00 3.20 H new ATOM 1691 N MET A 116 -5.540 3.924 0.585 1.00 64.50 N ATOM 1692 CA MET A 116 -4.755 5.111 0.851 1.00 15.32 C ATOM 1693 C MET A 116 -5.453 6.025 1.826 1.00 72.22 C ATOM 1694 O MET A 116 -6.616 6.377 1.642 1.00 23.04 O ATOM 1695 CB MET A 116 -4.441 5.892 -0.437 1.00 72.12 C ATOM 1696 CG MET A 116 -3.467 5.205 -1.383 1.00 2.03 C ATOM 1697 SD MET A 116 -4.244 3.958 -2.429 1.00 53.30 S ATOM 1698 CE MET A 116 -2.851 3.471 -3.438 1.00 51.41 C ATOM 0 H MET A 116 -6.533 4.094 0.427 1.00 64.50 H new ATOM 0 HA MET A 116 -3.818 4.767 1.289 1.00 15.32 H new ATOM 0 HB2 MET A 116 -5.374 6.075 -0.970 1.00 72.12 H new ATOM 0 HB3 MET A 116 -4.034 6.865 -0.164 1.00 72.12 H new ATOM 0 HG2 MET A 116 -2.995 5.957 -2.016 1.00 2.03 H new ATOM 0 HG3 MET A 116 -2.674 4.737 -0.799 1.00 2.03 H new ATOM 0 HE1 MET A 116 -3.197 2.837 -4.255 1.00 51.41 H new ATOM 0 HE2 MET A 116 -2.370 4.359 -3.847 1.00 51.41 H new ATOM 0 HE3 MET A 116 -2.136 2.919 -2.828 1.00 51.41 H new ATOM 1708 N VAL A 117 -4.753 6.382 2.871 1.00 20.00 N ATOM 1709 CA VAL A 117 -5.250 7.342 3.821 1.00 32.21 C ATOM 1710 C VAL A 117 -4.552 8.675 3.601 1.00 71.43 C ATOM 1711 O VAL A 117 -3.334 8.796 3.779 1.00 0.15 O ATOM 1712 CB VAL A 117 -5.083 6.871 5.288 1.00 20.31 C ATOM 1713 CG1 VAL A 117 -5.381 8.006 6.260 1.00 41.41 C ATOM 1714 CG2 VAL A 117 -6.003 5.691 5.570 1.00 4.32 C ATOM 0 H VAL A 117 -3.825 6.017 3.087 1.00 20.00 H new ATOM 0 HA VAL A 117 -6.321 7.453 3.654 1.00 32.21 H new ATOM 0 HB VAL A 117 -4.048 6.559 5.429 1.00 20.31 H new ATOM 0 HG11 VAL A 117 -5.257 7.651 7.283 1.00 41.41 H new ATOM 0 HG12 VAL A 117 -4.694 8.832 6.077 1.00 41.41 H new ATOM 0 HG13 VAL A 117 -6.406 8.348 6.116 1.00 41.41 H new ATOM 0 HG21 VAL A 117 -5.876 5.370 6.604 1.00 4.32 H new ATOM 0 HG22 VAL A 117 -7.039 5.990 5.407 1.00 4.32 H new ATOM 0 HG23 VAL A 117 -5.754 4.867 4.901 1.00 4.32 H new ATOM 1724 N SER A 118 -5.332 9.650 3.199 1.00 64.40 N ATOM 1725 CA SER A 118 -4.845 10.975 2.883 1.00 33.52 C ATOM 1726 C SER A 118 -6.018 11.940 2.854 1.00 13.11 C ATOM 1727 O SER A 118 -7.076 11.588 2.332 1.00 33.50 O ATOM 1728 CB SER A 118 -4.126 10.965 1.524 1.00 74.10 C ATOM 1729 OG SER A 118 -4.964 10.428 0.509 1.00 11.42 O ATOM 0 H SER A 118 -6.340 9.545 3.080 1.00 64.40 H new ATOM 0 HA SER A 118 -4.133 11.294 3.644 1.00 33.52 H new ATOM 0 HB2 SER A 118 -3.830 11.980 1.257 1.00 74.10 H new ATOM 0 HB3 SER A 118 -3.212 10.375 1.596 1.00 74.10 H new ATOM 0 HG SER A 118 -4.486 10.433 -0.347 1.00 11.42 H new ATOM 1735 N PRO A 119 -5.863 13.156 3.425 1.00 13.21 N ATOM 1736 CA PRO A 119 -6.937 14.173 3.461 1.00 22.01 C ATOM 1737 C PRO A 119 -7.567 14.431 2.078 1.00 11.53 C ATOM 1738 O PRO A 119 -7.035 14.011 1.046 1.00 33.32 O ATOM 1739 CB PRO A 119 -6.222 15.420 3.975 1.00 5.23 C ATOM 1740 CG PRO A 119 -5.091 14.888 4.784 1.00 25.52 C ATOM 1741 CD PRO A 119 -4.637 13.636 4.086 1.00 2.51 C ATOM 0 HA PRO A 119 -7.774 13.857 4.084 1.00 22.01 H new ATOM 0 HB2 PRO A 119 -5.866 16.041 3.153 1.00 5.23 H new ATOM 0 HB3 PRO A 119 -6.886 16.039 4.578 1.00 5.23 H new ATOM 0 HG2 PRO A 119 -4.281 15.615 4.848 1.00 25.52 H new ATOM 0 HG3 PRO A 119 -5.408 14.673 5.804 1.00 25.52 H new ATOM 0 HD2 PRO A 119 -3.845 13.841 3.366 1.00 2.51 H new ATOM 0 HD3 PRO A 119 -4.245 12.902 4.790 1.00 2.51 H new ATOM 1749 N HIS A 120 -8.672 15.156 2.055 1.00 61.31 N ATOM 1750 CA HIS A 120 -9.410 15.356 0.817 1.00 3.01 C ATOM 1751 C HIS A 120 -8.904 16.564 0.050 1.00 43.11 C ATOM 1752 O HIS A 120 -9.023 17.707 0.500 1.00 21.11 O ATOM 1753 CB HIS A 120 -10.936 15.456 1.074 1.00 41.52 C ATOM 1754 CG HIS A 120 -11.355 16.526 2.047 1.00 42.12 C ATOM 1755 ND1 HIS A 120 -11.269 16.578 3.397 1.00 51.04 N flip ATOM 1756 CD2 HIS A 120 -11.959 17.701 1.663 1.00 40.42 C flip ATOM 1757 CE1 HIS A 120 -11.815 17.769 3.798 1.00 41.13 C flip ATOM 1758 NE2 HIS A 120 -12.224 18.426 2.729 1.00 4.30 N flip ATOM 0 H HIS A 120 -9.077 15.613 2.872 1.00 61.31 H new ATOM 0 HA HIS A 120 -9.236 14.477 0.196 1.00 3.01 H new ATOM 0 HB2 HIS A 120 -11.437 15.636 0.123 1.00 41.52 H new ATOM 0 HB3 HIS A 120 -11.290 14.493 1.443 1.00 41.52 H new ATOM 0 HD2 HIS A 120 -12.181 17.984 0.645 1.00 40.42 H new ATOM 0 HE1 HIS A 120 -11.897 18.113 4.819 1.00 41.13 H new ATOM 0 HE2 HIS A 120 -12.671 19.343 2.729 1.00 4.30 H new ATOM 1767 N SER A 121 -8.332 16.293 -1.104 1.00 21.54 N ATOM 1768 CA SER A 121 -7.792 17.313 -1.962 1.00 34.41 C ATOM 1769 C SER A 121 -7.568 16.723 -3.358 1.00 73.31 C ATOM 1770 O SER A 121 -8.007 15.597 -3.640 1.00 21.44 O ATOM 1771 CB SER A 121 -6.477 17.857 -1.375 1.00 14.01 C ATOM 1772 OG SER A 121 -6.038 19.015 -2.069 1.00 54.12 O ATOM 0 H SER A 121 -8.230 15.347 -1.472 1.00 21.54 H new ATOM 0 HA SER A 121 -8.493 18.144 -2.037 1.00 34.41 H new ATOM 0 HB2 SER A 121 -6.619 18.095 -0.321 1.00 14.01 H new ATOM 0 HB3 SER A 121 -5.708 17.087 -1.427 1.00 14.01 H new ATOM 0 HG SER A 121 -5.206 18.814 -2.547 1.00 54.12 H new ATOM 1778 N HIS A 122 -6.863 17.456 -4.212 1.00 61.41 N ATOM 1779 CA HIS A 122 -6.624 17.020 -5.588 1.00 23.53 C ATOM 1780 C HIS A 122 -5.682 15.834 -5.661 1.00 43.31 C ATOM 1781 O HIS A 122 -5.501 15.245 -6.727 1.00 53.22 O ATOM 1782 CB HIS A 122 -6.119 18.171 -6.458 1.00 1.21 C ATOM 1783 CG HIS A 122 -7.204 19.114 -6.863 1.00 61.24 C ATOM 1784 ND1 HIS A 122 -7.787 19.094 -8.105 1.00 74.04 N ATOM 1785 CD2 HIS A 122 -7.834 20.089 -6.172 1.00 34.21 C ATOM 1786 CE1 HIS A 122 -8.728 20.007 -8.163 1.00 24.05 C ATOM 1787 NE2 HIS A 122 -8.782 20.629 -7.002 1.00 13.33 N ATOM 0 H HIS A 122 -6.445 18.357 -3.978 1.00 61.41 H new ATOM 0 HA HIS A 122 -7.586 16.692 -5.982 1.00 23.53 H new ATOM 0 HB2 HIS A 122 -5.351 18.721 -5.914 1.00 1.21 H new ATOM 0 HB3 HIS A 122 -5.646 17.764 -7.352 1.00 1.21 H new ATOM 0 HD2 HIS A 122 -7.629 20.388 -5.155 1.00 34.21 H new ATOM 0 HE1 HIS A 122 -9.353 20.214 -9.019 1.00 24.05 H new ATOM 0 HE2 HIS A 122 -9.422 21.386 -6.761 1.00 13.33 H new ATOM 1796 N VAL A 123 -5.082 15.476 -4.532 1.00 71.24 N ATOM 1797 CA VAL A 123 -4.219 14.311 -4.474 1.00 50.22 C ATOM 1798 C VAL A 123 -5.002 13.040 -4.794 1.00 32.41 C ATOM 1799 O VAL A 123 -4.450 12.091 -5.330 1.00 54.21 O ATOM 1800 CB VAL A 123 -3.540 14.161 -3.089 1.00 41.30 C ATOM 1801 CG1 VAL A 123 -2.577 15.309 -2.841 1.00 3.45 C ATOM 1802 CG2 VAL A 123 -4.581 14.085 -1.974 1.00 45.50 C ATOM 0 H VAL A 123 -5.179 15.977 -3.649 1.00 71.24 H new ATOM 0 HA VAL A 123 -3.441 14.458 -5.223 1.00 50.22 H new ATOM 0 HB VAL A 123 -2.976 13.228 -3.089 1.00 41.30 H new ATOM 0 HG11 VAL A 123 -2.110 15.187 -1.864 1.00 3.45 H new ATOM 0 HG12 VAL A 123 -1.808 15.312 -3.613 1.00 3.45 H new ATOM 0 HG13 VAL A 123 -3.122 16.253 -2.867 1.00 3.45 H new ATOM 0 HG21 VAL A 123 -4.078 13.980 -1.013 1.00 45.50 H new ATOM 0 HG22 VAL A 123 -5.180 14.996 -1.972 1.00 45.50 H new ATOM 0 HG23 VAL A 123 -5.230 13.225 -2.140 1.00 45.50 H new ATOM 1812 N ARG A 124 -6.302 13.043 -4.482 1.00 0.34 N ATOM 1813 CA ARG A 124 -7.139 11.883 -4.751 1.00 44.22 C ATOM 1814 C ARG A 124 -7.393 11.748 -6.246 1.00 51.32 C ATOM 1815 O ARG A 124 -7.441 10.644 -6.773 1.00 12.14 O ATOM 1816 CB ARG A 124 -8.468 11.953 -3.986 1.00 31.31 C ATOM 1817 CG ARG A 124 -9.371 10.747 -4.239 1.00 11.43 C ATOM 1818 CD ARG A 124 -10.646 10.800 -3.412 1.00 21.45 C ATOM 1819 NE ARG A 124 -11.414 12.020 -3.658 1.00 14.44 N ATOM 1820 CZ ARG A 124 -12.410 12.127 -4.541 1.00 23.12 C ATOM 1821 NH1 ARG A 124 -12.754 11.089 -5.296 1.00 35.42 N ATOM 1822 NH2 ARG A 124 -13.062 13.279 -4.664 1.00 51.22 N ATOM 0 H ARG A 124 -6.787 13.828 -4.048 1.00 0.34 H new ATOM 0 HA ARG A 124 -6.603 11.000 -4.401 1.00 44.22 H new ATOM 0 HB2 ARG A 124 -8.262 12.027 -2.918 1.00 31.31 H new ATOM 0 HB3 ARG A 124 -8.997 12.862 -4.272 1.00 31.31 H new ATOM 0 HG2 ARG A 124 -9.628 10.704 -5.297 1.00 11.43 H new ATOM 0 HG3 ARG A 124 -8.826 9.832 -4.005 1.00 11.43 H new ATOM 0 HD2 ARG A 124 -11.263 9.932 -3.643 1.00 21.45 H new ATOM 0 HD3 ARG A 124 -10.393 10.739 -2.353 1.00 21.45 H new ATOM 0 HE ARG A 124 -11.171 12.849 -3.116 1.00 14.44 H new ATOM 0 HH11 ARG A 124 -12.256 10.204 -5.203 1.00 35.42 H new ATOM 0 HH12 ARG A 124 -13.516 11.178 -5.968 1.00 35.42 H new ATOM 0 HH21 ARG A 124 -12.801 14.077 -4.085 1.00 51.22 H new ATOM 0 HH22 ARG A 124 -13.823 13.365 -5.337 1.00 51.22 H new ATOM 1836 N ALA A 125 -7.534 12.883 -6.920 1.00 64.12 N ATOM 1837 CA ALA A 125 -7.750 12.906 -8.363 1.00 24.33 C ATOM 1838 C ALA A 125 -6.605 12.189 -9.074 1.00 53.35 C ATOM 1839 O ALA A 125 -6.822 11.272 -9.876 1.00 4.54 O ATOM 1840 CB ALA A 125 -7.856 14.351 -8.845 1.00 32.23 C ATOM 0 H ALA A 125 -7.502 13.806 -6.487 1.00 64.12 H new ATOM 0 HA ALA A 125 -8.681 12.388 -8.596 1.00 24.33 H new ATOM 0 HB1 ALA A 125 -8.017 14.364 -9.923 1.00 32.23 H new ATOM 0 HB2 ALA A 125 -8.693 14.840 -8.347 1.00 32.23 H new ATOM 0 HB3 ALA A 125 -6.933 14.882 -8.610 1.00 32.23 H new ATOM 1846 N ALA A 126 -5.391 12.613 -8.762 1.00 24.43 N ATOM 1847 CA ALA A 126 -4.190 12.013 -9.324 1.00 43.31 C ATOM 1848 C ALA A 126 -3.973 10.599 -8.798 1.00 33.13 C ATOM 1849 O ALA A 126 -3.371 9.768 -9.476 1.00 14.34 O ATOM 1850 CB ALA A 126 -2.987 12.883 -9.020 1.00 53.23 C ATOM 0 H ALA A 126 -5.210 13.380 -8.114 1.00 24.43 H new ATOM 0 HA ALA A 126 -4.319 11.945 -10.404 1.00 43.31 H new ATOM 0 HB1 ALA A 126 -2.092 12.427 -9.444 1.00 53.23 H new ATOM 0 HB2 ALA A 126 -3.133 13.871 -9.457 1.00 53.23 H new ATOM 0 HB3 ALA A 126 -2.870 12.977 -7.940 1.00 53.23 H new ATOM 1856 N LEU A 127 -4.467 10.334 -7.595 1.00 50.34 N ATOM 1857 CA LEU A 127 -4.359 9.012 -6.986 1.00 0.14 C ATOM 1858 C LEU A 127 -5.180 8.011 -7.796 1.00 42.22 C ATOM 1859 O LEU A 127 -4.671 6.979 -8.234 1.00 21.34 O ATOM 1860 CB LEU A 127 -4.877 9.060 -5.535 1.00 42.42 C ATOM 1861 CG LEU A 127 -4.180 8.145 -4.518 1.00 54.13 C ATOM 1862 CD1 LEU A 127 -4.212 6.691 -4.958 1.00 1.34 C ATOM 1863 CD2 LEU A 127 -2.755 8.609 -4.275 1.00 24.01 C ATOM 0 H LEU A 127 -4.950 11.022 -7.017 1.00 50.34 H new ATOM 0 HA LEU A 127 -3.314 8.702 -6.979 1.00 0.14 H new ATOM 0 HB2 LEU A 127 -4.795 10.087 -5.179 1.00 42.42 H new ATOM 0 HB3 LEU A 127 -5.938 8.810 -5.545 1.00 42.42 H new ATOM 0 HG LEU A 127 -4.730 8.211 -3.579 1.00 54.13 H new ATOM 0 HD11 LEU A 127 -3.709 6.074 -4.213 1.00 1.34 H new ATOM 0 HD12 LEU A 127 -5.247 6.365 -5.061 1.00 1.34 H new ATOM 0 HD13 LEU A 127 -3.703 6.590 -5.916 1.00 1.34 H new ATOM 0 HD21 LEU A 127 -2.276 7.949 -3.552 1.00 24.01 H new ATOM 0 HD22 LEU A 127 -2.199 8.584 -5.212 1.00 24.01 H new ATOM 0 HD23 LEU A 127 -2.765 9.627 -3.886 1.00 24.01 H new ATOM 1875 N GLU A 128 -6.451 8.340 -8.003 1.00 72.22 N ATOM 1876 CA GLU A 128 -7.358 7.494 -8.762 1.00 14.32 C ATOM 1877 C GLU A 128 -6.836 7.298 -10.176 1.00 33.32 C ATOM 1878 O GLU A 128 -6.809 6.180 -10.692 1.00 4.23 O ATOM 1879 CB GLU A 128 -8.755 8.116 -8.809 1.00 35.51 C ATOM 1880 CG GLU A 128 -9.390 8.318 -7.443 1.00 53.43 C ATOM 1881 CD GLU A 128 -10.717 9.036 -7.524 1.00 64.15 C ATOM 1882 OE1 GLU A 128 -10.724 10.277 -7.595 1.00 22.21 O ATOM 1883 OE2 GLU A 128 -11.764 8.362 -7.521 1.00 20.21 O ATOM 0 H GLU A 128 -6.877 9.197 -7.650 1.00 72.22 H new ATOM 0 HA GLU A 128 -7.419 6.525 -8.267 1.00 14.32 H new ATOM 0 HB2 GLU A 128 -8.695 9.079 -9.316 1.00 35.51 H new ATOM 0 HB3 GLU A 128 -9.405 7.479 -9.409 1.00 35.51 H new ATOM 0 HG2 GLU A 128 -9.533 7.349 -6.965 1.00 53.43 H new ATOM 0 HG3 GLU A 128 -8.710 8.888 -6.810 1.00 53.43 H new ATOM 1890 N ALA A 129 -6.430 8.399 -10.799 1.00 32.01 N ATOM 1891 CA ALA A 129 -5.888 8.382 -12.154 1.00 34.32 C ATOM 1892 C ALA A 129 -4.612 7.552 -12.272 1.00 33.12 C ATOM 1893 O ALA A 129 -4.262 7.108 -13.366 1.00 54.33 O ATOM 1894 CB ALA A 129 -5.627 9.802 -12.622 1.00 23.22 C ATOM 0 H ALA A 129 -6.467 9.328 -10.380 1.00 32.01 H new ATOM 0 HA ALA A 129 -6.635 7.908 -12.791 1.00 34.32 H new ATOM 0 HB1 ALA A 129 -5.223 9.783 -13.634 1.00 23.22 H new ATOM 0 HB2 ALA A 129 -6.560 10.365 -12.615 1.00 23.22 H new ATOM 0 HB3 ALA A 129 -4.910 10.279 -11.954 1.00 23.22 H new ATOM 1900 N ALA A 130 -3.912 7.348 -11.167 1.00 11.03 N ATOM 1901 CA ALA A 130 -2.668 6.594 -11.187 1.00 20.20 C ATOM 1902 C ALA A 130 -2.916 5.084 -11.247 1.00 63.41 C ATOM 1903 O ALA A 130 -2.059 4.320 -11.697 1.00 51.31 O ATOM 1904 CB ALA A 130 -1.823 6.953 -9.973 1.00 24.40 C ATOM 0 H ALA A 130 -4.183 7.693 -10.246 1.00 11.03 H new ATOM 0 HA ALA A 130 -2.126 6.866 -12.093 1.00 20.20 H new ATOM 0 HB1 ALA A 130 -0.893 6.384 -9.996 1.00 24.40 H new ATOM 0 HB2 ALA A 130 -1.597 8.019 -9.990 1.00 24.40 H new ATOM 0 HB3 ALA A 130 -2.373 6.713 -9.063 1.00 24.40 H new ATOM 1910 N LEU A 131 -4.103 4.663 -10.817 1.00 13.33 N ATOM 1911 CA LEU A 131 -4.454 3.238 -10.761 1.00 4.30 C ATOM 1912 C LEU A 131 -4.420 2.552 -12.151 1.00 34.22 C ATOM 1913 O LEU A 131 -3.843 1.468 -12.283 1.00 43.44 O ATOM 1914 CB LEU A 131 -5.820 3.031 -10.084 1.00 34.04 C ATOM 1915 CG LEU A 131 -5.933 3.534 -8.640 1.00 65.13 C ATOM 1916 CD1 LEU A 131 -7.350 3.351 -8.121 1.00 2.23 C ATOM 1917 CD2 LEU A 131 -4.938 2.813 -7.740 1.00 35.22 C ATOM 0 H LEU A 131 -4.844 5.288 -10.500 1.00 13.33 H new ATOM 0 HA LEU A 131 -3.686 2.756 -10.155 1.00 4.30 H new ATOM 0 HB2 LEU A 131 -6.581 3.531 -10.683 1.00 34.04 H new ATOM 0 HB3 LEU A 131 -6.053 1.966 -10.097 1.00 34.04 H new ATOM 0 HG LEU A 131 -5.696 4.598 -8.629 1.00 65.13 H new ATOM 0 HD11 LEU A 131 -7.411 3.713 -7.095 1.00 2.23 H new ATOM 0 HD12 LEU A 131 -8.042 3.914 -8.747 1.00 2.23 H new ATOM 0 HD13 LEU A 131 -7.614 2.294 -8.149 1.00 2.23 H new ATOM 0 HD21 LEU A 131 -5.035 3.185 -6.720 1.00 35.22 H new ATOM 0 HD22 LEU A 131 -5.142 1.742 -7.757 1.00 35.22 H new ATOM 0 HD23 LEU A 131 -3.925 2.995 -8.098 1.00 35.22 H new ATOM 1929 N PRO A 132 -5.043 3.157 -13.216 1.00 4.45 N ATOM 1930 CA PRO A 132 -5.025 2.578 -14.572 1.00 43.04 C ATOM 1931 C PRO A 132 -3.607 2.343 -15.096 1.00 23.12 C ATOM 1932 O PRO A 132 -3.383 1.457 -15.911 1.00 1.02 O ATOM 1933 CB PRO A 132 -5.736 3.633 -15.427 1.00 51.11 C ATOM 1934 CG PRO A 132 -6.596 4.370 -14.469 1.00 20.52 C ATOM 1935 CD PRO A 132 -5.828 4.411 -13.185 1.00 1.32 C ATOM 0 HA PRO A 132 -5.501 1.598 -14.592 1.00 43.04 H new ATOM 0 HB2 PRO A 132 -5.021 4.298 -15.912 1.00 51.11 H new ATOM 0 HB3 PRO A 132 -6.328 3.171 -16.217 1.00 51.11 H new ATOM 0 HG2 PRO A 132 -6.811 5.376 -14.829 1.00 20.52 H new ATOM 0 HG3 PRO A 132 -7.554 3.868 -14.336 1.00 20.52 H new ATOM 0 HD2 PRO A 132 -5.183 5.288 -13.130 1.00 1.32 H new ATOM 0 HD3 PRO A 132 -6.491 4.449 -12.321 1.00 1.32 H new ATOM 1943 N MET A 133 -2.658 3.141 -14.629 1.00 35.03 N ATOM 1944 CA MET A 133 -1.274 2.995 -15.052 1.00 62.22 C ATOM 1945 C MET A 133 -0.595 1.878 -14.254 1.00 2.34 C ATOM 1946 O MET A 133 0.225 1.121 -14.776 1.00 4.04 O ATOM 1947 CB MET A 133 -0.515 4.307 -14.872 1.00 62.44 C ATOM 1948 CG MET A 133 0.859 4.312 -15.524 1.00 34.32 C ATOM 1949 SD MET A 133 1.800 5.804 -15.156 1.00 33.11 S ATOM 1950 CE MET A 133 2.085 5.584 -13.401 1.00 75.35 C ATOM 0 H MET A 133 -2.820 3.893 -13.960 1.00 35.03 H new ATOM 0 HA MET A 133 -1.262 2.733 -16.110 1.00 62.22 H new ATOM 0 HB2 MET A 133 -1.109 5.120 -15.289 1.00 62.44 H new ATOM 0 HB3 MET A 133 -0.403 4.509 -13.807 1.00 62.44 H new ATOM 0 HG2 MET A 133 1.420 3.441 -15.185 1.00 34.32 H new ATOM 0 HG3 MET A 133 0.744 4.217 -16.604 1.00 34.32 H new ATOM 0 HE1 MET A 133 2.854 6.280 -13.067 1.00 75.35 H new ATOM 0 HE2 MET A 133 1.161 5.776 -12.856 1.00 75.35 H new ATOM 0 HE3 MET A 133 2.413 4.562 -13.211 1.00 75.35 H new ATOM 1960 N LEU A 134 -0.946 1.799 -12.973 1.00 2.51 N ATOM 1961 CA LEU A 134 -0.384 0.805 -12.060 1.00 63.12 C ATOM 1962 C LEU A 134 -0.746 -0.616 -12.486 1.00 70.00 C ATOM 1963 O LEU A 134 0.102 -1.512 -12.470 1.00 62.33 O ATOM 1964 CB LEU A 134 -0.874 1.071 -10.631 1.00 5.22 C ATOM 1965 CG LEU A 134 -0.487 0.027 -9.580 1.00 25.32 C ATOM 1966 CD1 LEU A 134 1.025 -0.092 -9.460 1.00 53.23 C ATOM 1967 CD2 LEU A 134 -1.107 0.375 -8.236 1.00 4.23 C ATOM 0 H LEU A 134 -1.627 2.421 -12.538 1.00 2.51 H new ATOM 0 HA LEU A 134 0.702 0.894 -12.092 1.00 63.12 H new ATOM 0 HB2 LEU A 134 -0.488 2.039 -10.311 1.00 5.22 H new ATOM 0 HB3 LEU A 134 -1.961 1.151 -10.651 1.00 5.22 H new ATOM 0 HG LEU A 134 -0.874 -0.940 -9.901 1.00 25.32 H new ATOM 0 HD11 LEU A 134 1.272 -0.840 -8.707 1.00 53.23 H new ATOM 0 HD12 LEU A 134 1.444 -0.392 -10.421 1.00 53.23 H new ATOM 0 HD13 LEU A 134 1.444 0.871 -9.166 1.00 53.23 H new ATOM 0 HD21 LEU A 134 -0.823 -0.376 -7.499 1.00 4.23 H new ATOM 0 HD22 LEU A 134 -0.750 1.353 -7.913 1.00 4.23 H new ATOM 0 HD23 LEU A 134 -2.193 0.398 -8.331 1.00 4.23 H new ATOM 1979 N ARG A 135 -2.010 -0.817 -12.853 1.00 62.33 N ATOM 1980 CA ARG A 135 -2.475 -2.135 -13.299 1.00 43.01 C ATOM 1981 C ARG A 135 -1.635 -2.655 -14.463 1.00 54.24 C ATOM 1982 O ARG A 135 -1.414 -3.856 -14.584 1.00 45.14 O ATOM 1983 CB ARG A 135 -3.954 -2.115 -13.683 1.00 42.43 C ATOM 1984 CG ARG A 135 -4.282 -1.199 -14.838 1.00 51.05 C ATOM 1985 CD ARG A 135 -5.732 -1.324 -15.237 1.00 64.52 C ATOM 1986 NE ARG A 135 -6.038 -2.644 -15.788 1.00 72.55 N ATOM 1987 CZ ARG A 135 -7.187 -3.296 -15.596 1.00 40.14 C ATOM 1988 NH1 ARG A 135 -8.152 -2.749 -14.859 1.00 75.23 N ATOM 1989 NH2 ARG A 135 -7.375 -4.489 -16.146 1.00 41.52 N ATOM 0 H ARG A 135 -2.728 -0.092 -12.852 1.00 62.33 H new ATOM 0 HA ARG A 135 -2.355 -2.814 -12.455 1.00 43.01 H new ATOM 0 HB2 ARG A 135 -4.265 -3.128 -13.938 1.00 42.43 H new ATOM 0 HB3 ARG A 135 -4.539 -1.811 -12.815 1.00 42.43 H new ATOM 0 HG2 ARG A 135 -4.066 -0.167 -14.560 1.00 51.05 H new ATOM 0 HG3 ARG A 135 -3.645 -1.440 -15.689 1.00 51.05 H new ATOM 0 HD2 ARG A 135 -6.364 -1.139 -14.369 1.00 64.52 H new ATOM 0 HD3 ARG A 135 -5.972 -0.559 -15.975 1.00 64.52 H new ATOM 0 HE ARG A 135 -5.324 -3.098 -16.358 1.00 72.55 H new ATOM 0 HH11 ARG A 135 -8.014 -1.830 -14.440 1.00 75.23 H new ATOM 0 HH12 ARG A 135 -9.029 -3.250 -14.714 1.00 75.23 H new ATOM 0 HH21 ARG A 135 -6.641 -4.909 -16.716 1.00 41.52 H new ATOM 0 HH22 ARG A 135 -8.253 -4.986 -15.998 1.00 41.52 H new ATOM 2003 N THR A 136 -1.173 -1.743 -15.315 1.00 31.34 N ATOM 2004 CA THR A 136 -0.316 -2.092 -16.430 1.00 60.32 C ATOM 2005 C THR A 136 0.944 -2.794 -15.926 1.00 3.23 C ATOM 2006 O THR A 136 1.321 -3.855 -16.418 1.00 71.41 O ATOM 2007 CB THR A 136 0.090 -0.826 -17.204 1.00 70.41 C ATOM 2008 OG1 THR A 136 -1.074 -0.037 -17.465 1.00 52.04 O ATOM 2009 CG2 THR A 136 0.768 -1.180 -18.518 1.00 2.31 C ATOM 0 H THR A 136 -1.385 -0.747 -15.247 1.00 31.34 H new ATOM 0 HA THR A 136 -0.867 -2.762 -17.091 1.00 60.32 H new ATOM 0 HB THR A 136 0.797 -0.262 -16.596 1.00 70.41 H new ATOM 0 HG1 THR A 136 -1.632 -0.488 -18.132 1.00 52.04 H new ATOM 0 HG21 THR A 136 1.044 -0.265 -19.043 1.00 2.31 H new ATOM 0 HG22 THR A 136 1.664 -1.768 -18.318 1.00 2.31 H new ATOM 0 HG23 THR A 136 0.083 -1.761 -19.136 1.00 2.31 H new ATOM 2017 N GLN A 137 1.566 -2.200 -14.920 1.00 31.11 N ATOM 2018 CA GLN A 137 2.785 -2.731 -14.329 1.00 73.12 C ATOM 2019 C GLN A 137 2.531 -4.065 -13.644 1.00 52.53 C ATOM 2020 O GLN A 137 3.270 -5.032 -13.847 1.00 22.12 O ATOM 2021 CB GLN A 137 3.333 -1.744 -13.296 1.00 32.41 C ATOM 2022 CG GLN A 137 3.722 -0.393 -13.862 1.00 33.54 C ATOM 2023 CD GLN A 137 4.890 -0.479 -14.813 1.00 71.34 C ATOM 2024 OE1 GLN A 137 5.739 -1.359 -14.693 1.00 12.10 O ATOM 2025 NE2 GLN A 137 4.953 0.438 -15.752 1.00 70.23 N ATOM 0 H GLN A 137 1.240 -1.335 -14.489 1.00 31.11 H new ATOM 0 HA GLN A 137 3.507 -2.879 -15.132 1.00 73.12 H new ATOM 0 HB2 GLN A 137 2.582 -1.596 -12.520 1.00 32.41 H new ATOM 0 HB3 GLN A 137 4.205 -2.187 -12.816 1.00 32.41 H new ATOM 0 HG2 GLN A 137 2.867 0.040 -14.381 1.00 33.54 H new ATOM 0 HG3 GLN A 137 3.973 0.281 -13.043 1.00 33.54 H new ATOM 0 HE21 GLN A 137 4.227 1.152 -15.817 1.00 70.23 H new ATOM 0 HE22 GLN A 137 5.728 0.436 -16.416 1.00 70.23 H new ATOM 2034 N LEU A 138 1.475 -4.113 -12.850 1.00 62.25 N ATOM 2035 CA LEU A 138 1.163 -5.289 -12.056 1.00 51.41 C ATOM 2036 C LEU A 138 0.684 -6.470 -12.891 1.00 41.41 C ATOM 2037 O LEU A 138 1.217 -7.573 -12.755 1.00 34.31 O ATOM 2038 CB LEU A 138 0.133 -4.958 -10.977 1.00 12.55 C ATOM 2039 CG LEU A 138 0.583 -3.957 -9.909 1.00 65.41 C ATOM 2040 CD1 LEU A 138 -0.521 -3.740 -8.893 1.00 3.24 C ATOM 2041 CD2 LEU A 138 1.855 -4.436 -9.220 1.00 22.11 C ATOM 0 H LEU A 138 0.814 -3.344 -12.738 1.00 62.25 H new ATOM 0 HA LEU A 138 2.099 -5.592 -11.586 1.00 51.41 H new ATOM 0 HB2 LEU A 138 -0.760 -4.565 -11.463 1.00 12.55 H new ATOM 0 HB3 LEU A 138 -0.156 -5.885 -10.481 1.00 12.55 H new ATOM 0 HG LEU A 138 0.799 -3.007 -10.398 1.00 65.41 H new ATOM 0 HD11 LEU A 138 -0.187 -3.026 -8.140 1.00 3.24 H new ATOM 0 HD12 LEU A 138 -1.406 -3.350 -9.395 1.00 3.24 H new ATOM 0 HD13 LEU A 138 -0.764 -4.687 -8.412 1.00 3.24 H new ATOM 0 HD21 LEU A 138 2.156 -3.709 -8.465 1.00 22.11 H new ATOM 0 HD22 LEU A 138 1.670 -5.399 -8.743 1.00 22.11 H new ATOM 0 HD23 LEU A 138 2.650 -4.543 -9.958 1.00 22.11 H new ATOM 2053 N ALA A 139 -0.309 -6.251 -13.758 1.00 62.34 N ATOM 2054 CA ALA A 139 -0.912 -7.345 -14.534 1.00 51.40 C ATOM 2055 C ALA A 139 0.114 -8.097 -15.357 1.00 15.41 C ATOM 2056 O ALA A 139 0.079 -9.325 -15.439 1.00 51.42 O ATOM 2057 CB ALA A 139 -2.026 -6.818 -15.427 1.00 24.52 C ATOM 0 H ALA A 139 -0.712 -5.332 -13.941 1.00 62.34 H new ATOM 0 HA ALA A 139 -1.334 -8.051 -13.818 1.00 51.40 H new ATOM 0 HB1 ALA A 139 -2.459 -7.643 -15.993 1.00 24.52 H new ATOM 0 HB2 ALA A 139 -2.797 -6.355 -14.812 1.00 24.52 H new ATOM 0 HB3 ALA A 139 -1.620 -6.078 -16.117 1.00 24.52 H new ATOM 2063 N GLU A 140 1.036 -7.362 -15.949 1.00 52.12 N ATOM 2064 CA GLU A 140 2.072 -7.967 -16.773 1.00 24.02 C ATOM 2065 C GLU A 140 3.225 -8.495 -15.917 1.00 33.14 C ATOM 2066 O GLU A 140 4.308 -8.806 -16.421 1.00 32.02 O ATOM 2067 CB GLU A 140 2.565 -6.974 -17.818 1.00 70.53 C ATOM 2068 CG GLU A 140 1.448 -6.431 -18.698 1.00 32.11 C ATOM 2069 CD GLU A 140 1.957 -5.634 -19.871 1.00 75.05 C ATOM 2070 OE1 GLU A 140 2.314 -6.249 -20.900 1.00 12.14 O ATOM 2071 OE2 GLU A 140 1.994 -4.386 -19.787 1.00 75.32 O ATOM 0 H GLU A 140 1.091 -6.346 -15.877 1.00 52.12 H new ATOM 0 HA GLU A 140 1.640 -8.822 -17.293 1.00 24.02 H new ATOM 0 HB2 GLU A 140 3.061 -6.143 -17.316 1.00 70.53 H new ATOM 0 HB3 GLU A 140 3.312 -7.458 -18.447 1.00 70.53 H new ATOM 0 HG2 GLU A 140 0.845 -7.262 -19.065 1.00 32.11 H new ATOM 0 HG3 GLU A 140 0.792 -5.802 -18.096 1.00 32.11 H new ATOM 2078 N SER A 141 2.981 -8.588 -14.620 1.00 12.22 N ATOM 2079 CA SER A 141 3.936 -9.138 -13.688 1.00 60.40 C ATOM 2080 C SER A 141 3.307 -10.322 -12.934 1.00 43.04 C ATOM 2081 O SER A 141 4.007 -11.101 -12.288 1.00 44.24 O ATOM 2082 CB SER A 141 4.410 -8.056 -12.701 1.00 45.51 C ATOM 2083 OG SER A 141 5.474 -8.525 -11.882 1.00 62.02 O ATOM 0 H SER A 141 2.109 -8.281 -14.188 1.00 12.22 H new ATOM 0 HA SER A 141 4.804 -9.496 -14.241 1.00 60.40 H new ATOM 0 HB2 SER A 141 4.737 -7.176 -13.255 1.00 45.51 H new ATOM 0 HB3 SER A 141 3.576 -7.745 -12.072 1.00 45.51 H new ATOM 0 HG SER A 141 5.426 -9.501 -11.811 1.00 62.02 H new ATOM 2089 N GLY A 142 1.983 -10.447 -13.029 1.00 21.43 N ATOM 2090 CA GLY A 142 1.291 -11.545 -12.376 1.00 32.01 C ATOM 2091 C GLY A 142 0.196 -11.071 -11.438 1.00 14.31 C ATOM 2092 O GLY A 142 -0.854 -11.706 -11.327 1.00 64.24 O ATOM 0 H GLY A 142 1.380 -9.808 -13.546 1.00 21.43 H new ATOM 0 HA2 GLY A 142 0.858 -12.198 -13.134 1.00 32.01 H new ATOM 0 HA3 GLY A 142 2.011 -12.141 -11.816 1.00 32.01 H new ATOM 2096 N ILE A 143 0.439 -9.956 -10.770 1.00 61.22 N ATOM 2097 CA ILE A 143 -0.515 -9.402 -9.814 1.00 22.33 C ATOM 2098 C ILE A 143 -1.587 -8.573 -10.534 1.00 15.14 C ATOM 2099 O ILE A 143 -1.351 -8.034 -11.596 1.00 1.34 O ATOM 2100 CB ILE A 143 0.208 -8.504 -8.741 1.00 10.34 C ATOM 2101 CG1 ILE A 143 1.312 -9.285 -8.001 1.00 35.13 C ATOM 2102 CG2 ILE A 143 -0.783 -7.937 -7.731 1.00 43.15 C ATOM 2103 CD1 ILE A 143 2.630 -9.382 -8.749 1.00 3.14 C ATOM 0 H ILE A 143 1.295 -9.410 -10.871 1.00 61.22 H new ATOM 0 HA ILE A 143 -0.990 -10.241 -9.306 1.00 22.33 H new ATOM 0 HB ILE A 143 0.669 -7.677 -9.282 1.00 10.34 H new ATOM 0 HG12 ILE A 143 1.491 -8.809 -7.037 1.00 35.13 H new ATOM 0 HG13 ILE A 143 0.951 -10.293 -7.797 1.00 35.13 H new ATOM 0 HG21 ILE A 143 -0.251 -7.322 -7.005 1.00 43.15 H new ATOM 0 HG22 ILE A 143 -1.523 -7.327 -8.250 1.00 43.15 H new ATOM 0 HG23 ILE A 143 -1.285 -8.755 -7.215 1.00 43.15 H new ATOM 0 HD11 ILE A 143 3.346 -9.948 -8.153 1.00 3.14 H new ATOM 0 HD12 ILE A 143 2.471 -9.887 -9.702 1.00 3.14 H new ATOM 0 HD13 ILE A 143 3.020 -8.380 -8.930 1.00 3.14 H new ATOM 2115 N GLN A 144 -2.761 -8.492 -9.941 1.00 2.55 N ATOM 2116 CA GLN A 144 -3.872 -7.767 -10.522 1.00 51.13 C ATOM 2117 C GLN A 144 -4.589 -6.958 -9.454 1.00 23.21 C ATOM 2118 O GLN A 144 -4.810 -7.445 -8.345 1.00 71.43 O ATOM 2119 CB GLN A 144 -4.857 -8.735 -11.189 1.00 33.25 C ATOM 2120 CG GLN A 144 -4.253 -9.552 -12.322 1.00 71.30 C ATOM 2121 CD GLN A 144 -5.253 -10.486 -12.961 1.00 5.31 C ATOM 2122 OE1 GLN A 144 -5.944 -10.116 -13.912 1.00 50.24 O ATOM 2123 NE2 GLN A 144 -5.338 -11.699 -12.451 1.00 32.41 N ATOM 0 H GLN A 144 -2.971 -8.927 -9.043 1.00 2.55 H new ATOM 0 HA GLN A 144 -3.479 -7.089 -11.279 1.00 51.13 H new ATOM 0 HB2 GLN A 144 -5.249 -9.416 -10.433 1.00 33.25 H new ATOM 0 HB3 GLN A 144 -5.703 -8.167 -11.576 1.00 33.25 H new ATOM 0 HG2 GLN A 144 -3.856 -8.877 -13.080 1.00 71.30 H new ATOM 0 HG3 GLN A 144 -3.413 -10.132 -11.939 1.00 71.30 H new ATOM 0 HE21 GLN A 144 -4.747 -11.964 -11.663 1.00 32.41 H new ATOM 0 HE22 GLN A 144 -5.995 -12.373 -12.844 1.00 32.41 H new ATOM 2132 N LEU A 145 -4.904 -5.711 -9.774 1.00 11.11 N ATOM 2133 CA LEU A 145 -5.637 -4.847 -8.857 1.00 74.11 C ATOM 2134 C LEU A 145 -6.986 -5.449 -8.496 1.00 54.34 C ATOM 2135 O LEU A 145 -7.794 -5.763 -9.376 1.00 31.22 O ATOM 2136 CB LEU A 145 -5.846 -3.455 -9.464 1.00 35.31 C ATOM 2137 CG LEU A 145 -4.586 -2.621 -9.701 1.00 5.05 C ATOM 2138 CD1 LEU A 145 -4.953 -1.263 -10.277 1.00 55.33 C ATOM 2139 CD2 LEU A 145 -3.810 -2.450 -8.408 1.00 14.51 C ATOM 0 H LEU A 145 -4.663 -5.273 -10.663 1.00 11.11 H new ATOM 0 HA LEU A 145 -5.038 -4.754 -7.951 1.00 74.11 H new ATOM 0 HB2 LEU A 145 -6.363 -3.572 -10.417 1.00 35.31 H new ATOM 0 HB3 LEU A 145 -6.510 -2.892 -8.808 1.00 35.31 H new ATOM 0 HG LEU A 145 -3.954 -3.146 -10.417 1.00 5.05 H new ATOM 0 HD11 LEU A 145 -4.047 -0.680 -10.441 1.00 55.33 H new ATOM 0 HD12 LEU A 145 -5.473 -1.399 -11.225 1.00 55.33 H new ATOM 0 HD13 LEU A 145 -5.603 -0.735 -9.579 1.00 55.33 H new ATOM 0 HD21 LEU A 145 -2.917 -1.854 -8.596 1.00 14.51 H new ATOM 0 HD22 LEU A 145 -4.436 -1.944 -7.672 1.00 14.51 H new ATOM 0 HD23 LEU A 145 -3.520 -3.429 -8.026 1.00 14.51 H new ATOM 2151 N GLY A 146 -7.217 -5.617 -7.211 1.00 54.54 N ATOM 2152 CA GLY A 146 -8.474 -6.143 -6.749 1.00 41.34 C ATOM 2153 C GLY A 146 -9.427 -5.031 -6.395 1.00 23.13 C ATOM 2154 O GLY A 146 -10.174 -4.545 -7.246 1.00 1.34 O ATOM 0 H GLY A 146 -6.549 -5.396 -6.473 1.00 54.54 H new ATOM 0 HA2 GLY A 146 -8.915 -6.772 -7.522 1.00 41.34 H new ATOM 0 HA3 GLY A 146 -8.309 -6.777 -5.878 1.00 41.34 H new ATOM 2158 N GLN A 147 -9.408 -4.628 -5.142 1.00 44.34 N ATOM 2159 CA GLN A 147 -10.241 -3.536 -4.681 1.00 34.11 C ATOM 2160 C GLN A 147 -9.391 -2.286 -4.495 1.00 34.42 C ATOM 2161 O GLN A 147 -8.159 -2.354 -4.509 1.00 33.13 O ATOM 2162 CB GLN A 147 -10.948 -3.891 -3.356 1.00 52.42 C ATOM 2163 CG GLN A 147 -11.786 -5.167 -3.399 1.00 43.41 C ATOM 2164 CD GLN A 147 -10.941 -6.432 -3.380 1.00 3.33 C ATOM 2165 OE1 GLN A 147 -9.858 -6.466 -2.794 1.00 24.42 O ATOM 2166 NE2 GLN A 147 -11.423 -7.470 -4.026 1.00 73.11 N ATOM 0 H GLN A 147 -8.820 -5.044 -4.419 1.00 44.34 H new ATOM 0 HA GLN A 147 -11.008 -3.351 -5.433 1.00 34.11 H new ATOM 0 HB2 GLN A 147 -10.195 -3.994 -2.575 1.00 52.42 H new ATOM 0 HB3 GLN A 147 -11.592 -3.059 -3.070 1.00 52.42 H new ATOM 0 HG2 GLN A 147 -12.466 -5.178 -2.547 1.00 43.41 H new ATOM 0 HG3 GLN A 147 -12.402 -5.161 -4.298 1.00 43.41 H new ATOM 0 HE21 GLN A 147 -12.324 -7.403 -4.499 1.00 73.11 H new ATOM 0 HE22 GLN A 147 -10.896 -8.343 -4.054 1.00 73.11 H new ATOM 2175 N SER A 148 -10.036 -1.153 -4.337 1.00 33.15 N ATOM 2176 CA SER A 148 -9.338 0.095 -4.110 1.00 14.21 C ATOM 2177 C SER A 148 -10.150 0.980 -3.177 1.00 30.12 C ATOM 2178 O SER A 148 -11.377 1.016 -3.262 1.00 50.22 O ATOM 2179 CB SER A 148 -9.079 0.811 -5.442 1.00 74.01 C ATOM 2180 OG SER A 148 -8.333 -0.015 -6.324 1.00 53.25 O ATOM 0 H SER A 148 -11.052 -1.069 -4.362 1.00 33.15 H new ATOM 0 HA SER A 148 -8.376 -0.117 -3.643 1.00 14.21 H new ATOM 0 HB2 SER A 148 -10.028 1.081 -5.905 1.00 74.01 H new ATOM 0 HB3 SER A 148 -8.537 1.739 -5.261 1.00 74.01 H new ATOM 0 HG SER A 148 -8.317 0.390 -7.216 1.00 53.25 H new ATOM 2186 N SER A 149 -9.475 1.660 -2.274 1.00 51.22 N ATOM 2187 CA SER A 149 -10.138 2.545 -1.332 1.00 30.34 C ATOM 2188 C SER A 149 -9.230 3.709 -0.962 1.00 11.42 C ATOM 2189 O SER A 149 -8.021 3.539 -0.804 1.00 23.00 O ATOM 2190 CB SER A 149 -10.553 1.774 -0.074 1.00 4.12 C ATOM 2191 OG SER A 149 -11.454 0.722 -0.391 1.00 33.04 O ATOM 0 H SER A 149 -8.461 1.618 -2.170 1.00 51.22 H new ATOM 0 HA SER A 149 -11.034 2.943 -1.808 1.00 30.34 H new ATOM 0 HB2 SER A 149 -9.668 1.364 0.413 1.00 4.12 H new ATOM 0 HB3 SER A 149 -11.021 2.456 0.636 1.00 4.12 H new ATOM 0 HG SER A 149 -11.064 -0.135 -0.121 1.00 33.04 H new ATOM 2197 N ILE A 150 -9.817 4.882 -0.817 1.00 71.41 N ATOM 2198 CA ILE A 150 -9.078 6.084 -0.477 1.00 72.41 C ATOM 2199 C ILE A 150 -9.836 6.841 0.603 1.00 2.54 C ATOM 2200 O ILE A 150 -10.920 7.369 0.356 1.00 54.41 O ATOM 2201 CB ILE A 150 -8.882 7.013 -1.706 1.00 51.22 C ATOM 2202 CG1 ILE A 150 -8.176 6.262 -2.845 1.00 1.12 C ATOM 2203 CG2 ILE A 150 -8.085 8.257 -1.311 1.00 34.12 C ATOM 2204 CD1 ILE A 150 -8.032 7.070 -4.119 1.00 5.33 C ATOM 0 H ILE A 150 -10.820 5.029 -0.932 1.00 71.41 H new ATOM 0 HA ILE A 150 -8.091 5.784 -0.124 1.00 72.41 H new ATOM 0 HB ILE A 150 -9.864 7.327 -2.060 1.00 51.22 H new ATOM 0 HG12 ILE A 150 -7.186 5.957 -2.506 1.00 1.12 H new ATOM 0 HG13 ILE A 150 -8.732 5.351 -3.066 1.00 1.12 H new ATOM 0 HG21 ILE A 150 -7.956 8.898 -2.183 1.00 34.12 H new ATOM 0 HG22 ILE A 150 -8.623 8.803 -0.536 1.00 34.12 H new ATOM 0 HG23 ILE A 150 -7.108 7.958 -0.933 1.00 34.12 H new ATOM 0 HD11 ILE A 150 -7.524 6.471 -4.875 1.00 5.33 H new ATOM 0 HD12 ILE A 150 -9.019 7.353 -4.484 1.00 5.33 H new ATOM 0 HD13 ILE A 150 -7.449 7.968 -3.916 1.00 5.33 H new ATOM 2216 N SER A 151 -9.286 6.877 1.790 1.00 44.12 N ATOM 2217 CA SER A 151 -9.942 7.524 2.900 1.00 4.42 C ATOM 2218 C SER A 151 -9.209 8.793 3.298 1.00 54.23 C ATOM 2219 O SER A 151 -7.984 8.800 3.437 1.00 51.44 O ATOM 2220 CB SER A 151 -10.040 6.568 4.092 1.00 21.01 C ATOM 2221 OG SER A 151 -10.820 7.129 5.138 1.00 54.41 O ATOM 0 H SER A 151 -8.381 6.464 2.014 1.00 44.12 H new ATOM 0 HA SER A 151 -10.950 7.798 2.587 1.00 4.42 H new ATOM 0 HB2 SER A 151 -10.483 5.625 3.770 1.00 21.01 H new ATOM 0 HB3 SER A 151 -9.040 6.341 4.462 1.00 21.01 H new ATOM 0 HG SER A 151 -10.868 6.497 5.886 1.00 54.41 H new ATOM 2227 N SER A 152 -9.955 9.862 3.482 1.00 22.52 N ATOM 2228 CA SER A 152 -9.385 11.124 3.895 1.00 33.15 C ATOM 2229 C SER A 152 -9.245 11.171 5.409 1.00 64.30 C ATOM 2230 O SER A 152 -9.868 12.003 6.076 1.00 4.45 O ATOM 2231 CB SER A 152 -10.247 12.274 3.385 1.00 31.34 C ATOM 2232 OG SER A 152 -10.327 12.239 1.969 1.00 52.30 O ATOM 0 H SER A 152 -10.966 9.880 3.350 1.00 22.52 H new ATOM 0 HA SER A 152 -8.389 11.225 3.464 1.00 33.15 H new ATOM 0 HB2 SER A 152 -11.247 12.206 3.814 1.00 31.34 H new ATOM 0 HB3 SER A 152 -9.825 13.225 3.709 1.00 31.34 H new ATOM 0 HG SER A 152 -11.265 12.301 1.693 1.00 52.30 H new ATOM 2238 N GLU A 153 -8.420 10.249 5.942 1.00 64.35 N ATOM 2239 CA GLU A 153 -8.196 10.079 7.391 1.00 4.44 C ATOM 2240 C GLU A 153 -9.426 9.441 8.042 1.00 31.13 C ATOM 2241 O GLU A 153 -9.324 8.465 8.786 1.00 20.23 O ATOM 2242 CB GLU A 153 -7.830 11.413 8.073 1.00 53.31 C ATOM 2243 CG GLU A 153 -6.610 12.095 7.463 1.00 64.51 C ATOM 2244 CD GLU A 153 -6.145 13.295 8.260 1.00 41.54 C ATOM 2245 OE1 GLU A 153 -6.655 14.415 8.027 1.00 12.35 O ATOM 2246 OE2 GLU A 153 -5.257 13.125 9.124 1.00 23.15 O ATOM 0 H GLU A 153 -7.884 9.594 5.372 1.00 64.35 H new ATOM 0 HA GLU A 153 -7.345 9.411 7.526 1.00 4.44 H new ATOM 0 HB2 GLU A 153 -8.683 12.089 8.011 1.00 53.31 H new ATOM 0 HB3 GLU A 153 -7.643 11.231 9.131 1.00 53.31 H new ATOM 0 HG2 GLU A 153 -5.795 11.375 7.392 1.00 64.51 H new ATOM 0 HG3 GLU A 153 -6.847 12.410 6.447 1.00 64.51 H new ATOM 2253 N SER A 154 -10.572 9.983 7.723 1.00 11.21 N ATOM 2254 CA SER A 154 -11.841 9.497 8.184 1.00 52.11 C ATOM 2255 C SER A 154 -12.922 10.071 7.276 1.00 53.12 C ATOM 2256 O SER A 154 -12.600 10.703 6.268 1.00 41.42 O ATOM 2257 CB SER A 154 -12.067 9.905 9.648 1.00 42.33 C ATOM 2258 OG SER A 154 -11.742 11.277 9.857 1.00 74.32 O ATOM 0 H SER A 154 -10.648 10.800 7.117 1.00 11.21 H new ATOM 0 HA SER A 154 -11.872 8.408 8.144 1.00 52.11 H new ATOM 0 HB2 SER A 154 -13.108 9.730 9.921 1.00 42.33 H new ATOM 0 HB3 SER A 154 -11.457 9.281 10.301 1.00 42.33 H new ATOM 0 HG SER A 154 -11.897 11.510 10.796 1.00 74.32 H new ATOM 2264 N PHE A 155 -14.177 9.865 7.602 1.00 73.32 N ATOM 2265 CA PHE A 155 -15.236 10.416 6.783 1.00 63.52 C ATOM 2266 C PHE A 155 -15.962 11.539 7.515 1.00 23.23 C ATOM 2267 O PHE A 155 -16.780 11.302 8.410 1.00 12.20 O ATOM 2268 CB PHE A 155 -16.209 9.316 6.305 1.00 74.23 C ATOM 2269 CG PHE A 155 -16.711 8.394 7.386 1.00 73.31 C ATOM 2270 CD1 PHE A 155 -15.913 7.370 7.868 1.00 72.34 C ATOM 2271 CD2 PHE A 155 -17.982 8.546 7.912 1.00 65.31 C ATOM 2272 CE1 PHE A 155 -16.373 6.520 8.848 1.00 2.51 C ATOM 2273 CE2 PHE A 155 -18.443 7.698 8.895 1.00 21.03 C ATOM 2274 CZ PHE A 155 -17.637 6.684 9.364 1.00 60.34 C ATOM 0 H PHE A 155 -14.488 9.330 8.413 1.00 73.32 H new ATOM 0 HA PHE A 155 -14.782 10.848 5.891 1.00 63.52 H new ATOM 0 HB2 PHE A 155 -17.066 9.792 5.828 1.00 74.23 H new ATOM 0 HB3 PHE A 155 -15.711 8.718 5.542 1.00 74.23 H new ATOM 0 HD1 PHE A 155 -14.918 7.237 7.470 1.00 72.34 H new ATOM 0 HD2 PHE A 155 -18.619 9.338 7.548 1.00 65.31 H new ATOM 0 HE1 PHE A 155 -15.741 5.724 9.212 1.00 2.51 H new ATOM 0 HE2 PHE A 155 -19.436 7.828 9.298 1.00 21.03 H new ATOM 0 HZ PHE A 155 -17.997 6.019 10.135 1.00 60.34 H new ATOM 2284 N ALA A 156 -15.620 12.765 7.150 1.00 23.22 N ATOM 2285 CA ALA A 156 -16.218 13.959 7.728 1.00 13.13 C ATOM 2286 C ALA A 156 -15.832 15.182 6.908 1.00 1.11 C ATOM 2287 O ALA A 156 -14.793 15.795 7.153 1.00 31.34 O ATOM 2288 CB ALA A 156 -15.779 14.135 9.181 1.00 63.41 C ATOM 0 H ALA A 156 -14.915 12.961 6.440 1.00 23.22 H new ATOM 0 HA ALA A 156 -17.302 13.847 7.711 1.00 13.13 H new ATOM 0 HB1 ALA A 156 -16.238 15.034 9.593 1.00 63.41 H new ATOM 0 HB2 ALA A 156 -16.092 13.268 9.763 1.00 63.41 H new ATOM 0 HB3 ALA A 156 -14.694 14.229 9.224 1.00 63.41 H new ATOM 2294 N GLY A 157 -16.641 15.529 5.932 1.00 72.11 N ATOM 2295 CA GLY A 157 -16.315 16.660 5.090 1.00 12.22 C ATOM 2296 C GLY A 157 -17.534 17.403 4.617 1.00 24.33 C ATOM 2297 O GLY A 157 -17.724 17.600 3.417 1.00 51.12 O ATOM 0 H GLY A 157 -17.515 15.055 5.703 1.00 72.11 H new ATOM 0 HA2 GLY A 157 -15.669 17.344 5.641 1.00 12.22 H new ATOM 0 HA3 GLY A 157 -15.748 16.313 4.226 1.00 12.22 H new ATOM 2301 N GLN A 158 -18.367 17.808 5.550 1.00 73.43 N ATOM 2302 CA GLN A 158 -19.571 18.543 5.220 1.00 34.23 C ATOM 2303 C GLN A 158 -19.261 20.023 4.988 1.00 41.22 C ATOM 2304 O GLN A 158 -18.413 20.608 5.673 1.00 52.20 O ATOM 2305 CB GLN A 158 -20.632 18.365 6.311 1.00 11.12 C ATOM 2306 CG GLN A 158 -20.180 18.778 7.702 1.00 55.31 C ATOM 2307 CD GLN A 158 -21.186 18.399 8.769 1.00 62.14 C ATOM 2308 OE1 GLN A 158 -21.900 17.408 8.639 1.00 41.53 O ATOM 2309 NE2 GLN A 158 -21.245 19.175 9.828 1.00 0.11 N ATOM 0 H GLN A 158 -18.233 17.641 6.547 1.00 73.43 H new ATOM 0 HA GLN A 158 -19.973 18.138 4.291 1.00 34.23 H new ATOM 0 HB2 GLN A 158 -21.514 18.947 6.041 1.00 11.12 H new ATOM 0 HB3 GLN A 158 -20.936 17.319 6.337 1.00 11.12 H new ATOM 0 HG2 GLN A 158 -19.222 18.308 7.925 1.00 55.31 H new ATOM 0 HG3 GLN A 158 -20.019 19.856 7.724 1.00 55.31 H new ATOM 0 HE21 GLN A 158 -20.635 19.989 9.898 1.00 0.11 H new ATOM 0 HE22 GLN A 158 -21.901 18.963 10.580 1.00 0.11 H new ATOM 2318 N GLN A 159 -19.942 20.615 4.024 1.00 73.21 N ATOM 2319 CA GLN A 159 -19.749 22.019 3.683 1.00 34.31 C ATOM 2320 C GLN A 159 -20.953 22.544 2.917 1.00 0.24 C ATOM 2321 O GLN A 159 -21.393 21.933 1.936 1.00 15.52 O ATOM 2322 CB GLN A 159 -18.480 22.204 2.838 1.00 63.21 C ATOM 2323 CG GLN A 159 -18.217 23.652 2.443 1.00 3.12 C ATOM 2324 CD GLN A 159 -17.010 23.814 1.543 1.00 70.33 C ATOM 2325 OE1 GLN A 159 -16.676 22.927 0.761 1.00 2.10 O ATOM 2326 NE2 GLN A 159 -16.350 24.952 1.648 1.00 14.25 N ATOM 0 H GLN A 159 -20.643 20.141 3.455 1.00 73.21 H new ATOM 0 HA GLN A 159 -19.638 22.581 4.610 1.00 34.31 H new ATOM 0 HB2 GLN A 159 -17.623 21.827 3.397 1.00 63.21 H new ATOM 0 HB3 GLN A 159 -18.563 21.599 1.935 1.00 63.21 H new ATOM 0 HG2 GLN A 159 -19.096 24.049 1.936 1.00 3.12 H new ATOM 0 HG3 GLN A 159 -18.073 24.247 3.344 1.00 3.12 H new ATOM 0 HE21 GLN A 159 -16.661 25.663 2.310 1.00 14.25 H new ATOM 0 HE22 GLN A 159 -15.529 25.121 1.067 1.00 14.25 H new ATOM 2335 N GLN A 160 -21.483 23.665 3.361 1.00 42.42 N ATOM 2336 CA GLN A 160 -22.633 24.264 2.722 1.00 11.12 C ATOM 2337 C GLN A 160 -22.193 25.202 1.607 1.00 61.42 C ATOM 2338 O GLN A 160 -21.825 26.352 1.857 1.00 64.53 O ATOM 2339 CB GLN A 160 -23.485 25.019 3.746 1.00 2.32 C ATOM 2340 CG GLN A 160 -24.711 25.697 3.150 1.00 4.40 C ATOM 2341 CD GLN A 160 -25.503 26.468 4.182 1.00 40.22 C ATOM 2342 OE1 GLN A 160 -25.246 27.650 4.426 1.00 32.12 O ATOM 2343 NE2 GLN A 160 -26.469 25.814 4.795 1.00 32.34 N ATOM 0 H GLN A 160 -21.132 24.181 4.167 1.00 42.42 H new ATOM 0 HA GLN A 160 -23.238 23.468 2.289 1.00 11.12 H new ATOM 0 HB2 GLN A 160 -23.808 24.322 4.520 1.00 2.32 H new ATOM 0 HB3 GLN A 160 -22.866 25.773 4.233 1.00 2.32 H new ATOM 0 HG2 GLN A 160 -24.398 26.375 2.356 1.00 4.40 H new ATOM 0 HG3 GLN A 160 -25.352 24.944 2.692 1.00 4.40 H new ATOM 0 HE21 GLN A 160 -26.650 24.837 4.564 1.00 32.34 H new ATOM 0 HE22 GLN A 160 -27.036 26.285 5.500 1.00 32.34 H new ATOM 2352 N SER A 161 -22.200 24.705 0.389 1.00 42.10 N ATOM 2353 CA SER A 161 -21.841 25.512 -0.752 1.00 72.31 C ATOM 2354 C SER A 161 -23.007 26.428 -1.114 1.00 1.11 C ATOM 2355 O SER A 161 -24.167 26.002 -1.094 1.00 3.45 O ATOM 2356 CB SER A 161 -21.463 24.616 -1.932 1.00 55.51 C ATOM 2357 OG SER A 161 -20.452 23.686 -1.555 1.00 75.11 O ATOM 0 H SER A 161 -22.452 23.742 0.165 1.00 42.10 H new ATOM 0 HA SER A 161 -20.976 26.128 -0.506 1.00 72.31 H new ATOM 0 HB2 SER A 161 -22.344 24.080 -2.285 1.00 55.51 H new ATOM 0 HB3 SER A 161 -21.110 25.229 -2.761 1.00 55.51 H new ATOM 0 HG SER A 161 -20.225 23.121 -2.323 1.00 75.11 H new ATOM 2363 N SER A 162 -22.703 27.672 -1.433 1.00 10.35 N ATOM 2364 CA SER A 162 -23.728 28.649 -1.738 1.00 53.44 C ATOM 2365 C SER A 162 -23.103 29.890 -2.360 1.00 51.24 C ATOM 2366 O SER A 162 -21.884 30.099 -2.269 1.00 12.20 O ATOM 2367 CB SER A 162 -24.492 29.023 -0.451 1.00 63.31 C ATOM 2368 OG SER A 162 -25.520 29.974 -0.702 1.00 24.14 O ATOM 0 H SER A 162 -21.749 28.030 -1.487 1.00 10.35 H new ATOM 0 HA SER A 162 -24.428 28.218 -2.453 1.00 53.44 H new ATOM 0 HB2 SER A 162 -24.927 28.125 -0.013 1.00 63.31 H new ATOM 0 HB3 SER A 162 -23.793 29.428 0.281 1.00 63.31 H new ATOM 0 HG SER A 162 -25.982 30.185 0.136 1.00 24.14 H new ATOM 2374 N SER A 163 -23.934 30.699 -2.993 1.00 33.03 N ATOM 2375 CA SER A 163 -23.502 31.920 -3.633 1.00 21.54 C ATOM 2376 C SER A 163 -24.729 32.753 -3.993 1.00 65.22 C ATOM 2377 O SER A 163 -25.863 32.280 -3.866 1.00 33.15 O ATOM 2378 CB SER A 163 -22.681 31.596 -4.893 1.00 54.11 C ATOM 2379 OG SER A 163 -22.070 32.760 -5.430 1.00 75.30 O ATOM 0 H SER A 163 -24.935 30.522 -3.076 1.00 33.03 H new ATOM 0 HA SER A 163 -22.868 32.488 -2.952 1.00 21.54 H new ATOM 0 HB2 SER A 163 -21.914 30.861 -4.650 1.00 54.11 H new ATOM 0 HB3 SER A 163 -23.329 31.144 -5.644 1.00 54.11 H new ATOM 0 HG SER A 163 -21.555 32.520 -6.228 1.00 75.30 H new ATOM 2385 N GLN A 164 -24.503 33.976 -4.447 1.00 5.41 N ATOM 2386 CA GLN A 164 -25.578 34.882 -4.836 1.00 3.53 C ATOM 2387 C GLN A 164 -25.098 35.786 -5.956 1.00 35.52 C ATOM 2388 O GLN A 164 -24.199 36.610 -5.763 1.00 30.32 O ATOM 2389 CB GLN A 164 -26.030 35.747 -3.651 1.00 35.11 C ATOM 2390 CG GLN A 164 -26.664 34.980 -2.501 1.00 44.12 C ATOM 2391 CD GLN A 164 -27.094 35.890 -1.372 1.00 21.11 C ATOM 2392 OE1 GLN A 164 -26.497 36.944 -1.146 1.00 33.30 O ATOM 2393 NE2 GLN A 164 -28.120 35.497 -0.650 1.00 40.14 N ATOM 0 H GLN A 164 -23.569 34.371 -4.557 1.00 5.41 H new ATOM 0 HA GLN A 164 -26.424 34.282 -5.171 1.00 3.53 H new ATOM 0 HB2 GLN A 164 -25.168 36.295 -3.271 1.00 35.11 H new ATOM 0 HB3 GLN A 164 -26.744 36.487 -4.012 1.00 35.11 H new ATOM 0 HG2 GLN A 164 -27.529 34.427 -2.869 1.00 44.12 H new ATOM 0 HG3 GLN A 164 -25.954 34.245 -2.122 1.00 44.12 H new ATOM 0 HE21 GLN A 164 -28.590 34.618 -0.867 1.00 40.14 H new ATOM 0 HE22 GLN A 164 -28.447 36.071 0.127 1.00 40.14 H new ATOM 2402 N GLN A 165 -25.675 35.614 -7.126 1.00 70.41 N ATOM 2403 CA GLN A 165 -25.293 36.394 -8.286 1.00 21.21 C ATOM 2404 C GLN A 165 -25.918 37.783 -8.223 1.00 4.41 C ATOM 2405 O GLN A 165 -27.110 37.956 -8.491 1.00 60.33 O ATOM 2406 CB GLN A 165 -25.714 35.672 -9.568 1.00 2.33 C ATOM 2407 CG GLN A 165 -25.157 36.284 -10.845 1.00 64.14 C ATOM 2408 CD GLN A 165 -25.620 35.542 -12.083 1.00 65.32 C ATOM 2409 OE1 GLN A 165 -26.724 34.990 -12.113 1.00 61.44 O ATOM 2410 NE2 GLN A 165 -24.786 35.510 -13.104 1.00 4.34 N ATOM 0 H GLN A 165 -26.416 34.936 -7.301 1.00 70.41 H new ATOM 0 HA GLN A 165 -24.209 36.507 -8.291 1.00 21.21 H new ATOM 0 HB2 GLN A 165 -25.393 34.632 -9.507 1.00 2.33 H new ATOM 0 HB3 GLN A 165 -26.802 35.666 -9.627 1.00 2.33 H new ATOM 0 HG2 GLN A 165 -25.466 37.327 -10.911 1.00 64.14 H new ATOM 0 HG3 GLN A 165 -24.068 36.277 -10.805 1.00 64.14 H new ATOM 0 HE21 GLN A 165 -23.883 35.979 -13.039 1.00 4.34 H new ATOM 0 HE22 GLN A 165 -25.044 35.016 -13.958 1.00 4.34 H new ATOM 2419 N GLN A 166 -25.120 38.761 -7.846 1.00 32.30 N ATOM 2420 CA GLN A 166 -25.592 40.125 -7.754 1.00 12.31 C ATOM 2421 C GLN A 166 -25.000 40.961 -8.872 1.00 32.41 C ATOM 2422 O GLN A 166 -23.775 41.104 -8.973 1.00 33.20 O ATOM 2423 CB GLN A 166 -25.231 40.731 -6.400 1.00 60.35 C ATOM 2424 CG GLN A 166 -25.749 42.147 -6.211 1.00 3.15 C ATOM 2425 CD GLN A 166 -25.358 42.733 -4.878 1.00 11.02 C ATOM 2426 OE1 GLN A 166 -24.309 43.360 -4.746 1.00 31.21 O ATOM 2427 NE2 GLN A 166 -26.193 42.535 -3.884 1.00 30.42 N ATOM 0 H GLN A 166 -24.139 38.635 -7.598 1.00 32.30 H new ATOM 0 HA GLN A 166 -26.678 40.119 -7.852 1.00 12.31 H new ATOM 0 HB2 GLN A 166 -25.632 40.097 -5.609 1.00 60.35 H new ATOM 0 HB3 GLN A 166 -24.147 40.732 -6.289 1.00 60.35 H new ATOM 0 HG2 GLN A 166 -25.364 42.781 -7.010 1.00 3.15 H new ATOM 0 HG3 GLN A 166 -26.835 42.148 -6.300 1.00 3.15 H new ATOM 0 HE21 GLN A 166 -27.053 42.009 -4.038 1.00 30.42 H new ATOM 0 HE22 GLN A 166 -25.982 42.908 -2.958 1.00 30.42 H new ATOM 2436 N SER A 167 -25.863 41.513 -9.703 1.00 35.25 N ATOM 2437 CA SER A 167 -25.454 42.336 -10.830 1.00 75.23 C ATOM 2438 C SER A 167 -26.638 43.150 -11.349 1.00 42.43 C ATOM 2439 O SER A 167 -27.416 42.676 -12.184 1.00 73.41 O ATOM 2440 CB SER A 167 -24.899 41.466 -11.972 1.00 50.23 C ATOM 2441 OG SER A 167 -23.769 40.705 -11.561 1.00 23.34 O ATOM 0 H SER A 167 -26.873 41.404 -9.617 1.00 35.25 H new ATOM 0 HA SER A 167 -24.670 43.010 -10.484 1.00 75.23 H new ATOM 0 HB2 SER A 167 -25.679 40.793 -12.327 1.00 50.23 H new ATOM 0 HB3 SER A 167 -24.621 42.103 -12.811 1.00 50.23 H new ATOM 0 HG SER A 167 -23.429 41.057 -10.712 1.00 23.34 H new ATOM 2447 N SER A 168 -26.798 44.350 -10.827 1.00 54.33 N ATOM 2448 CA SER A 168 -27.861 45.229 -11.265 1.00 43.53 C ATOM 2449 C SER A 168 -27.463 45.956 -12.547 1.00 22.40 C ATOM 2450 O SER A 168 -26.925 47.066 -12.508 1.00 44.21 O ATOM 2451 CB SER A 168 -28.225 46.218 -10.153 1.00 2.10 C ATOM 2452 OG SER A 168 -27.057 46.794 -9.576 1.00 23.12 O ATOM 0 H SER A 168 -26.202 44.739 -10.096 1.00 54.33 H new ATOM 0 HA SER A 168 -28.744 44.629 -11.485 1.00 43.53 H new ATOM 0 HB2 SER A 168 -28.861 47.006 -10.557 1.00 2.10 H new ATOM 0 HB3 SER A 168 -28.801 45.707 -9.382 1.00 2.10 H new ATOM 0 HG SER A 168 -26.488 47.159 -10.285 1.00 23.12 H new ATOM 2458 N ARG A 169 -27.679 45.306 -13.675 1.00 42.35 N ATOM 2459 CA ARG A 169 -27.342 45.888 -14.955 1.00 22.31 C ATOM 2460 C ARG A 169 -28.527 46.646 -15.521 1.00 20.44 C ATOM 2461 O ARG A 169 -29.456 45.994 -16.038 1.00 0.00 O ATOM 2462 CB ARG A 169 -26.876 44.818 -15.941 1.00 43.12 C ATOM 2463 CG ARG A 169 -26.241 45.397 -17.194 1.00 30.13 C ATOM 2464 CD ARG A 169 -25.759 44.312 -18.135 1.00 12.42 C ATOM 2465 NE ARG A 169 -24.940 44.862 -19.218 1.00 75.43 N ATOM 2466 CZ ARG A 169 -24.601 44.197 -20.326 1.00 22.53 C ATOM 2467 NH1 ARG A 169 -25.051 42.964 -20.537 1.00 54.51 N ATOM 2468 NH2 ARG A 169 -23.819 44.775 -21.226 1.00 63.25 N ATOM 2469 OXT ARG A 169 -28.530 47.884 -15.453 1.00 0.00 O ATOM 0 H ARG A 169 -28.087 44.373 -13.728 1.00 42.35 H new ATOM 0 HA ARG A 169 -26.520 46.587 -14.800 1.00 22.31 H new ATOM 0 HB2 ARG A 169 -26.158 44.164 -15.446 1.00 43.12 H new ATOM 0 HB3 ARG A 169 -27.727 44.199 -16.225 1.00 43.12 H new ATOM 0 HG2 ARG A 169 -26.964 46.029 -17.709 1.00 30.13 H new ATOM 0 HG3 ARG A 169 -25.402 46.035 -16.915 1.00 30.13 H new ATOM 0 HD2 ARG A 169 -25.179 43.577 -17.577 1.00 12.42 H new ATOM 0 HD3 ARG A 169 -26.617 43.788 -18.557 1.00 12.42 H new ATOM 0 HE ARG A 169 -24.605 45.820 -19.119 1.00 75.43 H new ATOM 0 HH11 ARG A 169 -25.660 42.519 -19.850 1.00 54.51 H new ATOM 0 HH12 ARG A 169 -24.787 42.463 -21.386 1.00 54.51 H new ATOM 0 HH21 ARG A 169 -23.478 45.724 -21.071 1.00 63.25 H new ATOM 0 HH22 ARG A 169 -23.558 44.271 -22.073 1.00 63.25 H new TER 2483 ARG A 169