USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 653 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 74 ASN : amide:sc= 0.404 K(o=1.2,f=-2.7!) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.82 K(o=1.2,f=-0.31) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.0494 X(o=0.38,f=0.31) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.506 K(o=0.38,f=-0.68) USER MOD Set 2.3: A 42 SER OG : rot 169:sc= 0.826 USER MOD Set 2.4: A 48 TYR OH : rot -84:sc= 0.00811 USER MOD Set 3.1: A 30 TYR OH : rot 30:sc= 0.913 USER MOD Set 3.2: A 33 GLN : amide:sc= 1.19 K(o=2.1,f=1) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0677 (180deg=-0.442) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 5 THR OG1 : rot -148:sc= 0.681 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.1) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 27 SER OG : rot 180:sc= -0.002 USER MOD Single : A 32 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.61) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 150:sc=-0.00677 USER MOD Single : A 53 TYR OH : rot -145:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0544) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.13) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 78 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 79 ASN : amide:sc= -0.191 K(o=-0.19,f=-3.5!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.385 -25.153 -14.376 1.00 43.00 N ATOM 2 CA MET A 1 2.510 -24.012 -15.267 1.00 31.00 C ATOM 3 C MET A 1 3.666 -23.143 -14.799 1.00 34.00 C ATOM 4 O MET A 1 3.632 -22.578 -13.698 1.00 22.00 O ATOM 5 CB MET A 1 1.179 -23.212 -15.315 1.00 61.00 C ATOM 6 CG MET A 1 1.101 -22.106 -16.381 1.00 32.00 C ATOM 7 SD MET A 1 2.122 -20.650 -16.047 1.00 21.00 S ATOM 8 CE MET A 1 1.320 -19.998 -14.575 1.00 54.00 C ATOM 0 H1 MET A 1 1.596 -25.753 -14.689 1.00 43.00 H new ATOM 0 H2 MET A 1 3.267 -25.704 -14.392 1.00 43.00 H new ATOM 0 H3 MET A 1 2.203 -24.819 -13.408 1.00 43.00 H new ATOM 0 HA MET A 1 2.717 -24.355 -16.281 1.00 31.00 H new ATOM 0 HB2 MET A 1 0.362 -23.913 -15.485 1.00 61.00 H new ATOM 0 HB3 MET A 1 1.013 -22.760 -14.337 1.00 61.00 H new ATOM 0 HG2 MET A 1 1.398 -22.527 -17.342 1.00 32.00 H new ATOM 0 HG3 MET A 1 0.063 -21.789 -16.479 1.00 32.00 H new ATOM 0 HE1 MET A 1 1.613 -18.958 -14.431 1.00 54.00 H new ATOM 0 HE2 MET A 1 0.238 -20.057 -14.694 1.00 54.00 H new ATOM 0 HE3 MET A 1 1.622 -20.583 -13.707 1.00 54.00 H new ATOM 18 N GLN A 2 4.709 -23.096 -15.598 1.00 61.00 N ATOM 19 CA GLN A 2 5.869 -22.264 -15.342 1.00 72.00 C ATOM 20 C GLN A 2 6.171 -21.528 -16.621 1.00 53.00 C ATOM 21 O GLN A 2 7.038 -21.915 -17.402 1.00 24.00 O ATOM 22 CB GLN A 2 7.079 -23.097 -14.900 1.00 2.00 C ATOM 23 CG GLN A 2 6.855 -23.898 -13.630 1.00 74.00 C ATOM 24 CD GLN A 2 8.069 -24.702 -13.237 1.00 63.00 C ATOM 25 OE1 GLN A 2 8.929 -24.227 -12.496 1.00 41.00 O ATOM 26 NE2 GLN A 2 8.162 -25.909 -13.729 1.00 4.00 N ATOM 0 H GLN A 2 4.778 -23.642 -16.457 1.00 61.00 H new ATOM 0 HA GLN A 2 5.660 -21.570 -14.528 1.00 72.00 H new ATOM 0 HB2 GLN A 2 7.348 -23.781 -15.705 1.00 2.00 H new ATOM 0 HB3 GLN A 2 7.929 -22.431 -14.751 1.00 2.00 H new ATOM 0 HG2 GLN A 2 6.593 -23.220 -12.818 1.00 74.00 H new ATOM 0 HG3 GLN A 2 6.008 -24.569 -13.771 1.00 74.00 H new ATOM 0 HE21 GLN A 2 7.429 -26.269 -14.340 1.00 4.00 H new ATOM 0 HE22 GLN A 2 8.968 -26.492 -13.502 1.00 4.00 H new ATOM 35 N THR A 3 5.345 -20.575 -16.901 1.00 65.00 N ATOM 36 CA THR A 3 5.375 -19.802 -18.122 1.00 4.00 C ATOM 37 C THR A 3 4.744 -18.471 -17.784 1.00 12.00 C ATOM 38 O THR A 3 4.220 -18.321 -16.666 1.00 41.00 O ATOM 39 CB THR A 3 4.511 -20.554 -19.189 1.00 61.00 C ATOM 40 OG1 THR A 3 4.758 -21.978 -19.093 1.00 44.00 O ATOM 41 CG2 THR A 3 4.922 -20.140 -20.564 1.00 34.00 C ATOM 0 H THR A 3 4.597 -20.294 -16.267 1.00 65.00 H new ATOM 0 HA THR A 3 6.382 -19.665 -18.515 1.00 4.00 H new ATOM 0 HB THR A 3 3.463 -20.317 -19.008 1.00 61.00 H new ATOM 0 HG1 THR A 3 4.216 -22.450 -19.760 1.00 44.00 H new ATOM 0 HG21 THR A 3 4.315 -20.668 -21.300 1.00 34.00 H new ATOM 0 HG22 THR A 3 4.778 -19.066 -20.679 1.00 34.00 H new ATOM 0 HG23 THR A 3 5.973 -20.383 -20.718 1.00 34.00 H new ATOM 49 N ASP A 4 4.826 -17.505 -18.662 1.00 30.00 N ATOM 50 CA ASP A 4 4.137 -16.253 -18.407 1.00 43.00 C ATOM 51 C ASP A 4 2.687 -16.439 -18.735 1.00 75.00 C ATOM 52 O ASP A 4 2.346 -17.291 -19.560 1.00 20.00 O ATOM 53 CB ASP A 4 4.721 -15.089 -19.208 1.00 64.00 C ATOM 54 CG ASP A 4 5.746 -14.270 -18.455 1.00 2.00 C ATOM 55 OD1 ASP A 4 6.718 -14.837 -17.909 1.00 2.00 O ATOM 56 OD2 ASP A 4 5.594 -13.038 -18.387 1.00 10.00 O ATOM 0 H ASP A 4 5.346 -17.550 -19.538 1.00 30.00 H new ATOM 0 HA ASP A 4 4.264 -15.995 -17.356 1.00 43.00 H new ATOM 0 HB2 ASP A 4 5.181 -15.481 -20.115 1.00 64.00 H new ATOM 0 HB3 ASP A 4 3.908 -14.434 -19.521 1.00 64.00 H new ATOM 61 N THR A 5 1.841 -15.696 -18.113 1.00 43.00 N ATOM 62 CA THR A 5 0.438 -15.831 -18.345 1.00 14.00 C ATOM 63 C THR A 5 -0.197 -14.476 -18.323 1.00 41.00 C ATOM 64 O THR A 5 0.336 -13.563 -17.760 1.00 73.00 O ATOM 65 CB THR A 5 -0.248 -16.798 -17.324 1.00 64.00 C ATOM 66 OG1 THR A 5 -1.675 -16.885 -17.578 1.00 12.00 O ATOM 67 CG2 THR A 5 -0.017 -16.343 -15.881 1.00 24.00 C ATOM 0 H THR A 5 2.095 -14.980 -17.432 1.00 43.00 H new ATOM 0 HA THR A 5 0.297 -16.283 -19.327 1.00 14.00 H new ATOM 0 HB THR A 5 0.204 -17.781 -17.457 1.00 64.00 H new ATOM 0 HG1 THR A 5 -2.149 -17.030 -16.733 1.00 12.00 H new ATOM 0 HG21 THR A 5 -0.507 -17.037 -15.198 1.00 24.00 H new ATOM 0 HG22 THR A 5 1.053 -16.323 -15.673 1.00 24.00 H new ATOM 0 HG23 THR A 5 -0.432 -15.345 -15.743 1.00 24.00 H new ATOM 75 N LEU A 6 -1.327 -14.346 -18.930 1.00 34.00 N ATOM 76 CA LEU A 6 -1.953 -13.063 -19.004 1.00 54.00 C ATOM 77 C LEU A 6 -2.796 -12.779 -17.760 1.00 71.00 C ATOM 78 O LEU A 6 -2.467 -13.231 -16.665 1.00 24.00 O ATOM 79 CB LEU A 6 -2.732 -12.933 -20.315 1.00 15.00 C ATOM 80 CG LEU A 6 -1.886 -13.102 -21.583 1.00 12.00 C ATOM 81 CD1 LEU A 6 -2.730 -12.901 -22.808 1.00 55.00 C ATOM 82 CD2 LEU A 6 -0.698 -12.142 -21.597 1.00 71.00 C ATOM 0 H LEU A 6 -1.837 -15.105 -19.381 1.00 34.00 H new ATOM 0 HA LEU A 6 -1.185 -12.289 -19.015 1.00 54.00 H new ATOM 0 HB2 LEU A 6 -3.528 -13.677 -20.324 1.00 15.00 H new ATOM 0 HB3 LEU A 6 -3.211 -11.954 -20.342 1.00 15.00 H new ATOM 0 HG LEU A 6 -1.494 -14.119 -21.585 1.00 12.00 H new ATOM 0 HD11 LEU A 6 -2.114 -13.024 -23.699 1.00 55.00 H new ATOM 0 HD12 LEU A 6 -3.536 -13.635 -22.819 1.00 55.00 H new ATOM 0 HD13 LEU A 6 -3.154 -11.897 -22.797 1.00 55.00 H new ATOM 0 HD21 LEU A 6 -0.121 -12.290 -22.510 1.00 71.00 H new ATOM 0 HD22 LEU A 6 -1.060 -11.115 -21.559 1.00 71.00 H new ATOM 0 HD23 LEU A 6 -0.064 -12.335 -20.732 1.00 71.00 H new ATOM 94 N GLU A 7 -3.887 -12.057 -17.946 1.00 32.00 N ATOM 95 CA GLU A 7 -4.750 -11.584 -16.882 1.00 22.00 C ATOM 96 C GLU A 7 -5.368 -12.777 -16.180 1.00 42.00 C ATOM 97 O GLU A 7 -5.756 -12.713 -15.017 1.00 13.00 O ATOM 98 CB GLU A 7 -5.832 -10.714 -17.528 1.00 11.00 C ATOM 99 CG GLU A 7 -6.793 -10.065 -16.569 1.00 42.00 C ATOM 100 CD GLU A 7 -7.849 -9.229 -17.267 1.00 22.00 C ATOM 101 OE1 GLU A 7 -7.758 -9.017 -18.474 1.00 31.00 O ATOM 102 OE2 GLU A 7 -8.781 -8.746 -16.593 1.00 5.00 O ATOM 0 H GLU A 7 -4.206 -11.775 -18.873 1.00 32.00 H new ATOM 0 HA GLU A 7 -4.197 -11.003 -16.144 1.00 22.00 H new ATOM 0 HB2 GLU A 7 -5.346 -9.934 -18.113 1.00 11.00 H new ATOM 0 HB3 GLU A 7 -6.400 -11.329 -18.226 1.00 11.00 H new ATOM 0 HG2 GLU A 7 -7.282 -10.837 -15.975 1.00 42.00 H new ATOM 0 HG3 GLU A 7 -6.236 -9.434 -15.876 1.00 42.00 H new ATOM 109 N TYR A 8 -5.409 -13.871 -16.936 1.00 34.00 N ATOM 110 CA TYR A 8 -5.930 -15.162 -16.605 1.00 1.00 C ATOM 111 C TYR A 8 -7.384 -15.225 -16.176 1.00 2.00 C ATOM 112 O TYR A 8 -7.942 -16.308 -16.075 1.00 14.00 O ATOM 113 CB TYR A 8 -4.996 -16.055 -15.772 1.00 51.00 C ATOM 114 CG TYR A 8 -4.707 -15.608 -14.349 1.00 64.00 C ATOM 115 CD1 TYR A 8 -5.550 -15.973 -13.309 1.00 32.00 C ATOM 116 CD2 TYR A 8 -3.599 -14.820 -14.047 1.00 23.00 C ATOM 117 CE1 TYR A 8 -5.306 -15.570 -12.016 1.00 12.00 C ATOM 118 CE2 TYR A 8 -3.349 -14.409 -12.751 1.00 3.00 C ATOM 119 CZ TYR A 8 -4.209 -14.785 -11.740 1.00 55.00 C ATOM 120 OH TYR A 8 -3.971 -14.371 -10.442 1.00 53.00 O ATOM 0 H TYR A 8 -5.038 -13.857 -17.886 1.00 34.00 H new ATOM 0 HA TYR A 8 -5.952 -15.627 -17.591 1.00 1.00 H new ATOM 0 HB2 TYR A 8 -5.429 -17.055 -15.732 1.00 51.00 H new ATOM 0 HB3 TYR A 8 -4.047 -16.139 -16.301 1.00 51.00 H new ATOM 0 HD1 TYR A 8 -6.415 -16.585 -13.518 1.00 32.00 H new ATOM 0 HD2 TYR A 8 -2.925 -14.525 -14.838 1.00 23.00 H new ATOM 0 HE1 TYR A 8 -5.973 -15.868 -11.220 1.00 12.00 H new ATOM 0 HE2 TYR A 8 -2.486 -13.798 -12.531 1.00 3.00 H new ATOM 0 HH TYR A 8 -3.157 -13.825 -10.417 1.00 53.00 H new ATOM 130 N GLN A 9 -7.993 -14.089 -16.017 1.00 5.00 N ATOM 131 CA GLN A 9 -9.347 -13.940 -15.608 1.00 34.00 C ATOM 132 C GLN A 9 -9.833 -12.716 -16.238 1.00 32.00 C ATOM 133 O GLN A 9 -9.732 -11.626 -15.703 1.00 63.00 O ATOM 134 CB GLN A 9 -9.519 -13.896 -14.097 1.00 44.00 C ATOM 135 CG GLN A 9 -9.226 -15.215 -13.455 1.00 3.00 C ATOM 136 CD GLN A 9 -9.402 -15.199 -11.973 1.00 54.00 C ATOM 137 OE1 GLN A 9 -8.474 -14.902 -11.230 1.00 42.00 O ATOM 138 NE2 GLN A 9 -10.571 -15.532 -11.530 1.00 40.00 N ATOM 0 H GLN A 9 -7.528 -13.196 -16.179 1.00 5.00 H new ATOM 0 HA GLN A 9 -9.924 -14.810 -15.921 1.00 34.00 H new ATOM 0 HB2 GLN A 9 -8.858 -13.136 -13.680 1.00 44.00 H new ATOM 0 HB3 GLN A 9 -10.539 -13.596 -13.858 1.00 44.00 H new ATOM 0 HG2 GLN A 9 -9.880 -15.974 -13.884 1.00 3.00 H new ATOM 0 HG3 GLN A 9 -8.202 -15.507 -13.690 1.00 3.00 H new ATOM 0 HE21 GLN A 9 -11.315 -15.772 -12.185 1.00 40.00 H new ATOM 0 HE22 GLN A 9 -10.748 -15.555 -10.526 1.00 40.00 H new ATOM 147 N CYS A 10 -10.264 -12.892 -17.405 1.00 52.00 N ATOM 148 CA CYS A 10 -10.670 -11.814 -18.231 1.00 45.00 C ATOM 149 C CYS A 10 -12.158 -11.603 -18.129 1.00 4.00 C ATOM 150 O CYS A 10 -12.850 -12.255 -17.318 1.00 72.00 O ATOM 151 CB CYS A 10 -10.284 -12.097 -19.671 1.00 14.00 C ATOM 152 SG CYS A 10 -8.529 -11.992 -20.082 1.00 40.00 S ATOM 0 H CYS A 10 -10.354 -13.809 -17.842 1.00 52.00 H new ATOM 0 HA CYS A 10 -10.167 -10.907 -17.895 1.00 45.00 H new ATOM 0 HB2 CYS A 10 -10.633 -13.098 -19.925 1.00 14.00 H new ATOM 0 HB3 CYS A 10 -10.825 -11.399 -20.311 1.00 14.00 H new ATOM 157 N ASP A 11 -12.641 -10.709 -18.947 1.00 70.00 N ATOM 158 CA ASP A 11 -14.034 -10.342 -19.006 1.00 51.00 C ATOM 159 C ASP A 11 -14.942 -11.496 -19.335 1.00 53.00 C ATOM 160 O ASP A 11 -15.910 -11.744 -18.633 1.00 32.00 O ATOM 161 CB ASP A 11 -14.208 -9.229 -20.011 1.00 30.00 C ATOM 162 CG ASP A 11 -15.639 -8.893 -20.321 1.00 14.00 C ATOM 163 OD1 ASP A 11 -16.286 -8.201 -19.511 1.00 24.00 O ATOM 164 OD2 ASP A 11 -16.134 -9.303 -21.405 1.00 42.00 O ATOM 0 H ASP A 11 -12.060 -10.199 -19.612 1.00 70.00 H new ATOM 0 HA ASP A 11 -14.326 -10.007 -18.011 1.00 51.00 H new ATOM 0 HB2 ASP A 11 -13.711 -8.335 -19.635 1.00 30.00 H new ATOM 0 HB3 ASP A 11 -13.704 -9.509 -20.936 1.00 30.00 H new ATOM 169 N GLU A 12 -14.642 -12.200 -20.371 1.00 73.00 N ATOM 170 CA GLU A 12 -15.527 -13.242 -20.786 1.00 24.00 C ATOM 171 C GLU A 12 -15.006 -14.632 -20.433 1.00 65.00 C ATOM 172 O GLU A 12 -15.778 -15.538 -20.122 1.00 2.00 O ATOM 173 CB GLU A 12 -15.763 -13.131 -22.272 1.00 13.00 C ATOM 174 CG GLU A 12 -16.822 -14.055 -22.765 1.00 63.00 C ATOM 175 CD GLU A 12 -18.167 -13.723 -22.176 1.00 34.00 C ATOM 176 OE1 GLU A 12 -18.812 -12.794 -22.661 1.00 33.00 O ATOM 177 OE2 GLU A 12 -18.607 -14.392 -21.212 1.00 72.00 O ATOM 0 H GLU A 12 -13.805 -12.080 -20.942 1.00 73.00 H new ATOM 0 HA GLU A 12 -16.465 -13.116 -20.246 1.00 24.00 H new ATOM 0 HB2 GLU A 12 -16.042 -12.106 -22.514 1.00 13.00 H new ATOM 0 HB3 GLU A 12 -14.832 -13.341 -22.799 1.00 13.00 H new ATOM 0 HG2 GLU A 12 -16.877 -13.999 -23.852 1.00 63.00 H new ATOM 0 HG3 GLU A 12 -16.557 -15.081 -22.511 1.00 63.00 H new ATOM 184 N LYS A 13 -13.721 -14.785 -20.425 1.00 2.00 N ATOM 185 CA LYS A 13 -13.131 -16.101 -20.287 1.00 61.00 C ATOM 186 C LYS A 13 -12.011 -15.986 -19.314 1.00 1.00 C ATOM 187 O LYS A 13 -11.421 -14.905 -19.193 1.00 52.00 O ATOM 188 CB LYS A 13 -12.490 -16.573 -21.617 1.00 2.00 C ATOM 189 CG LYS A 13 -13.313 -16.393 -22.893 1.00 54.00 C ATOM 190 CD LYS A 13 -14.566 -17.232 -22.873 1.00 52.00 C ATOM 191 CE LYS A 13 -15.411 -17.063 -24.108 1.00 12.00 C ATOM 192 NZ LYS A 13 -16.666 -17.824 -23.989 1.00 1.00 N ATOM 0 H LYS A 13 -13.050 -14.022 -20.512 1.00 2.00 H new ATOM 0 HA LYS A 13 -13.909 -16.800 -19.980 1.00 61.00 H new ATOM 0 HB2 LYS A 13 -11.548 -16.041 -21.745 1.00 2.00 H new ATOM 0 HB3 LYS A 13 -12.247 -17.631 -21.518 1.00 2.00 H new ATOM 0 HG2 LYS A 13 -13.580 -15.343 -23.008 1.00 54.00 H new ATOM 0 HG3 LYS A 13 -12.707 -16.664 -23.758 1.00 54.00 H new ATOM 0 HD2 LYS A 13 -14.291 -18.282 -22.769 1.00 52.00 H new ATOM 0 HD3 LYS A 13 -15.158 -16.969 -21.996 1.00 52.00 H new ATOM 0 HE2 LYS A 13 -15.634 -16.007 -24.261 1.00 12.00 H new ATOM 0 HE3 LYS A 13 -14.856 -17.402 -24.983 1.00 12.00 H new ATOM 0 HZ1 LYS A 13 -17.387 -17.403 -24.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -16.501 -18.812 -24.270 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -16.997 -17.795 -23.004 1.00 1.00 H new ATOM 206 N PRO A 14 -11.698 -17.026 -18.575 1.00 11.00 N ATOM 207 CA PRO A 14 -10.509 -17.028 -17.800 1.00 22.00 C ATOM 208 C PRO A 14 -9.348 -17.429 -18.728 1.00 63.00 C ATOM 209 O PRO A 14 -9.263 -18.573 -19.173 1.00 42.00 O ATOM 210 CB PRO A 14 -10.760 -18.065 -16.693 1.00 34.00 C ATOM 211 CG PRO A 14 -12.127 -18.638 -16.973 1.00 53.00 C ATOM 212 CD PRO A 14 -12.472 -18.258 -18.389 1.00 41.00 C ATOM 0 HA PRO A 14 -10.254 -16.065 -17.358 1.00 22.00 H new ATOM 0 HB2 PRO A 14 -9.998 -18.845 -16.707 1.00 34.00 H new ATOM 0 HB3 PRO A 14 -10.724 -17.602 -15.707 1.00 34.00 H new ATOM 0 HG2 PRO A 14 -12.125 -19.721 -16.852 1.00 53.00 H new ATOM 0 HG3 PRO A 14 -12.864 -18.241 -16.275 1.00 53.00 H new ATOM 0 HD2 PRO A 14 -12.183 -19.032 -19.100 1.00 41.00 H new ATOM 0 HD3 PRO A 14 -13.541 -18.090 -18.517 1.00 41.00 H new ATOM 220 N LEU A 15 -8.448 -16.510 -18.982 1.00 42.00 N ATOM 221 CA LEU A 15 -7.501 -16.664 -20.039 1.00 44.00 C ATOM 222 C LEU A 15 -6.157 -16.948 -19.473 1.00 41.00 C ATOM 223 O LEU A 15 -5.328 -16.039 -19.310 1.00 14.00 O ATOM 224 CB LEU A 15 -7.436 -15.382 -20.858 1.00 33.00 C ATOM 225 CG LEU A 15 -6.566 -15.423 -22.112 1.00 24.00 C ATOM 226 CD1 LEU A 15 -7.116 -16.412 -23.112 1.00 23.00 C ATOM 227 CD2 LEU A 15 -6.436 -14.045 -22.732 1.00 73.00 C ATOM 0 H LEU A 15 -8.358 -15.639 -18.458 1.00 42.00 H new ATOM 0 HA LEU A 15 -7.811 -17.492 -20.676 1.00 44.00 H new ATOM 0 HB2 LEU A 15 -8.450 -15.113 -21.154 1.00 33.00 H new ATOM 0 HB3 LEU A 15 -7.070 -14.583 -20.214 1.00 33.00 H new ATOM 0 HG LEU A 15 -5.569 -15.753 -21.819 1.00 24.00 H new ATOM 0 HD11 LEU A 15 -6.481 -16.425 -23.998 1.00 23.00 H new ATOM 0 HD12 LEU A 15 -7.138 -17.406 -22.666 1.00 23.00 H new ATOM 0 HD13 LEU A 15 -8.127 -16.119 -23.395 1.00 23.00 H new ATOM 0 HD21 LEU A 15 -5.811 -14.104 -23.623 1.00 73.00 H new ATOM 0 HD22 LEU A 15 -7.424 -13.674 -23.006 1.00 73.00 H new ATOM 0 HD23 LEU A 15 -5.979 -13.364 -22.013 1.00 73.00 H new ATOM 239 N THR A 16 -5.946 -18.147 -19.083 1.00 52.00 N ATOM 240 CA THR A 16 -4.681 -18.470 -18.563 1.00 20.00 C ATOM 241 C THR A 16 -3.821 -18.934 -19.729 1.00 3.00 C ATOM 242 O THR A 16 -4.215 -19.836 -20.488 1.00 2.00 O ATOM 243 CB THR A 16 -4.780 -19.525 -17.475 1.00 62.00 C ATOM 244 OG1 THR A 16 -6.028 -19.322 -16.764 1.00 51.00 O ATOM 245 CG2 THR A 16 -3.642 -19.321 -16.498 1.00 42.00 C ATOM 0 H THR A 16 -6.623 -18.909 -19.114 1.00 52.00 H new ATOM 0 HA THR A 16 -4.229 -17.599 -18.088 1.00 20.00 H new ATOM 0 HB THR A 16 -4.735 -20.525 -17.907 1.00 62.00 H new ATOM 0 HG1 THR A 16 -6.114 -19.994 -16.056 1.00 51.00 H new ATOM 0 HG21 THR A 16 -3.700 -20.072 -15.710 1.00 42.00 H new ATOM 0 HG22 THR A 16 -2.691 -19.417 -17.022 1.00 42.00 H new ATOM 0 HG23 THR A 16 -3.715 -18.327 -16.057 1.00 42.00 H new ATOM 253 N VAL A 17 -2.686 -18.319 -19.879 1.00 14.00 N ATOM 254 CA VAL A 17 -1.891 -18.483 -21.063 1.00 14.00 C ATOM 255 C VAL A 17 -0.543 -19.071 -20.729 1.00 24.00 C ATOM 256 O VAL A 17 -0.072 -18.948 -19.613 1.00 55.00 O ATOM 257 CB VAL A 17 -1.684 -17.092 -21.755 1.00 45.00 C ATOM 258 CG1 VAL A 17 -0.917 -17.196 -23.066 1.00 3.00 C ATOM 259 CG2 VAL A 17 -3.011 -16.391 -21.971 1.00 21.00 C ATOM 0 H VAL A 17 -2.284 -17.689 -19.185 1.00 14.00 H new ATOM 0 HA VAL A 17 -2.415 -19.163 -21.735 1.00 14.00 H new ATOM 0 HB VAL A 17 -1.075 -16.495 -21.075 1.00 45.00 H new ATOM 0 HG11 VAL A 17 -0.803 -16.203 -23.501 1.00 3.00 H new ATOM 0 HG12 VAL A 17 0.067 -17.625 -22.879 1.00 3.00 H new ATOM 0 HG13 VAL A 17 -1.465 -17.835 -23.759 1.00 3.00 H new ATOM 0 HG21 VAL A 17 -2.840 -15.428 -22.453 1.00 21.00 H new ATOM 0 HG22 VAL A 17 -3.648 -17.006 -22.606 1.00 21.00 H new ATOM 0 HG23 VAL A 17 -3.500 -16.234 -21.010 1.00 21.00 H new ATOM 269 N LYS A 18 0.027 -19.762 -21.679 1.00 14.00 N ATOM 270 CA LYS A 18 1.365 -20.182 -21.599 1.00 51.00 C ATOM 271 C LYS A 18 2.084 -19.378 -22.603 1.00 2.00 C ATOM 272 O LYS A 18 2.097 -19.704 -23.782 1.00 23.00 O ATOM 273 CB LYS A 18 1.579 -21.698 -21.819 1.00 60.00 C ATOM 274 CG LYS A 18 1.079 -22.590 -20.682 1.00 21.00 C ATOM 275 CD LYS A 18 -0.428 -22.570 -20.559 1.00 1.00 C ATOM 276 CE LYS A 18 -0.891 -23.332 -19.341 1.00 14.00 C ATOM 277 NZ LYS A 18 -2.361 -23.449 -19.286 1.00 32.00 N ATOM 0 H LYS A 18 -0.448 -20.044 -22.536 1.00 14.00 H new ATOM 0 HA LYS A 18 1.740 -20.026 -20.587 1.00 51.00 H new ATOM 0 HB2 LYS A 18 1.075 -21.991 -22.740 1.00 60.00 H new ATOM 0 HB3 LYS A 18 2.643 -21.883 -21.965 1.00 60.00 H new ATOM 0 HG2 LYS A 18 1.414 -23.613 -20.851 1.00 21.00 H new ATOM 0 HG3 LYS A 18 1.523 -22.261 -19.742 1.00 21.00 H new ATOM 0 HD2 LYS A 18 -0.776 -21.539 -20.499 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.873 -23.005 -21.454 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.448 -24.328 -19.347 1.00 14.00 H new ATOM 0 HE3 LYS A 18 -0.534 -22.830 -18.442 1.00 14.00 H new ATOM 0 HZ1 LYS A 18 -2.635 -23.979 -18.434 1.00 32.00 H new ATOM 0 HZ2 LYS A 18 -2.784 -22.499 -19.254 1.00 32.00 H new ATOM 0 HZ3 LYS A 18 -2.701 -23.951 -20.131 1.00 32.00 H new ATOM 291 N LEU A 19 2.532 -18.249 -22.156 1.00 41.00 N ATOM 292 CA LEU A 19 3.225 -17.323 -22.925 1.00 43.00 C ATOM 293 C LEU A 19 4.655 -17.721 -22.894 1.00 53.00 C ATOM 294 O LEU A 19 5.407 -17.339 -21.993 1.00 21.00 O ATOM 295 CB LEU A 19 3.039 -15.981 -22.283 1.00 43.00 C ATOM 296 CG LEU A 19 3.739 -14.811 -22.923 1.00 23.00 C ATOM 297 CD1 LEU A 19 3.386 -14.676 -24.399 1.00 73.00 C ATOM 298 CD2 LEU A 19 3.448 -13.522 -22.181 1.00 74.00 C ATOM 0 H LEU A 19 2.406 -17.952 -21.188 1.00 41.00 H new ATOM 0 HA LEU A 19 2.875 -17.282 -23.957 1.00 43.00 H new ATOM 0 HB2 LEU A 19 1.971 -15.763 -22.257 1.00 43.00 H new ATOM 0 HB3 LEU A 19 3.375 -16.051 -21.248 1.00 43.00 H new ATOM 0 HG LEU A 19 4.809 -15.007 -22.858 1.00 23.00 H new ATOM 0 HD11 LEU A 19 3.912 -13.820 -24.822 1.00 73.00 H new ATOM 0 HD12 LEU A 19 3.682 -15.582 -24.928 1.00 73.00 H new ATOM 0 HD13 LEU A 19 2.311 -14.529 -24.504 1.00 73.00 H new ATOM 0 HD21 LEU A 19 3.968 -12.697 -22.668 1.00 74.00 H new ATOM 0 HD22 LEU A 19 2.375 -13.331 -22.190 1.00 74.00 H new ATOM 0 HD23 LEU A 19 3.792 -13.610 -21.150 1.00 74.00 H new ATOM 310 N ASN A 20 5.000 -18.584 -23.784 1.00 3.00 N ATOM 311 CA ASN A 20 6.334 -19.112 -23.798 1.00 23.00 C ATOM 312 C ASN A 20 7.292 -18.095 -24.367 1.00 70.00 C ATOM 313 O ASN A 20 7.315 -17.863 -25.573 1.00 61.00 O ATOM 314 CB ASN A 20 6.437 -20.448 -24.556 1.00 5.00 C ATOM 315 CG ASN A 20 5.649 -21.589 -23.926 1.00 13.00 C ATOM 316 OD1 ASN A 20 4.488 -21.840 -24.276 1.00 71.00 O ATOM 317 ND2 ASN A 20 6.260 -22.287 -23.012 1.00 70.00 N ATOM 0 H ASN A 20 4.385 -18.944 -24.514 1.00 3.00 H new ATOM 0 HA ASN A 20 6.608 -19.322 -22.764 1.00 23.00 H new ATOM 0 HB2 ASN A 20 6.086 -20.301 -25.577 1.00 5.00 H new ATOM 0 HB3 ASN A 20 7.486 -20.737 -24.618 1.00 5.00 H new ATOM 0 HD21 ASN A 20 5.782 -23.067 -22.561 1.00 70.00 H new ATOM 0 HD22 ASN A 20 7.217 -22.054 -22.747 1.00 70.00 H new ATOM 324 N ASN A 21 8.071 -17.505 -23.487 1.00 42.00 N ATOM 325 CA ASN A 21 9.039 -16.440 -23.803 1.00 12.00 C ATOM 326 C ASN A 21 9.986 -16.760 -24.999 1.00 22.00 C ATOM 327 O ASN A 21 10.025 -15.988 -25.956 1.00 33.00 O ATOM 328 CB ASN A 21 9.856 -16.068 -22.549 1.00 53.00 C ATOM 329 CG ASN A 21 10.891 -14.971 -22.783 1.00 4.00 C ATOM 330 OD1 ASN A 21 10.705 -14.068 -23.609 1.00 72.00 O ATOM 331 ND2 ASN A 21 11.989 -15.039 -22.064 1.00 35.00 N ATOM 0 H ASN A 21 8.059 -17.750 -22.497 1.00 42.00 H new ATOM 0 HA ASN A 21 8.442 -15.587 -24.126 1.00 12.00 H new ATOM 0 HB2 ASN A 21 9.171 -15.745 -21.765 1.00 53.00 H new ATOM 0 HB3 ASN A 21 10.364 -16.960 -22.182 1.00 53.00 H new ATOM 0 HD21 ASN A 21 12.718 -14.335 -22.178 1.00 35.00 H new ATOM 0 HD22 ASN A 21 12.112 -15.796 -21.391 1.00 35.00 H new ATOM 338 N PRO A 22 10.721 -17.918 -25.016 1.00 5.00 N ATOM 339 CA PRO A 22 11.709 -18.200 -26.069 1.00 30.00 C ATOM 340 C PRO A 22 11.060 -18.649 -27.367 1.00 64.00 C ATOM 341 O PRO A 22 11.726 -18.817 -28.380 1.00 51.00 O ATOM 342 CB PRO A 22 12.554 -19.350 -25.487 1.00 34.00 C ATOM 343 CG PRO A 22 12.059 -19.552 -24.088 1.00 11.00 C ATOM 344 CD PRO A 22 10.661 -19.041 -24.064 1.00 31.00 C ATOM 0 HA PRO A 22 12.286 -17.310 -26.319 1.00 30.00 H new ATOM 0 HB2 PRO A 22 12.438 -20.259 -26.078 1.00 34.00 H new ATOM 0 HB3 PRO A 22 13.615 -19.098 -25.494 1.00 34.00 H new ATOM 0 HG2 PRO A 22 12.093 -20.606 -23.811 1.00 11.00 H new ATOM 0 HG3 PRO A 22 12.682 -19.015 -23.373 1.00 11.00 H new ATOM 0 HD2 PRO A 22 9.945 -19.801 -24.376 1.00 31.00 H new ATOM 0 HD3 PRO A 22 10.365 -18.714 -23.067 1.00 31.00 H new ATOM 352 N ARG A 23 9.767 -18.835 -27.327 1.00 43.00 N ATOM 353 CA ARG A 23 9.043 -19.330 -28.478 1.00 31.00 C ATOM 354 C ARG A 23 8.176 -18.258 -29.081 1.00 50.00 C ATOM 355 O ARG A 23 8.099 -18.127 -30.294 1.00 52.00 O ATOM 356 CB ARG A 23 8.138 -20.490 -28.069 1.00 2.00 C ATOM 357 CG ARG A 23 8.851 -21.686 -27.484 1.00 13.00 C ATOM 358 CD ARG A 23 9.771 -22.339 -28.498 1.00 51.00 C ATOM 359 NE ARG A 23 10.342 -23.573 -27.971 1.00 62.00 N ATOM 360 CZ ARG A 23 10.076 -24.799 -28.444 1.00 53.00 C ATOM 361 NH1 ARG A 23 9.256 -24.960 -29.489 1.00 3.00 N ATOM 362 NH2 ARG A 23 10.630 -25.862 -27.874 1.00 51.00 N ATOM 0 H ARG A 23 9.187 -18.652 -26.508 1.00 43.00 H new ATOM 0 HA ARG A 23 9.782 -19.656 -29.210 1.00 31.00 H new ATOM 0 HB2 ARG A 23 7.415 -20.126 -27.340 1.00 2.00 H new ATOM 0 HB3 ARG A 23 7.574 -20.815 -28.943 1.00 2.00 H new ATOM 0 HG2 ARG A 23 9.430 -21.376 -26.614 1.00 13.00 H new ATOM 0 HG3 ARG A 23 8.117 -22.413 -27.136 1.00 13.00 H new ATOM 0 HD2 ARG A 23 9.217 -22.552 -29.412 1.00 51.00 H new ATOM 0 HD3 ARG A 23 10.572 -21.649 -28.765 1.00 51.00 H new ATOM 0 HE ARG A 23 10.990 -23.498 -27.187 1.00 62.00 H new ATOM 0 HH11 ARG A 23 8.828 -24.147 -29.932 1.00 3.00 H new ATOM 0 HH12 ARG A 23 9.059 -25.896 -29.843 1.00 3.00 H new ATOM 0 HH21 ARG A 23 11.257 -25.745 -27.078 1.00 51.00 H new ATOM 0 HH22 ARG A 23 10.429 -26.796 -28.232 1.00 51.00 H new ATOM 376 N GLN A 24 7.544 -17.490 -28.206 1.00 54.00 N ATOM 377 CA GLN A 24 6.513 -16.564 -28.565 1.00 45.00 C ATOM 378 C GLN A 24 5.356 -17.288 -29.175 1.00 30.00 C ATOM 379 O GLN A 24 4.981 -17.122 -30.344 1.00 22.00 O ATOM 380 CB GLN A 24 7.006 -15.351 -29.321 1.00 31.00 C ATOM 381 CG GLN A 24 7.613 -14.326 -28.386 1.00 24.00 C ATOM 382 CD GLN A 24 8.219 -13.157 -29.094 1.00 50.00 C ATOM 383 OE1 GLN A 24 9.412 -13.156 -29.406 1.00 10.00 O ATOM 384 NE2 GLN A 24 7.421 -12.179 -29.388 1.00 51.00 N ATOM 0 H GLN A 24 7.748 -17.504 -27.207 1.00 54.00 H new ATOM 0 HA GLN A 24 6.134 -16.107 -27.651 1.00 45.00 H new ATOM 0 HB2 GLN A 24 7.748 -15.657 -30.059 1.00 31.00 H new ATOM 0 HB3 GLN A 24 6.178 -14.901 -29.869 1.00 31.00 H new ATOM 0 HG2 GLN A 24 6.843 -13.968 -27.703 1.00 24.00 H new ATOM 0 HG3 GLN A 24 8.378 -14.809 -27.778 1.00 24.00 H new ATOM 0 HE21 GLN A 24 6.440 -12.220 -29.111 1.00 51.00 H new ATOM 0 HE22 GLN A 24 7.774 -11.368 -29.897 1.00 51.00 H new ATOM 393 N GLU A 25 4.884 -18.191 -28.374 1.00 64.00 N ATOM 394 CA GLU A 25 3.777 -19.019 -28.646 1.00 74.00 C ATOM 395 C GLU A 25 2.944 -18.997 -27.399 1.00 12.00 C ATOM 396 O GLU A 25 3.492 -18.966 -26.291 1.00 63.00 O ATOM 397 CB GLU A 25 4.260 -20.436 -28.945 1.00 11.00 C ATOM 398 CG GLU A 25 3.169 -21.431 -29.290 1.00 55.00 C ATOM 399 CD GLU A 25 3.731 -22.785 -29.605 1.00 12.00 C ATOM 400 OE1 GLU A 25 3.934 -23.596 -28.668 1.00 61.00 O ATOM 401 OE2 GLU A 25 4.002 -23.062 -30.797 1.00 53.00 O ATOM 0 H GLU A 25 5.295 -18.372 -27.458 1.00 64.00 H new ATOM 0 HA GLU A 25 3.207 -18.679 -29.510 1.00 74.00 H new ATOM 0 HB2 GLU A 25 4.967 -20.394 -29.774 1.00 11.00 H new ATOM 0 HB3 GLU A 25 4.807 -20.807 -28.078 1.00 11.00 H new ATOM 0 HG2 GLU A 25 2.473 -21.511 -28.455 1.00 55.00 H new ATOM 0 HG3 GLU A 25 2.600 -21.065 -30.145 1.00 55.00 H new ATOM 408 N VAL A 26 1.671 -18.962 -27.565 1.00 1.00 N ATOM 409 CA VAL A 26 0.751 -18.897 -26.451 1.00 12.00 C ATOM 410 C VAL A 26 -0.180 -20.063 -26.473 1.00 73.00 C ATOM 411 O VAL A 26 -0.739 -20.409 -27.499 1.00 4.00 O ATOM 412 CB VAL A 26 -0.080 -17.575 -26.428 1.00 62.00 C ATOM 413 CG1 VAL A 26 0.803 -16.377 -26.163 1.00 72.00 C ATOM 414 CG2 VAL A 26 -0.857 -17.369 -27.720 1.00 43.00 C ATOM 0 H VAL A 26 1.219 -18.977 -28.479 1.00 1.00 H new ATOM 0 HA VAL A 26 1.361 -18.921 -25.548 1.00 12.00 H new ATOM 0 HB VAL A 26 -0.797 -17.671 -25.613 1.00 62.00 H new ATOM 0 HG11 VAL A 26 0.195 -15.472 -26.153 1.00 72.00 H new ATOM 0 HG12 VAL A 26 1.295 -16.494 -25.198 1.00 72.00 H new ATOM 0 HG13 VAL A 26 1.556 -16.300 -26.947 1.00 72.00 H new ATOM 0 HG21 VAL A 26 -1.421 -16.438 -27.661 1.00 43.00 H new ATOM 0 HG22 VAL A 26 -0.162 -17.320 -28.558 1.00 43.00 H new ATOM 0 HG23 VAL A 26 -1.545 -18.201 -27.867 1.00 43.00 H new ATOM 424 N SER A 27 -0.288 -20.708 -25.379 1.00 73.00 N ATOM 425 CA SER A 27 -1.242 -21.749 -25.241 1.00 14.00 C ATOM 426 C SER A 27 -2.240 -21.314 -24.212 1.00 41.00 C ATOM 427 O SER A 27 -1.894 -21.117 -23.058 1.00 21.00 O ATOM 428 CB SER A 27 -0.568 -23.042 -24.849 1.00 33.00 C ATOM 429 OG SER A 27 0.530 -23.286 -25.717 1.00 32.00 O ATOM 0 H SER A 27 0.279 -20.534 -24.549 1.00 73.00 H new ATOM 0 HA SER A 27 -1.747 -21.936 -26.189 1.00 14.00 H new ATOM 0 HB2 SER A 27 -0.224 -22.986 -23.816 1.00 33.00 H new ATOM 0 HB3 SER A 27 -1.279 -23.866 -24.904 1.00 33.00 H new ATOM 0 HG SER A 27 0.969 -24.124 -25.462 1.00 32.00 H new ATOM 435 N PHE A 28 -3.440 -21.124 -24.627 1.00 70.00 N ATOM 436 CA PHE A 28 -4.442 -20.618 -23.761 1.00 11.00 C ATOM 437 C PHE A 28 -5.749 -21.298 -23.973 1.00 63.00 C ATOM 438 O PHE A 28 -6.016 -21.877 -25.027 1.00 53.00 O ATOM 439 CB PHE A 28 -4.590 -19.089 -23.868 1.00 3.00 C ATOM 440 CG PHE A 28 -5.008 -18.527 -25.216 1.00 62.00 C ATOM 441 CD1 PHE A 28 -6.327 -18.614 -25.656 1.00 33.00 C ATOM 442 CD2 PHE A 28 -4.092 -17.870 -26.013 1.00 24.00 C ATOM 443 CE1 PHE A 28 -6.714 -18.063 -26.857 1.00 71.00 C ATOM 444 CE2 PHE A 28 -4.475 -17.321 -27.220 1.00 25.00 C ATOM 445 CZ PHE A 28 -5.788 -17.418 -27.641 1.00 44.00 C ATOM 0 H PHE A 28 -3.756 -21.315 -25.578 1.00 70.00 H new ATOM 0 HA PHE A 28 -4.112 -20.839 -22.746 1.00 11.00 H new ATOM 0 HB2 PHE A 28 -5.321 -18.767 -23.126 1.00 3.00 H new ATOM 0 HB3 PHE A 28 -3.637 -18.637 -23.594 1.00 3.00 H new ATOM 0 HD1 PHE A 28 -7.058 -19.122 -25.045 1.00 33.00 H new ATOM 0 HD2 PHE A 28 -3.065 -17.785 -25.689 1.00 24.00 H new ATOM 0 HE1 PHE A 28 -7.741 -18.137 -27.182 1.00 71.00 H new ATOM 0 HE2 PHE A 28 -3.747 -16.815 -27.837 1.00 25.00 H new ATOM 0 HZ PHE A 28 -6.086 -16.987 -28.585 1.00 44.00 H new ATOM 455 N VAL A 29 -6.531 -21.239 -22.970 1.00 31.00 N ATOM 456 CA VAL A 29 -7.822 -21.782 -22.949 1.00 70.00 C ATOM 457 C VAL A 29 -8.761 -20.708 -23.414 1.00 62.00 C ATOM 458 O VAL A 29 -8.943 -19.684 -22.768 1.00 54.00 O ATOM 459 CB VAL A 29 -8.181 -22.356 -21.530 1.00 54.00 C ATOM 460 CG1 VAL A 29 -7.924 -21.358 -20.411 1.00 43.00 C ATOM 461 CG2 VAL A 29 -9.604 -22.884 -21.477 1.00 5.00 C ATOM 0 H VAL A 29 -6.271 -20.785 -22.094 1.00 31.00 H new ATOM 0 HA VAL A 29 -7.900 -22.638 -23.619 1.00 70.00 H new ATOM 0 HB VAL A 29 -7.507 -23.197 -21.365 1.00 54.00 H new ATOM 0 HG11 VAL A 29 -8.189 -21.808 -19.454 1.00 43.00 H new ATOM 0 HG12 VAL A 29 -6.869 -21.084 -20.403 1.00 43.00 H new ATOM 0 HG13 VAL A 29 -8.529 -20.466 -20.573 1.00 43.00 H new ATOM 0 HG21 VAL A 29 -9.811 -23.271 -20.479 1.00 5.00 H new ATOM 0 HG22 VAL A 29 -10.300 -22.077 -21.705 1.00 5.00 H new ATOM 0 HG23 VAL A 29 -9.723 -23.683 -22.209 1.00 5.00 H new ATOM 471 N TYR A 30 -9.291 -20.922 -24.572 1.00 44.00 N ATOM 472 CA TYR A 30 -10.137 -19.919 -25.208 1.00 45.00 C ATOM 473 C TYR A 30 -11.530 -19.949 -24.650 1.00 4.00 C ATOM 474 O TYR A 30 -12.280 -18.982 -24.762 1.00 15.00 O ATOM 475 CB TYR A 30 -10.153 -20.070 -26.740 1.00 24.00 C ATOM 476 CG TYR A 30 -10.762 -21.351 -27.274 1.00 21.00 C ATOM 477 CD1 TYR A 30 -12.124 -21.436 -27.536 1.00 1.00 C ATOM 478 CD2 TYR A 30 -9.981 -22.457 -27.542 1.00 3.00 C ATOM 479 CE1 TYR A 30 -12.681 -22.582 -28.043 1.00 21.00 C ATOM 480 CE2 TYR A 30 -10.539 -23.609 -28.048 1.00 2.00 C ATOM 481 CZ TYR A 30 -11.886 -23.664 -28.296 1.00 61.00 C ATOM 482 OH TYR A 30 -12.437 -24.811 -28.800 1.00 12.00 O ATOM 0 H TYR A 30 -9.164 -21.778 -25.113 1.00 44.00 H new ATOM 0 HA TYR A 30 -9.704 -18.945 -24.982 1.00 45.00 H new ATOM 0 HB2 TYR A 30 -10.700 -19.227 -27.163 1.00 24.00 H new ATOM 0 HB3 TYR A 30 -9.128 -19.999 -27.103 1.00 24.00 H new ATOM 0 HD1 TYR A 30 -12.756 -20.583 -27.337 1.00 1.00 H new ATOM 0 HD2 TYR A 30 -8.919 -22.418 -27.352 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -13.742 -22.629 -28.241 1.00 21.00 H new ATOM 0 HE2 TYR A 30 -9.916 -24.468 -28.249 1.00 2.00 H new ATOM 0 HH TYR A 30 -13.218 -24.586 -29.347 1.00 12.00 H new ATOM 492 N ASP A 31 -11.867 -21.064 -24.062 1.00 60.00 N ATOM 493 CA ASP A 31 -13.167 -21.254 -23.488 1.00 23.00 C ATOM 494 C ASP A 31 -13.152 -22.488 -22.625 1.00 3.00 C ATOM 495 O ASP A 31 -13.197 -22.389 -21.392 1.00 10.00 O ATOM 496 CB ASP A 31 -14.246 -21.364 -24.579 1.00 32.00 C ATOM 497 CG ASP A 31 -15.659 -21.481 -24.027 1.00 4.00 C ATOM 498 OD1 ASP A 31 -16.085 -22.589 -23.671 1.00 4.00 O ATOM 499 OD2 ASP A 31 -16.381 -20.461 -23.965 1.00 72.00 O ATOM 0 H ASP A 31 -11.245 -21.867 -23.968 1.00 60.00 H new ATOM 0 HA ASP A 31 -13.413 -20.387 -22.875 1.00 23.00 H new ATOM 0 HB2 ASP A 31 -14.188 -20.488 -25.225 1.00 32.00 H new ATOM 0 HB3 ASP A 31 -14.035 -22.234 -25.201 1.00 32.00 H new ATOM 504 N ASN A 32 -13.014 -23.652 -23.251 1.00 71.00 N ATOM 505 CA ASN A 32 -13.053 -24.894 -22.496 1.00 70.00 C ATOM 506 C ASN A 32 -11.881 -25.824 -22.844 1.00 62.00 C ATOM 507 O ASN A 32 -11.798 -26.937 -22.341 1.00 22.00 O ATOM 508 CB ASN A 32 -14.409 -25.599 -22.714 1.00 50.00 C ATOM 509 CG ASN A 32 -14.664 -26.795 -21.796 1.00 45.00 C ATOM 510 OD1 ASN A 32 -14.196 -26.841 -20.647 1.00 30.00 O ATOM 511 ND2 ASN A 32 -15.400 -27.759 -22.288 1.00 61.00 N ATOM 0 H ASN A 32 -12.877 -23.759 -24.256 1.00 71.00 H new ATOM 0 HA ASN A 32 -12.948 -24.646 -21.440 1.00 70.00 H new ATOM 0 HB2 ASN A 32 -15.208 -24.872 -22.570 1.00 50.00 H new ATOM 0 HB3 ASN A 32 -14.466 -25.935 -23.749 1.00 50.00 H new ATOM 0 HD21 ASN A 32 -15.606 -28.583 -21.723 1.00 61.00 H new ATOM 0 HD22 ASN A 32 -15.768 -27.687 -23.237 1.00 61.00 H new ATOM 518 N GLN A 33 -10.937 -25.361 -23.635 1.00 21.00 N ATOM 519 CA GLN A 33 -9.828 -26.188 -24.005 1.00 10.00 C ATOM 520 C GLN A 33 -8.717 -25.309 -24.386 1.00 20.00 C ATOM 521 O GLN A 33 -8.924 -24.103 -24.645 1.00 52.00 O ATOM 522 CB GLN A 33 -10.141 -27.189 -25.125 1.00 11.00 C ATOM 523 CG GLN A 33 -10.453 -26.561 -26.447 1.00 11.00 C ATOM 524 CD GLN A 33 -10.531 -27.575 -27.566 1.00 42.00 C ATOM 525 OE1 GLN A 33 -9.852 -28.604 -27.545 1.00 50.00 O ATOM 526 NE2 GLN A 33 -11.322 -27.302 -28.543 1.00 51.00 N ATOM 0 H GLN A 33 -10.922 -24.420 -24.028 1.00 21.00 H new ATOM 0 HA GLN A 33 -9.568 -26.805 -23.145 1.00 10.00 H new ATOM 0 HB2 GLN A 33 -9.289 -27.858 -25.246 1.00 11.00 H new ATOM 0 HB3 GLN A 33 -10.988 -27.804 -24.820 1.00 11.00 H new ATOM 0 HG2 GLN A 33 -11.401 -26.028 -26.378 1.00 11.00 H new ATOM 0 HG3 GLN A 33 -9.688 -25.822 -26.684 1.00 11.00 H new ATOM 0 HE21 GLN A 33 -11.870 -26.442 -28.530 1.00 51.00 H new ATOM 0 HE22 GLN A 33 -11.401 -27.945 -29.330 1.00 51.00 H new ATOM 535 N LEU A 34 -7.572 -25.869 -24.431 1.00 33.00 N ATOM 536 CA LEU A 34 -6.391 -25.125 -24.652 1.00 23.00 C ATOM 537 C LEU A 34 -5.987 -25.178 -26.121 1.00 2.00 C ATOM 538 O LEU A 34 -5.948 -26.249 -26.729 1.00 71.00 O ATOM 539 CB LEU A 34 -5.244 -25.655 -23.770 1.00 42.00 C ATOM 540 CG LEU A 34 -5.243 -25.353 -22.243 1.00 63.00 C ATOM 541 CD1 LEU A 34 -5.003 -23.900 -21.977 1.00 31.00 C ATOM 542 CD2 LEU A 34 -6.515 -25.833 -21.541 1.00 4.00 C ATOM 0 H LEU A 34 -7.423 -26.871 -24.314 1.00 33.00 H new ATOM 0 HA LEU A 34 -6.590 -24.088 -24.383 1.00 23.00 H new ATOM 0 HB2 LEU A 34 -5.216 -26.738 -23.888 1.00 42.00 H new ATOM 0 HB3 LEU A 34 -4.312 -25.266 -24.180 1.00 42.00 H new ATOM 0 HG LEU A 34 -4.416 -25.923 -21.819 1.00 63.00 H new ATOM 0 HD11 LEU A 34 -5.008 -23.721 -20.902 1.00 31.00 H new ATOM 0 HD12 LEU A 34 -4.036 -23.610 -22.389 1.00 31.00 H new ATOM 0 HD13 LEU A 34 -5.790 -23.309 -22.447 1.00 31.00 H new ATOM 0 HD21 LEU A 34 -6.456 -25.595 -20.479 1.00 4.00 H new ATOM 0 HD22 LEU A 34 -7.381 -25.335 -21.977 1.00 4.00 H new ATOM 0 HD23 LEU A 34 -6.615 -26.911 -21.666 1.00 4.00 H new ATOM 554 N LEU A 35 -5.711 -24.042 -26.671 1.00 34.00 N ATOM 555 CA LEU A 35 -5.260 -23.903 -28.015 1.00 0.00 C ATOM 556 C LEU A 35 -3.866 -23.300 -27.952 1.00 2.00 C ATOM 557 O LEU A 35 -3.523 -22.662 -26.961 1.00 22.00 O ATOM 558 CB LEU A 35 -6.179 -22.921 -28.706 1.00 53.00 C ATOM 559 CG LEU A 35 -6.663 -23.259 -30.104 1.00 1.00 C ATOM 560 CD1 LEU A 35 -5.530 -23.440 -31.104 1.00 53.00 C ATOM 561 CD2 LEU A 35 -7.596 -24.450 -30.085 1.00 1.00 C ATOM 0 H LEU A 35 -5.797 -23.153 -26.178 1.00 34.00 H new ATOM 0 HA LEU A 35 -5.253 -24.855 -28.545 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.056 -22.783 -28.074 1.00 53.00 H new ATOM 0 HB3 LEU A 35 -5.666 -21.961 -28.754 1.00 53.00 H new ATOM 0 HG LEU A 35 -7.228 -22.395 -30.454 1.00 1.00 H new ATOM 0 HD11 LEU A 35 -5.944 -23.680 -32.083 1.00 53.00 H new ATOM 0 HD12 LEU A 35 -4.952 -22.518 -31.170 1.00 53.00 H new ATOM 0 HD13 LEU A 35 -4.881 -24.252 -30.776 1.00 53.00 H new ATOM 0 HD21 LEU A 35 -7.927 -24.669 -31.100 1.00 1.00 H new ATOM 0 HD22 LEU A 35 -7.073 -25.316 -29.679 1.00 1.00 H new ATOM 0 HD23 LEU A 35 -8.462 -24.224 -29.462 1.00 1.00 H new ATOM 573 N HIS A 36 -3.084 -23.483 -28.968 1.00 54.00 N ATOM 574 CA HIS A 36 -1.757 -22.906 -29.012 1.00 3.00 C ATOM 575 C HIS A 36 -1.560 -22.113 -30.284 1.00 51.00 C ATOM 576 O HIS A 36 -1.658 -22.640 -31.387 1.00 32.00 O ATOM 577 CB HIS A 36 -0.631 -23.941 -28.764 1.00 20.00 C ATOM 578 CG HIS A 36 -0.638 -25.151 -29.664 1.00 61.00 C ATOM 579 ND1 HIS A 36 -1.267 -26.314 -29.289 1.00 52.00 N ATOM 580 CD2 HIS A 36 -0.066 -25.329 -30.872 1.00 30.00 C ATOM 581 CE1 HIS A 36 -1.058 -27.169 -30.278 1.00 5.00 C ATOM 582 NE2 HIS A 36 -0.339 -26.615 -31.252 1.00 45.00 N ATOM 0 H HIS A 36 -3.335 -24.031 -29.791 1.00 54.00 H new ATOM 0 HA HIS A 36 -1.681 -22.210 -28.176 1.00 3.00 H new ATOM 0 HB2 HIS A 36 0.329 -23.437 -28.873 1.00 20.00 H new ATOM 0 HB3 HIS A 36 -0.698 -24.281 -27.730 1.00 20.00 H new ATOM 0 HD2 HIS A 36 0.499 -24.598 -31.432 1.00 30.00 H new ATOM 0 HE1 HIS A 36 -1.424 -28.185 -30.293 1.00 5.00 H new ATOM 0 HE2 HIS A 36 -0.046 -27.065 -32.119 1.00 45.00 H new ATOM 590 N LEU A 37 -1.314 -20.847 -30.115 1.00 23.00 N ATOM 591 CA LEU A 37 -1.197 -19.913 -31.203 1.00 44.00 C ATOM 592 C LEU A 37 0.183 -19.377 -31.221 1.00 13.00 C ATOM 593 O LEU A 37 0.817 -19.263 -30.175 1.00 50.00 O ATOM 594 CB LEU A 37 -2.186 -18.743 -31.065 1.00 55.00 C ATOM 595 CG LEU A 37 -3.703 -19.103 -30.992 1.00 3.00 C ATOM 596 CD1 LEU A 37 -4.083 -19.769 -29.671 1.00 2.00 C ATOM 597 CD2 LEU A 37 -4.571 -17.893 -31.232 1.00 14.00 C ATOM 0 H LEU A 37 -1.186 -20.422 -29.196 1.00 23.00 H new ATOM 0 HA LEU A 37 -1.428 -20.439 -32.129 1.00 44.00 H new ATOM 0 HB2 LEU A 37 -1.927 -18.184 -30.166 1.00 55.00 H new ATOM 0 HB3 LEU A 37 -2.037 -18.072 -31.911 1.00 55.00 H new ATOM 0 HG LEU A 37 -3.882 -19.825 -31.789 1.00 3.00 H new ATOM 0 HD11 LEU A 37 -5.149 -19.998 -29.673 1.00 2.00 H new ATOM 0 HD12 LEU A 37 -3.513 -20.691 -29.551 1.00 2.00 H new ATOM 0 HD13 LEU A 37 -3.858 -19.094 -28.845 1.00 2.00 H new ATOM 0 HD21 LEU A 37 -5.621 -18.181 -31.174 1.00 14.00 H new ATOM 0 HD22 LEU A 37 -4.359 -17.138 -30.475 1.00 14.00 H new ATOM 0 HD23 LEU A 37 -4.361 -17.485 -32.221 1.00 14.00 H new ATOM 609 N LYS A 38 0.645 -19.023 -32.365 1.00 21.00 N ATOM 610 CA LYS A 38 1.984 -18.571 -32.490 1.00 21.00 C ATOM 611 C LYS A 38 2.017 -17.204 -33.084 1.00 40.00 C ATOM 612 O LYS A 38 1.102 -16.828 -33.830 1.00 33.00 O ATOM 613 CB LYS A 38 2.758 -19.519 -33.345 1.00 14.00 C ATOM 614 CG LYS A 38 2.308 -19.571 -34.793 1.00 30.00 C ATOM 615 CD LYS A 38 3.235 -20.421 -35.612 1.00 1.00 C ATOM 616 CE LYS A 38 3.195 -21.883 -35.180 1.00 2.00 C ATOM 617 NZ LYS A 38 4.014 -22.751 -36.047 1.00 33.00 N ATOM 0 H LYS A 38 0.112 -19.038 -33.234 1.00 21.00 H new ATOM 0 HA LYS A 38 2.436 -18.530 -31.499 1.00 21.00 H new ATOM 0 HB2 LYS A 38 3.811 -19.239 -33.315 1.00 14.00 H new ATOM 0 HB3 LYS A 38 2.682 -20.519 -32.918 1.00 14.00 H new ATOM 0 HG2 LYS A 38 1.296 -19.972 -34.849 1.00 30.00 H new ATOM 0 HG3 LYS A 38 2.275 -18.562 -35.204 1.00 30.00 H new ATOM 0 HD2 LYS A 38 2.962 -20.346 -36.665 1.00 1.00 H new ATOM 0 HD3 LYS A 38 4.253 -20.042 -35.519 1.00 1.00 H new ATOM 0 HE2 LYS A 38 3.548 -21.965 -34.152 1.00 2.00 H new ATOM 0 HE3 LYS A 38 2.163 -22.234 -35.191 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 3.953 -23.734 -35.711 1.00 33.00 H new ATOM 0 HZ2 LYS A 38 3.662 -22.697 -37.024 1.00 33.00 H new ATOM 0 HZ3 LYS A 38 5.005 -22.436 -36.017 1.00 33.00 H new ATOM 631 N GLN A 39 3.052 -16.483 -32.785 1.00 43.00 N ATOM 632 CA GLN A 39 3.180 -15.123 -33.250 1.00 60.00 C ATOM 633 C GLN A 39 3.661 -15.074 -34.681 1.00 10.00 C ATOM 634 O GLN A 39 4.830 -15.353 -34.995 1.00 71.00 O ATOM 635 CB GLN A 39 4.044 -14.281 -32.333 1.00 53.00 C ATOM 636 CG GLN A 39 4.166 -12.831 -32.776 1.00 43.00 C ATOM 637 CD GLN A 39 4.905 -11.967 -31.786 1.00 4.00 C ATOM 638 OE1 GLN A 39 4.863 -12.200 -30.587 1.00 24.00 O ATOM 639 NE2 GLN A 39 5.578 -10.964 -32.274 1.00 31.00 N ATOM 0 H GLN A 39 3.832 -16.811 -32.215 1.00 43.00 H new ATOM 0 HA GLN A 39 2.184 -14.682 -33.225 1.00 60.00 H new ATOM 0 HB2 GLN A 39 3.628 -14.311 -31.326 1.00 53.00 H new ATOM 0 HB3 GLN A 39 5.040 -14.721 -32.280 1.00 53.00 H new ATOM 0 HG2 GLN A 39 4.681 -12.793 -33.736 1.00 43.00 H new ATOM 0 HG3 GLN A 39 3.168 -12.421 -32.933 1.00 43.00 H new ATOM 0 HE21 GLN A 39 5.591 -10.800 -33.281 1.00 31.00 H new ATOM 0 HE22 GLN A 39 6.092 -10.343 -31.649 1.00 31.00 H new ATOM 648 N GLY A 40 2.755 -14.744 -35.528 1.00 22.00 N ATOM 649 CA GLY A 40 3.015 -14.667 -36.935 1.00 32.00 C ATOM 650 C GLY A 40 3.069 -13.242 -37.400 1.00 42.00 C ATOM 651 O GLY A 40 3.943 -12.479 -36.974 1.00 33.00 O ATOM 0 H GLY A 40 1.796 -14.515 -35.268 1.00 22.00 H new ATOM 0 HA2 GLY A 40 3.960 -15.162 -37.160 1.00 32.00 H new ATOM 0 HA3 GLY A 40 2.237 -15.201 -37.481 1.00 32.00 H new ATOM 655 N ILE A 41 2.121 -12.861 -38.230 1.00 74.00 N ATOM 656 CA ILE A 41 2.080 -11.519 -38.764 1.00 54.00 C ATOM 657 C ILE A 41 1.575 -10.572 -37.701 1.00 12.00 C ATOM 658 O ILE A 41 0.424 -10.644 -37.300 1.00 11.00 O ATOM 659 CB ILE A 41 1.175 -11.365 -40.038 1.00 33.00 C ATOM 660 CG1 ILE A 41 1.654 -12.234 -41.227 1.00 53.00 C ATOM 661 CG2 ILE A 41 1.117 -9.900 -40.462 1.00 62.00 C ATOM 662 CD1 ILE A 41 1.396 -13.722 -41.095 1.00 62.00 C ATOM 0 H ILE A 41 1.365 -13.467 -38.550 1.00 74.00 H new ATOM 0 HA ILE A 41 3.100 -11.283 -39.067 1.00 54.00 H new ATOM 0 HB ILE A 41 0.181 -11.718 -39.763 1.00 33.00 H new ATOM 0 HG12 ILE A 41 1.166 -11.878 -42.134 1.00 53.00 H new ATOM 0 HG13 ILE A 41 2.725 -12.079 -41.359 1.00 53.00 H new ATOM 0 HG21 ILE A 41 0.487 -9.802 -41.346 1.00 62.00 H new ATOM 0 HG22 ILE A 41 0.700 -9.303 -39.651 1.00 62.00 H new ATOM 0 HG23 ILE A 41 2.123 -9.548 -40.692 1.00 62.00 H new ATOM 0 HD11 ILE A 41 1.770 -14.236 -41.980 1.00 62.00 H new ATOM 0 HD12 ILE A 41 1.908 -14.103 -40.211 1.00 62.00 H new ATOM 0 HD13 ILE A 41 0.325 -13.898 -40.998 1.00 62.00 H new ATOM 674 N SER A 42 2.427 -9.723 -37.246 1.00 20.00 N ATOM 675 CA SER A 42 2.079 -8.769 -36.256 1.00 63.00 C ATOM 676 C SER A 42 2.170 -7.372 -36.844 1.00 24.00 C ATOM 677 O SER A 42 3.006 -7.115 -37.712 1.00 65.00 O ATOM 678 CB SER A 42 3.026 -8.912 -35.086 1.00 51.00 C ATOM 679 OG SER A 42 2.997 -10.243 -34.578 1.00 4.00 O ATOM 0 H SER A 42 3.398 -9.671 -37.555 1.00 20.00 H new ATOM 0 HA SER A 42 1.058 -8.937 -35.914 1.00 63.00 H new ATOM 0 HB2 SER A 42 4.039 -8.658 -35.398 1.00 51.00 H new ATOM 0 HB3 SER A 42 2.749 -8.210 -34.299 1.00 51.00 H new ATOM 0 HG SER A 42 3.739 -10.370 -33.950 1.00 4.00 H new ATOM 685 N ALA A 43 1.290 -6.499 -36.419 1.00 21.00 N ATOM 686 CA ALA A 43 1.318 -5.156 -36.844 1.00 14.00 C ATOM 687 C ALA A 43 1.523 -4.243 -35.645 1.00 12.00 C ATOM 688 O ALA A 43 2.648 -3.991 -35.235 1.00 42.00 O ATOM 689 CB ALA A 43 0.090 -4.786 -37.669 1.00 60.00 C ATOM 0 H ALA A 43 0.538 -6.719 -35.766 1.00 21.00 H new ATOM 0 HA ALA A 43 2.165 -5.021 -37.517 1.00 14.00 H new ATOM 0 HB1 ALA A 43 0.157 -3.742 -37.973 1.00 60.00 H new ATOM 0 HB2 ALA A 43 0.042 -5.420 -38.555 1.00 60.00 H new ATOM 0 HB3 ALA A 43 -0.809 -4.932 -37.070 1.00 60.00 H new ATOM 695 N SER A 44 0.449 -3.809 -35.041 1.00 51.00 N ATOM 696 CA SER A 44 0.542 -2.999 -33.860 1.00 70.00 C ATOM 697 C SER A 44 0.382 -3.892 -32.637 1.00 1.00 C ATOM 698 O SER A 44 -0.696 -3.988 -32.064 1.00 14.00 O ATOM 699 CB SER A 44 -0.536 -1.911 -33.887 1.00 42.00 C ATOM 700 OG SER A 44 -0.483 -1.189 -35.115 1.00 0.00 O ATOM 0 H SER A 44 -0.503 -4.005 -35.350 1.00 51.00 H new ATOM 0 HA SER A 44 1.515 -2.509 -33.818 1.00 70.00 H new ATOM 0 HB2 SER A 44 -1.521 -2.363 -33.766 1.00 42.00 H new ATOM 0 HB3 SER A 44 -0.393 -1.228 -33.050 1.00 42.00 H new ATOM 0 HG SER A 44 -1.178 -0.498 -35.119 1.00 0.00 H new ATOM 706 N GLY A 45 1.414 -4.621 -32.316 1.00 53.00 N ATOM 707 CA GLY A 45 1.361 -5.519 -31.201 1.00 12.00 C ATOM 708 C GLY A 45 2.094 -6.789 -31.508 1.00 44.00 C ATOM 709 O GLY A 45 3.256 -6.758 -31.926 1.00 14.00 O ATOM 0 H GLY A 45 2.304 -4.609 -32.814 1.00 53.00 H new ATOM 0 HA2 GLY A 45 1.799 -5.043 -30.324 1.00 12.00 H new ATOM 0 HA3 GLY A 45 0.322 -5.743 -30.957 1.00 12.00 H new ATOM 713 N ALA A 46 1.410 -7.890 -31.370 1.00 0.00 N ATOM 714 CA ALA A 46 1.947 -9.173 -31.565 1.00 72.00 C ATOM 715 C ALA A 46 0.775 -10.026 -31.860 1.00 12.00 C ATOM 716 O ALA A 46 -0.225 -9.965 -31.135 1.00 14.00 O ATOM 717 CB ALA A 46 2.619 -9.623 -30.290 1.00 62.00 C ATOM 0 H ALA A 46 0.424 -7.899 -31.108 1.00 0.00 H new ATOM 0 HA ALA A 46 2.689 -9.213 -32.362 1.00 72.00 H new ATOM 0 HB1 ALA A 46 3.039 -10.619 -30.432 1.00 62.00 H new ATOM 0 HB2 ALA A 46 3.417 -8.926 -30.033 1.00 62.00 H new ATOM 0 HB3 ALA A 46 1.887 -9.650 -29.483 1.00 62.00 H new ATOM 723 N ARG A 47 0.810 -10.749 -32.918 1.00 24.00 N ATOM 724 CA ARG A 47 -0.325 -11.524 -33.243 1.00 43.00 C ATOM 725 C ARG A 47 -0.035 -13.004 -33.204 1.00 21.00 C ATOM 726 O ARG A 47 0.749 -13.513 -33.995 1.00 0.00 O ATOM 727 CB ARG A 47 -0.924 -11.162 -34.587 1.00 52.00 C ATOM 728 CG ARG A 47 -1.668 -9.844 -34.639 1.00 23.00 C ATOM 729 CD ARG A 47 -2.265 -9.630 -36.023 1.00 30.00 C ATOM 730 NE ARG A 47 -3.059 -10.796 -36.457 1.00 73.00 N ATOM 731 CZ ARG A 47 -3.652 -10.928 -37.652 1.00 31.00 C ATOM 732 NH1 ARG A 47 -3.680 -9.904 -38.511 1.00 55.00 N ATOM 733 NH2 ARG A 47 -4.218 -12.090 -37.981 1.00 22.00 N ATOM 0 H ARG A 47 1.597 -10.820 -33.563 1.00 24.00 H new ATOM 0 HA ARG A 47 -1.059 -11.288 -32.472 1.00 43.00 H new ATOM 0 HB2 ARG A 47 -0.123 -11.136 -35.326 1.00 52.00 H new ATOM 0 HB3 ARG A 47 -1.608 -11.957 -34.886 1.00 52.00 H new ATOM 0 HG2 ARG A 47 -2.459 -9.835 -33.889 1.00 23.00 H new ATOM 0 HG3 ARG A 47 -0.990 -9.026 -34.397 1.00 23.00 H new ATOM 0 HD2 ARG A 47 -2.897 -8.742 -36.014 1.00 30.00 H new ATOM 0 HD3 ARG A 47 -1.465 -9.446 -36.741 1.00 30.00 H new ATOM 0 HE ARG A 47 -3.165 -11.564 -35.794 1.00 73.00 H new ATOM 0 HH11 ARG A 47 -3.248 -9.015 -38.259 1.00 55.00 H new ATOM 0 HH12 ARG A 47 -4.133 -10.012 -39.418 1.00 55.00 H new ATOM 0 HH21 ARG A 47 -4.198 -12.871 -37.325 1.00 22.00 H new ATOM 0 HH22 ARG A 47 -4.671 -12.198 -38.888 1.00 22.00 H new ATOM 747 N TYR A 48 -0.683 -13.674 -32.314 1.00 73.00 N ATOM 748 CA TYR A 48 -0.589 -15.087 -32.171 1.00 33.00 C ATOM 749 C TYR A 48 -1.825 -15.650 -32.809 1.00 10.00 C ATOM 750 O TYR A 48 -2.918 -15.309 -32.437 1.00 62.00 O ATOM 751 CB TYR A 48 -0.512 -15.466 -30.692 1.00 63.00 C ATOM 752 CG TYR A 48 0.667 -14.856 -29.921 1.00 23.00 C ATOM 753 CD1 TYR A 48 0.645 -13.530 -29.486 1.00 64.00 C ATOM 754 CD2 TYR A 48 1.783 -15.616 -29.610 1.00 21.00 C ATOM 755 CE1 TYR A 48 1.695 -12.990 -28.775 1.00 44.00 C ATOM 756 CE2 TYR A 48 2.836 -15.078 -28.888 1.00 10.00 C ATOM 757 CZ TYR A 48 2.787 -13.768 -28.475 1.00 22.00 C ATOM 758 OH TYR A 48 3.832 -13.237 -27.746 1.00 25.00 O ATOM 0 H TYR A 48 -1.315 -13.238 -31.642 1.00 73.00 H new ATOM 0 HA TYR A 48 0.310 -15.483 -32.644 1.00 33.00 H new ATOM 0 HB2 TYR A 48 -1.439 -15.161 -30.207 1.00 63.00 H new ATOM 0 HB3 TYR A 48 -0.453 -16.552 -30.614 1.00 63.00 H new ATOM 0 HD1 TYR A 48 -0.213 -12.914 -29.711 1.00 64.00 H new ATOM 0 HD2 TYR A 48 1.833 -16.645 -29.936 1.00 21.00 H new ATOM 0 HE1 TYR A 48 1.660 -11.959 -28.455 1.00 44.00 H new ATOM 0 HE2 TYR A 48 3.695 -15.688 -28.650 1.00 10.00 H new ATOM 0 HH TYR A 48 4.442 -12.761 -28.348 1.00 25.00 H new ATOM 768 N THR A 49 -1.675 -16.437 -33.806 1.00 54.00 N ATOM 769 CA THR A 49 -2.827 -16.934 -34.512 1.00 3.00 C ATOM 770 C THR A 49 -2.598 -18.373 -34.938 1.00 54.00 C ATOM 771 O THR A 49 -1.463 -18.751 -35.281 1.00 52.00 O ATOM 772 CB THR A 49 -3.145 -16.010 -35.732 1.00 43.00 C ATOM 773 OG1 THR A 49 -3.393 -14.660 -35.274 1.00 24.00 O ATOM 774 CG2 THR A 49 -4.341 -16.495 -36.543 1.00 33.00 C ATOM 0 H THR A 49 -0.775 -16.759 -34.163 1.00 54.00 H new ATOM 0 HA THR A 49 -3.693 -16.921 -33.851 1.00 3.00 H new ATOM 0 HB THR A 49 -2.274 -16.037 -36.386 1.00 43.00 H new ATOM 0 HG1 THR A 49 -3.122 -14.024 -35.968 1.00 24.00 H new ATOM 0 HG21 THR A 49 -4.515 -15.815 -37.377 1.00 33.00 H new ATOM 0 HG22 THR A 49 -4.139 -17.495 -36.926 1.00 33.00 H new ATOM 0 HG23 THR A 49 -5.225 -16.522 -35.906 1.00 33.00 H new ATOM 782 N ASP A 50 -3.629 -19.200 -34.832 1.00 12.00 N ATOM 783 CA ASP A 50 -3.504 -20.566 -35.287 1.00 45.00 C ATOM 784 C ASP A 50 -4.743 -20.994 -36.058 1.00 21.00 C ATOM 785 O ASP A 50 -5.365 -22.002 -35.762 1.00 41.00 O ATOM 786 CB ASP A 50 -3.184 -21.534 -34.145 1.00 11.00 C ATOM 787 CG ASP A 50 -2.631 -22.860 -34.644 1.00 64.00 C ATOM 788 OD1 ASP A 50 -1.491 -22.860 -35.201 1.00 13.00 O ATOM 789 OD2 ASP A 50 -3.290 -23.906 -34.491 1.00 74.00 O ATOM 0 H ASP A 50 -4.539 -18.952 -34.443 1.00 12.00 H new ATOM 0 HA ASP A 50 -2.653 -20.605 -35.968 1.00 45.00 H new ATOM 0 HB2 ASP A 50 -2.461 -21.072 -33.473 1.00 11.00 H new ATOM 0 HB3 ASP A 50 -4.088 -21.717 -33.564 1.00 11.00 H new ATOM 794 N GLY A 51 -5.141 -20.143 -36.987 1.00 35.00 N ATOM 795 CA GLY A 51 -6.228 -20.419 -37.917 1.00 44.00 C ATOM 796 C GLY A 51 -7.624 -20.308 -37.331 1.00 74.00 C ATOM 797 O GLY A 51 -8.510 -19.672 -37.914 1.00 42.00 O ATOM 0 H GLY A 51 -4.714 -19.227 -37.121 1.00 35.00 H new ATOM 0 HA2 GLY A 51 -6.149 -19.730 -38.758 1.00 44.00 H new ATOM 0 HA3 GLY A 51 -6.097 -21.425 -38.315 1.00 44.00 H new ATOM 801 N ILE A 52 -7.800 -20.894 -36.186 1.00 71.00 N ATOM 802 CA ILE A 52 -9.088 -20.993 -35.539 1.00 20.00 C ATOM 803 C ILE A 52 -9.424 -19.670 -34.898 1.00 14.00 C ATOM 804 O ILE A 52 -10.548 -19.199 -34.969 1.00 0.00 O ATOM 805 CB ILE A 52 -9.084 -22.124 -34.463 1.00 54.00 C ATOM 806 CG1 ILE A 52 -8.625 -23.463 -35.071 1.00 2.00 C ATOM 807 CG2 ILE A 52 -10.462 -22.286 -33.823 1.00 63.00 C ATOM 808 CD1 ILE A 52 -9.492 -23.963 -36.221 1.00 13.00 C ATOM 0 H ILE A 52 -7.042 -21.328 -35.659 1.00 71.00 H new ATOM 0 HA ILE A 52 -9.841 -21.241 -36.287 1.00 20.00 H new ATOM 0 HB ILE A 52 -8.376 -21.832 -33.687 1.00 54.00 H new ATOM 0 HG12 ILE A 52 -7.600 -23.355 -35.425 1.00 2.00 H new ATOM 0 HG13 ILE A 52 -8.613 -24.219 -34.286 1.00 2.00 H new ATOM 0 HG21 ILE A 52 -10.426 -23.081 -33.078 1.00 63.00 H new ATOM 0 HG22 ILE A 52 -10.752 -21.352 -33.343 1.00 63.00 H new ATOM 0 HG23 ILE A 52 -11.192 -22.541 -34.591 1.00 63.00 H new ATOM 0 HD11 ILE A 52 -9.097 -24.910 -36.589 1.00 13.00 H new ATOM 0 HD12 ILE A 52 -10.514 -24.107 -35.870 1.00 13.00 H new ATOM 0 HD13 ILE A 52 -9.485 -23.229 -37.027 1.00 13.00 H new ATOM 820 N TYR A 53 -8.435 -19.071 -34.277 1.00 54.00 N ATOM 821 CA TYR A 53 -8.599 -17.781 -33.674 1.00 70.00 C ATOM 822 C TYR A 53 -7.425 -16.933 -33.958 1.00 44.00 C ATOM 823 O TYR A 53 -6.321 -17.434 -34.234 1.00 4.00 O ATOM 824 CB TYR A 53 -8.775 -17.837 -32.177 1.00 45.00 C ATOM 825 CG TYR A 53 -9.958 -18.643 -31.733 1.00 42.00 C ATOM 826 CD1 TYR A 53 -11.232 -18.200 -31.990 1.00 2.00 C ATOM 827 CD2 TYR A 53 -9.804 -19.870 -31.104 1.00 3.00 C ATOM 828 CE1 TYR A 53 -12.321 -18.936 -31.631 1.00 20.00 C ATOM 829 CE2 TYR A 53 -10.902 -20.621 -30.746 1.00 23.00 C ATOM 830 CZ TYR A 53 -12.163 -20.144 -31.016 1.00 60.00 C ATOM 831 OH TYR A 53 -13.279 -20.887 -30.677 1.00 44.00 O ATOM 0 H TYR A 53 -7.500 -19.467 -34.179 1.00 54.00 H new ATOM 0 HA TYR A 53 -9.508 -17.366 -34.109 1.00 70.00 H new ATOM 0 HB2 TYR A 53 -7.874 -18.257 -31.731 1.00 45.00 H new ATOM 0 HB3 TYR A 53 -8.876 -16.821 -31.795 1.00 45.00 H new ATOM 0 HD1 TYR A 53 -11.373 -17.251 -32.486 1.00 2.00 H new ATOM 0 HD2 TYR A 53 -8.812 -20.241 -30.893 1.00 3.00 H new ATOM 0 HE1 TYR A 53 -13.314 -18.562 -31.834 1.00 20.00 H new ATOM 0 HE2 TYR A 53 -10.774 -21.576 -30.258 1.00 23.00 H new ATOM 0 HH TYR A 53 -13.109 -21.370 -29.842 1.00 44.00 H new ATOM 841 N VAL A 54 -7.655 -15.679 -33.857 1.00 41.00 N ATOM 842 CA VAL A 54 -6.696 -14.663 -34.080 1.00 10.00 C ATOM 843 C VAL A 54 -6.500 -13.937 -32.766 1.00 2.00 C ATOM 844 O VAL A 54 -7.418 -13.274 -32.285 1.00 70.00 O ATOM 845 CB VAL A 54 -7.273 -13.668 -35.088 1.00 51.00 C ATOM 846 CG1 VAL A 54 -6.352 -12.463 -35.284 1.00 55.00 C ATOM 847 CG2 VAL A 54 -7.578 -14.333 -36.427 1.00 61.00 C ATOM 0 H VAL A 54 -8.571 -15.311 -33.601 1.00 41.00 H new ATOM 0 HA VAL A 54 -5.760 -15.080 -34.451 1.00 10.00 H new ATOM 0 HB VAL A 54 -8.213 -13.308 -34.670 1.00 51.00 H new ATOM 0 HG11 VAL A 54 -6.796 -11.779 -36.007 1.00 55.00 H new ATOM 0 HG12 VAL A 54 -6.219 -11.948 -34.332 1.00 55.00 H new ATOM 0 HG13 VAL A 54 -5.384 -12.801 -35.652 1.00 55.00 H new ATOM 0 HG21 VAL A 54 -7.986 -13.593 -37.116 1.00 61.00 H new ATOM 0 HG22 VAL A 54 -6.661 -14.750 -36.844 1.00 61.00 H new ATOM 0 HG23 VAL A 54 -8.305 -15.132 -36.279 1.00 61.00 H new ATOM 857 N PHE A 55 -5.366 -14.103 -32.171 1.00 10.00 N ATOM 858 CA PHE A 55 -5.070 -13.442 -30.929 1.00 63.00 C ATOM 859 C PHE A 55 -4.146 -12.275 -31.203 1.00 0.00 C ATOM 860 O PHE A 55 -3.150 -12.402 -31.919 1.00 42.00 O ATOM 861 CB PHE A 55 -4.462 -14.437 -29.909 1.00 43.00 C ATOM 862 CG PHE A 55 -4.004 -13.836 -28.601 1.00 70.00 C ATOM 863 CD1 PHE A 55 -4.869 -13.686 -27.531 1.00 70.00 C ATOM 864 CD2 PHE A 55 -2.698 -13.430 -28.446 1.00 31.00 C ATOM 865 CE1 PHE A 55 -4.438 -13.141 -26.353 1.00 22.00 C ATOM 866 CE2 PHE A 55 -2.262 -12.883 -27.271 1.00 42.00 C ATOM 867 CZ PHE A 55 -3.131 -12.737 -26.226 1.00 53.00 C ATOM 0 H PHE A 55 -4.616 -14.697 -32.525 1.00 10.00 H new ATOM 0 HA PHE A 55 -5.989 -13.061 -30.484 1.00 63.00 H new ATOM 0 HB2 PHE A 55 -5.203 -15.207 -29.694 1.00 43.00 H new ATOM 0 HB3 PHE A 55 -3.612 -14.934 -30.377 1.00 43.00 H new ATOM 0 HD1 PHE A 55 -5.897 -14.003 -27.627 1.00 70.00 H new ATOM 0 HD2 PHE A 55 -2.006 -13.545 -29.267 1.00 31.00 H new ATOM 0 HE1 PHE A 55 -5.123 -13.029 -25.525 1.00 22.00 H new ATOM 0 HE2 PHE A 55 -1.234 -12.567 -27.169 1.00 42.00 H new ATOM 0 HZ PHE A 55 -2.789 -12.303 -25.298 1.00 53.00 H new ATOM 877 N TRP A 56 -4.482 -11.166 -30.669 1.00 64.00 N ATOM 878 CA TRP A 56 -3.746 -9.994 -30.829 1.00 44.00 C ATOM 879 C TRP A 56 -3.384 -9.522 -29.448 1.00 71.00 C ATOM 880 O TRP A 56 -4.240 -9.405 -28.559 1.00 64.00 O ATOM 881 CB TRP A 56 -4.586 -8.935 -31.538 1.00 60.00 C ATOM 882 CG TRP A 56 -3.795 -7.783 -32.094 1.00 32.00 C ATOM 883 CD1 TRP A 56 -2.812 -7.079 -31.470 1.00 24.00 C ATOM 884 CD2 TRP A 56 -3.955 -7.179 -33.380 1.00 12.00 C ATOM 885 NE1 TRP A 56 -2.323 -6.121 -32.290 1.00 32.00 N ATOM 886 CE2 TRP A 56 -3.014 -6.141 -33.467 1.00 60.00 C ATOM 887 CE3 TRP A 56 -4.796 -7.421 -34.471 1.00 61.00 C ATOM 888 CZ2 TRP A 56 -2.887 -5.342 -34.594 1.00 44.00 C ATOM 889 CZ3 TRP A 56 -4.672 -6.622 -35.590 1.00 40.00 C ATOM 890 CH2 TRP A 56 -3.721 -5.596 -35.642 1.00 52.00 C ATOM 0 H TRP A 56 -5.312 -11.054 -30.087 1.00 64.00 H new ATOM 0 HA TRP A 56 -2.856 -10.171 -31.433 1.00 44.00 H new ATOM 0 HB2 TRP A 56 -5.135 -9.409 -32.352 1.00 60.00 H new ATOM 0 HB3 TRP A 56 -5.326 -8.547 -30.838 1.00 60.00 H new ATOM 0 HD1 TRP A 56 -2.470 -7.260 -30.462 1.00 24.00 H new ATOM 0 HE1 TRP A 56 -1.559 -5.484 -32.065 1.00 32.00 H new ATOM 0 HE3 TRP A 56 -5.527 -8.216 -34.439 1.00 61.00 H new ATOM 0 HZ2 TRP A 56 -2.155 -4.549 -34.639 1.00 44.00 H new ATOM 0 HZ3 TRP A 56 -5.319 -6.791 -36.438 1.00 40.00 H new ATOM 0 HH2 TRP A 56 -3.646 -4.991 -36.534 1.00 52.00 H new ATOM 901 N SER A 57 -2.161 -9.300 -29.277 1.00 35.00 N ATOM 902 CA SER A 57 -1.617 -8.821 -28.066 1.00 4.00 C ATOM 903 C SER A 57 -1.106 -7.430 -28.338 1.00 74.00 C ATOM 904 O SER A 57 -0.240 -7.249 -29.179 1.00 25.00 O ATOM 905 CB SER A 57 -0.462 -9.737 -27.632 1.00 33.00 C ATOM 906 OG SER A 57 0.072 -9.372 -26.367 1.00 34.00 O ATOM 0 H SER A 57 -1.463 -9.450 -30.005 1.00 35.00 H new ATOM 0 HA SER A 57 -2.360 -8.808 -27.269 1.00 4.00 H new ATOM 0 HB2 SER A 57 -0.815 -10.768 -27.591 1.00 33.00 H new ATOM 0 HB3 SER A 57 0.329 -9.700 -28.381 1.00 33.00 H new ATOM 0 HG SER A 57 0.802 -9.982 -26.132 1.00 34.00 H new ATOM 912 N LYS A 58 -1.696 -6.443 -27.720 1.00 32.00 N ATOM 913 CA LYS A 58 -1.206 -5.098 -27.872 1.00 33.00 C ATOM 914 C LYS A 58 -0.089 -4.867 -26.857 1.00 44.00 C ATOM 915 O LYS A 58 0.778 -4.016 -27.032 1.00 4.00 O ATOM 916 CB LYS A 58 -2.329 -4.093 -27.635 1.00 11.00 C ATOM 917 CG LYS A 58 -1.919 -2.659 -27.875 1.00 64.00 C ATOM 918 CD LYS A 58 -1.649 -2.401 -29.337 1.00 74.00 C ATOM 919 CE LYS A 58 -1.070 -1.006 -29.568 1.00 33.00 C ATOM 920 NZ LYS A 58 -1.938 0.077 -29.040 1.00 21.00 N ATOM 0 H LYS A 58 -2.509 -6.541 -27.112 1.00 32.00 H new ATOM 0 HA LYS A 58 -0.828 -4.962 -28.885 1.00 33.00 H new ATOM 0 HB2 LYS A 58 -3.167 -4.337 -28.288 1.00 11.00 H new ATOM 0 HB3 LYS A 58 -2.685 -4.194 -26.610 1.00 11.00 H new ATOM 0 HG2 LYS A 58 -2.706 -1.991 -27.525 1.00 64.00 H new ATOM 0 HG3 LYS A 58 -1.026 -2.432 -27.293 1.00 64.00 H new ATOM 0 HD2 LYS A 58 -0.954 -3.151 -29.716 1.00 74.00 H new ATOM 0 HD3 LYS A 58 -2.575 -2.509 -29.902 1.00 74.00 H new ATOM 0 HE2 LYS A 58 -0.090 -0.942 -29.095 1.00 33.00 H new ATOM 0 HE3 LYS A 58 -0.918 -0.854 -30.637 1.00 33.00 H new ATOM 0 HZ1 LYS A 58 -1.556 1.000 -29.328 1.00 21.00 H new ATOM 0 HZ2 LYS A 58 -2.900 -0.033 -29.419 1.00 21.00 H new ATOM 0 HZ3 LYS A 58 -1.967 0.023 -28.002 1.00 21.00 H new ATOM 934 N GLY A 59 -0.119 -5.655 -25.816 1.00 52.00 N ATOM 935 CA GLY A 59 0.806 -5.509 -24.734 1.00 41.00 C ATOM 936 C GLY A 59 0.047 -5.377 -23.453 1.00 41.00 C ATOM 937 O GLY A 59 0.229 -6.162 -22.530 1.00 33.00 O ATOM 0 H GLY A 59 -0.788 -6.416 -25.698 1.00 52.00 H new ATOM 0 HA2 GLY A 59 1.471 -6.372 -24.689 1.00 41.00 H new ATOM 0 HA3 GLY A 59 1.433 -4.631 -24.891 1.00 41.00 H new ATOM 941 N ASP A 60 -0.836 -4.393 -23.415 1.00 22.00 N ATOM 942 CA ASP A 60 -1.713 -4.178 -22.264 1.00 14.00 C ATOM 943 C ASP A 60 -3.078 -4.736 -22.573 1.00 11.00 C ATOM 944 O ASP A 60 -3.943 -4.830 -21.706 1.00 21.00 O ATOM 945 CB ASP A 60 -1.869 -2.687 -21.920 1.00 14.00 C ATOM 946 CG ASP A 60 -0.609 -2.019 -21.443 1.00 64.00 C ATOM 947 OD1 ASP A 60 -0.276 -2.121 -20.241 1.00 54.00 O ATOM 948 OD2 ASP A 60 0.051 -1.330 -22.251 1.00 10.00 O ATOM 0 H ASP A 60 -0.969 -3.723 -24.172 1.00 22.00 H new ATOM 0 HA ASP A 60 -1.259 -4.681 -21.410 1.00 14.00 H new ATOM 0 HB2 ASP A 60 -2.232 -2.160 -22.802 1.00 14.00 H new ATOM 0 HB3 ASP A 60 -2.633 -2.583 -21.150 1.00 14.00 H new ATOM 953 N GLU A 61 -3.274 -5.103 -23.812 1.00 73.00 N ATOM 954 CA GLU A 61 -4.528 -5.620 -24.264 1.00 0.00 C ATOM 955 C GLU A 61 -4.300 -6.942 -24.864 1.00 10.00 C ATOM 956 O GLU A 61 -3.280 -7.161 -25.528 1.00 42.00 O ATOM 957 CB GLU A 61 -5.160 -4.730 -25.327 1.00 41.00 C ATOM 958 CG GLU A 61 -5.533 -3.367 -24.854 1.00 24.00 C ATOM 959 CD GLU A 61 -5.980 -2.470 -25.977 1.00 4.00 C ATOM 960 OE1 GLU A 61 -6.875 -2.854 -26.768 1.00 32.00 O ATOM 961 OE2 GLU A 61 -5.410 -1.371 -26.116 1.00 51.00 O ATOM 0 H GLU A 61 -2.559 -5.049 -24.537 1.00 73.00 H new ATOM 0 HA GLU A 61 -5.199 -5.670 -23.406 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.465 -4.633 -26.161 1.00 41.00 H new ATOM 0 HB3 GLU A 61 -6.053 -5.224 -25.712 1.00 41.00 H new ATOM 0 HG2 GLU A 61 -6.332 -3.448 -24.117 1.00 24.00 H new ATOM 0 HG3 GLU A 61 -4.679 -2.915 -24.350 1.00 24.00 H new ATOM 968 N ALA A 62 -5.202 -7.807 -24.632 1.00 25.00 N ATOM 969 CA ALA A 62 -5.190 -9.072 -25.227 1.00 31.00 C ATOM 970 C ALA A 62 -6.566 -9.294 -25.794 1.00 75.00 C ATOM 971 O ALA A 62 -7.574 -9.116 -25.104 1.00 33.00 O ATOM 972 CB ALA A 62 -4.809 -10.145 -24.231 1.00 60.00 C ATOM 0 H ALA A 62 -5.990 -7.648 -24.005 1.00 25.00 H new ATOM 0 HA ALA A 62 -4.441 -9.126 -26.017 1.00 31.00 H new ATOM 0 HB1 ALA A 62 -4.809 -11.117 -24.725 1.00 60.00 H new ATOM 0 HB2 ALA A 62 -3.814 -9.938 -23.836 1.00 60.00 H new ATOM 0 HB3 ALA A 62 -5.529 -10.154 -23.413 1.00 60.00 H new ATOM 978 N THR A 63 -6.619 -9.550 -27.034 1.00 0.00 N ATOM 979 CA THR A 63 -7.867 -9.750 -27.722 1.00 42.00 C ATOM 980 C THR A 63 -7.756 -10.948 -28.659 1.00 25.00 C ATOM 981 O THR A 63 -6.738 -11.137 -29.287 1.00 34.00 O ATOM 982 CB THR A 63 -8.213 -8.450 -28.500 1.00 51.00 C ATOM 983 OG1 THR A 63 -8.343 -7.372 -27.544 1.00 45.00 O ATOM 984 CG2 THR A 63 -9.502 -8.580 -29.315 1.00 62.00 C ATOM 0 H THR A 63 -5.796 -9.633 -27.630 1.00 0.00 H new ATOM 0 HA THR A 63 -8.667 -9.962 -27.012 1.00 42.00 H new ATOM 0 HB THR A 63 -7.411 -8.251 -29.211 1.00 51.00 H new ATOM 0 HG1 THR A 63 -8.560 -6.541 -28.016 1.00 45.00 H new ATOM 0 HG21 THR A 63 -9.697 -7.644 -29.839 1.00 62.00 H new ATOM 0 HG22 THR A 63 -9.394 -9.386 -30.041 1.00 62.00 H new ATOM 0 HG23 THR A 63 -10.334 -8.802 -28.647 1.00 62.00 H new ATOM 992 N VAL A 64 -8.778 -11.769 -28.710 1.00 14.00 N ATOM 993 CA VAL A 64 -8.785 -12.901 -29.580 1.00 72.00 C ATOM 994 C VAL A 64 -10.136 -13.030 -30.221 1.00 71.00 C ATOM 995 O VAL A 64 -11.151 -13.434 -29.604 1.00 13.00 O ATOM 996 CB VAL A 64 -8.228 -14.201 -28.941 1.00 45.00 C ATOM 997 CG1 VAL A 64 -8.750 -14.423 -27.559 1.00 41.00 C ATOM 998 CG2 VAL A 64 -8.469 -15.411 -29.816 1.00 64.00 C ATOM 0 H VAL A 64 -9.622 -11.664 -28.147 1.00 14.00 H new ATOM 0 HA VAL A 64 -8.064 -12.725 -30.378 1.00 72.00 H new ATOM 0 HB VAL A 64 -7.150 -14.063 -28.860 1.00 45.00 H new ATOM 0 HG11 VAL A 64 -8.331 -15.345 -27.156 1.00 41.00 H new ATOM 0 HG12 VAL A 64 -8.464 -13.585 -26.923 1.00 41.00 H new ATOM 0 HG13 VAL A 64 -9.837 -14.501 -27.589 1.00 41.00 H new ATOM 0 HG21 VAL A 64 -8.063 -16.298 -29.330 1.00 64.00 H new ATOM 0 HG22 VAL A 64 -9.540 -15.540 -29.971 1.00 64.00 H new ATOM 0 HG23 VAL A 64 -7.978 -15.268 -30.778 1.00 64.00 H new ATOM 1008 N TYR A 65 -10.129 -12.635 -31.439 1.00 12.00 N ATOM 1009 CA TYR A 65 -11.288 -12.392 -32.220 1.00 73.00 C ATOM 1010 C TYR A 65 -11.059 -12.969 -33.589 1.00 74.00 C ATOM 1011 O TYR A 65 -10.252 -12.441 -34.357 1.00 52.00 O ATOM 1012 CB TYR A 65 -11.340 -10.865 -32.348 1.00 23.00 C ATOM 1013 CG TYR A 65 -12.562 -10.196 -32.957 1.00 63.00 C ATOM 1014 CD1 TYR A 65 -13.048 -10.534 -34.215 1.00 24.00 C ATOM 1015 CD2 TYR A 65 -13.208 -9.179 -32.262 1.00 25.00 C ATOM 1016 CE1 TYR A 65 -14.142 -9.890 -34.752 1.00 74.00 C ATOM 1017 CE2 TYR A 65 -14.302 -8.535 -32.791 1.00 14.00 C ATOM 1018 CZ TYR A 65 -14.765 -8.894 -34.034 1.00 34.00 C ATOM 1019 OH TYR A 65 -15.859 -8.255 -34.557 1.00 61.00 O ATOM 0 H TYR A 65 -9.263 -12.462 -31.950 1.00 12.00 H new ATOM 0 HA TYR A 65 -12.194 -12.819 -31.790 1.00 73.00 H new ATOM 0 HB2 TYR A 65 -11.208 -10.451 -31.348 1.00 23.00 H new ATOM 0 HB3 TYR A 65 -10.475 -10.559 -32.937 1.00 23.00 H new ATOM 0 HD1 TYR A 65 -12.560 -11.314 -34.781 1.00 24.00 H new ATOM 0 HD2 TYR A 65 -12.843 -8.889 -31.288 1.00 25.00 H new ATOM 0 HE1 TYR A 65 -14.508 -10.165 -35.730 1.00 74.00 H new ATOM 0 HE2 TYR A 65 -14.794 -7.752 -32.233 1.00 14.00 H new ATOM 0 HH TYR A 65 -16.178 -7.580 -33.922 1.00 61.00 H new ATOM 1029 N LYS A 66 -11.663 -14.067 -33.877 1.00 72.00 N ATOM 1030 CA LYS A 66 -11.685 -14.501 -35.190 1.00 54.00 C ATOM 1031 C LYS A 66 -12.945 -13.908 -35.746 1.00 34.00 C ATOM 1032 O LYS A 66 -13.890 -13.638 -34.999 1.00 45.00 O ATOM 1033 CB LYS A 66 -11.776 -16.022 -35.322 1.00 33.00 C ATOM 1034 CG LYS A 66 -11.403 -16.488 -36.723 1.00 22.00 C ATOM 1035 CD LYS A 66 -12.159 -17.720 -37.169 1.00 30.00 C ATOM 1036 CE LYS A 66 -11.738 -18.112 -38.580 1.00 2.00 C ATOM 1037 NZ LYS A 66 -12.634 -19.119 -39.167 1.00 3.00 N ATOM 0 H LYS A 66 -12.143 -14.668 -33.207 1.00 72.00 H new ATOM 0 HA LYS A 66 -10.768 -14.205 -35.700 1.00 54.00 H new ATOM 0 HB2 LYS A 66 -11.114 -16.491 -34.594 1.00 33.00 H new ATOM 0 HB3 LYS A 66 -12.789 -16.348 -35.088 1.00 33.00 H new ATOM 0 HG2 LYS A 66 -11.592 -15.679 -37.429 1.00 22.00 H new ATOM 0 HG3 LYS A 66 -10.333 -16.696 -36.756 1.00 22.00 H new ATOM 0 HD2 LYS A 66 -11.965 -18.543 -36.482 1.00 30.00 H new ATOM 0 HD3 LYS A 66 -13.232 -17.528 -37.142 1.00 30.00 H new ATOM 0 HE2 LYS A 66 -11.726 -17.225 -39.213 1.00 2.00 H new ATOM 0 HE3 LYS A 66 -10.720 -18.502 -38.559 1.00 2.00 H new ATOM 0 HZ1 LYS A 66 -12.143 -19.611 -39.941 1.00 3.00 H new ATOM 0 HZ2 LYS A 66 -12.908 -19.807 -38.437 1.00 3.00 H new ATOM 0 HZ3 LYS A 66 -13.485 -18.652 -39.539 1.00 3.00 H new ATOM 1051 N ARG A 67 -12.956 -13.740 -37.006 1.00 44.00 N ATOM 1052 CA ARG A 67 -14.088 -13.212 -37.775 1.00 73.00 C ATOM 1053 C ARG A 67 -15.397 -13.987 -37.478 1.00 70.00 C ATOM 1054 O ARG A 67 -16.488 -13.434 -37.551 1.00 64.00 O ATOM 1055 CB ARG A 67 -13.742 -13.298 -39.268 1.00 24.00 C ATOM 1056 CG ARG A 67 -14.787 -12.744 -40.213 1.00 43.00 C ATOM 1057 CD ARG A 67 -15.046 -11.281 -39.946 1.00 14.00 C ATOM 1058 NE ARG A 67 -15.994 -10.713 -40.912 1.00 43.00 N ATOM 1059 CZ ARG A 67 -16.255 -9.404 -41.085 1.00 41.00 C ATOM 1060 NH1 ARG A 67 -15.580 -8.479 -40.400 1.00 50.00 N ATOM 1061 NH2 ARG A 67 -17.180 -9.029 -41.957 1.00 61.00 N ATOM 0 H ARG A 67 -12.152 -13.968 -37.592 1.00 44.00 H new ATOM 0 HA ARG A 67 -14.261 -12.176 -37.485 1.00 73.00 H new ATOM 0 HB2 ARG A 67 -12.806 -12.766 -39.437 1.00 24.00 H new ATOM 0 HB3 ARG A 67 -13.565 -14.343 -39.522 1.00 24.00 H new ATOM 0 HG2 ARG A 67 -14.455 -12.875 -41.243 1.00 43.00 H new ATOM 0 HG3 ARG A 67 -15.715 -13.306 -40.103 1.00 43.00 H new ATOM 0 HD2 ARG A 67 -15.438 -11.159 -38.936 1.00 14.00 H new ATOM 0 HD3 ARG A 67 -14.106 -10.731 -39.992 1.00 14.00 H new ATOM 0 HE ARG A 67 -16.501 -11.370 -41.506 1.00 43.00 H new ATOM 0 HH11 ARG A 67 -14.858 -8.761 -39.737 1.00 50.00 H new ATOM 0 HH12 ARG A 67 -15.786 -7.490 -40.539 1.00 50.00 H new ATOM 0 HH21 ARG A 67 -17.690 -9.731 -42.493 1.00 61.00 H new ATOM 0 HH22 ARG A 67 -17.382 -8.038 -42.092 1.00 61.00 H new ATOM 1075 N ASP A 68 -15.254 -15.237 -37.097 1.00 42.00 N ATOM 1076 CA ASP A 68 -16.387 -16.115 -36.814 1.00 11.00 C ATOM 1077 C ASP A 68 -16.614 -16.233 -35.349 1.00 20.00 C ATOM 1078 O ASP A 68 -17.730 -16.476 -34.900 1.00 71.00 O ATOM 1079 CB ASP A 68 -16.160 -17.547 -37.330 1.00 52.00 C ATOM 1080 CG ASP A 68 -16.057 -17.685 -38.813 1.00 22.00 C ATOM 1081 OD1 ASP A 68 -17.097 -17.844 -39.477 1.00 20.00 O ATOM 1082 OD2 ASP A 68 -14.926 -17.698 -39.338 1.00 31.00 O ATOM 0 H ASP A 68 -14.346 -15.684 -36.972 1.00 42.00 H new ATOM 0 HA ASP A 68 -17.240 -15.662 -37.319 1.00 11.00 H new ATOM 0 HB2 ASP A 68 -15.246 -17.936 -36.882 1.00 52.00 H new ATOM 0 HB3 ASP A 68 -16.979 -18.175 -36.980 1.00 52.00 H new ATOM 1087 N ARG A 69 -15.580 -16.035 -34.587 1.00 60.00 N ATOM 1088 CA ARG A 69 -15.655 -16.361 -33.202 1.00 24.00 C ATOM 1089 C ARG A 69 -14.639 -15.604 -32.359 1.00 4.00 C ATOM 1090 O ARG A 69 -13.428 -15.800 -32.459 1.00 60.00 O ATOM 1091 CB ARG A 69 -15.522 -17.881 -33.013 1.00 15.00 C ATOM 1092 CG ARG A 69 -15.634 -18.394 -31.580 1.00 3.00 C ATOM 1093 CD ARG A 69 -17.001 -18.173 -30.970 1.00 32.00 C ATOM 1094 NE ARG A 69 -17.109 -18.877 -29.683 1.00 15.00 N ATOM 1095 CZ ARG A 69 -17.675 -18.396 -28.572 1.00 64.00 C ATOM 1096 NH1 ARG A 69 -18.151 -17.152 -28.541 1.00 72.00 N ATOM 1097 NH2 ARG A 69 -17.743 -19.160 -27.485 1.00 15.00 N ATOM 0 H ARG A 69 -14.687 -15.654 -34.899 1.00 60.00 H new ATOM 0 HA ARG A 69 -16.634 -16.043 -32.844 1.00 24.00 H new ATOM 0 HB2 ARG A 69 -16.290 -18.369 -33.613 1.00 15.00 H new ATOM 0 HB3 ARG A 69 -14.558 -18.193 -33.414 1.00 15.00 H new ATOM 0 HG2 ARG A 69 -15.405 -19.459 -31.564 1.00 3.00 H new ATOM 0 HG3 ARG A 69 -14.884 -17.897 -30.964 1.00 3.00 H new ATOM 0 HD2 ARG A 69 -17.173 -17.107 -30.824 1.00 32.00 H new ATOM 0 HD3 ARG A 69 -17.773 -18.529 -31.652 1.00 32.00 H new ATOM 0 HE ARG A 69 -16.716 -19.817 -29.634 1.00 15.00 H new ATOM 0 HH11 ARG A 69 -18.085 -16.560 -29.369 1.00 72.00 H new ATOM 0 HH12 ARG A 69 -18.582 -16.792 -27.689 1.00 72.00 H new ATOM 0 HH21 ARG A 69 -17.364 -20.107 -27.503 1.00 15.00 H new ATOM 0 HH22 ARG A 69 -18.174 -18.799 -26.634 1.00 15.00 H new ATOM 1111 N ILE A 70 -15.150 -14.702 -31.609 1.00 73.00 N ATOM 1112 CA ILE A 70 -14.438 -13.979 -30.610 1.00 13.00 C ATOM 1113 C ILE A 70 -14.626 -14.732 -29.347 1.00 71.00 C ATOM 1114 O ILE A 70 -15.724 -15.225 -29.067 1.00 22.00 O ATOM 1115 CB ILE A 70 -15.031 -12.562 -30.352 1.00 13.00 C ATOM 1116 CG1 ILE A 70 -15.190 -11.736 -31.609 1.00 22.00 C ATOM 1117 CG2 ILE A 70 -14.189 -11.781 -29.340 1.00 53.00 C ATOM 1118 CD1 ILE A 70 -16.325 -12.109 -32.558 1.00 41.00 C ATOM 0 H ILE A 70 -16.131 -14.429 -31.675 1.00 73.00 H new ATOM 0 HA ILE A 70 -13.403 -13.870 -30.935 1.00 13.00 H new ATOM 0 HB ILE A 70 -16.027 -12.739 -29.947 1.00 13.00 H new ATOM 0 HG12 ILE A 70 -15.327 -10.696 -31.313 1.00 22.00 H new ATOM 0 HG13 ILE A 70 -14.255 -11.788 -32.166 1.00 22.00 H new ATOM 0 HG21 ILE A 70 -14.630 -10.797 -29.182 1.00 53.00 H new ATOM 0 HG22 ILE A 70 -14.162 -12.322 -28.394 1.00 53.00 H new ATOM 0 HG23 ILE A 70 -13.174 -11.667 -29.722 1.00 53.00 H new ATOM 0 HD11 ILE A 70 -16.320 -11.435 -33.414 1.00 41.00 H new ATOM 0 HD12 ILE A 70 -16.189 -13.134 -32.903 1.00 41.00 H new ATOM 0 HD13 ILE A 70 -17.278 -12.025 -32.036 1.00 41.00 H new ATOM 1130 N VAL A 71 -13.602 -14.833 -28.615 1.00 74.00 N ATOM 1131 CA VAL A 71 -13.659 -15.479 -27.334 1.00 62.00 C ATOM 1132 C VAL A 71 -13.263 -14.495 -26.258 1.00 0.00 C ATOM 1133 O VAL A 71 -13.828 -14.484 -25.179 1.00 40.00 O ATOM 1134 CB VAL A 71 -12.830 -16.801 -27.300 1.00 12.00 C ATOM 1135 CG1 VAL A 71 -13.510 -17.865 -28.148 1.00 74.00 C ATOM 1136 CG2 VAL A 71 -11.433 -16.576 -27.824 1.00 12.00 C ATOM 0 H VAL A 71 -12.681 -14.475 -28.868 1.00 74.00 H new ATOM 0 HA VAL A 71 -14.685 -15.792 -27.139 1.00 62.00 H new ATOM 0 HB VAL A 71 -12.771 -17.133 -26.263 1.00 12.00 H new ATOM 0 HG11 VAL A 71 -12.924 -18.784 -28.118 1.00 74.00 H new ATOM 0 HG12 VAL A 71 -14.509 -18.059 -27.757 1.00 74.00 H new ATOM 0 HG13 VAL A 71 -13.585 -17.516 -29.178 1.00 74.00 H new ATOM 0 HG21 VAL A 71 -10.876 -17.512 -27.790 1.00 12.00 H new ATOM 0 HG22 VAL A 71 -11.483 -16.221 -28.853 1.00 12.00 H new ATOM 0 HG23 VAL A 71 -10.929 -15.831 -27.208 1.00 12.00 H new ATOM 1146 N LEU A 72 -12.405 -13.565 -26.612 1.00 42.00 N ATOM 1147 CA LEU A 72 -11.938 -12.556 -25.671 1.00 71.00 C ATOM 1148 C LEU A 72 -11.794 -11.251 -26.367 1.00 33.00 C ATOM 1149 O LEU A 72 -11.170 -11.190 -27.428 1.00 10.00 O ATOM 1150 CB LEU A 72 -10.574 -12.873 -25.051 1.00 0.00 C ATOM 1151 CG LEU A 72 -10.509 -13.777 -23.856 1.00 11.00 C ATOM 1152 CD1 LEU A 72 -11.548 -13.410 -22.810 1.00 51.00 C ATOM 1153 CD2 LEU A 72 -10.496 -15.240 -24.256 1.00 43.00 C ATOM 0 H LEU A 72 -12.011 -13.481 -27.549 1.00 42.00 H new ATOM 0 HA LEU A 72 -12.684 -12.532 -24.877 1.00 71.00 H new ATOM 0 HB2 LEU A 72 -9.953 -13.314 -25.831 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.112 -11.926 -24.772 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.552 -13.617 -23.360 1.00 11.00 H new ATOM 0 HD11 LEU A 72 -11.466 -14.090 -21.962 1.00 51.00 H new ATOM 0 HD12 LEU A 72 -11.380 -12.387 -22.473 1.00 51.00 H new ATOM 0 HD13 LEU A 72 -12.545 -13.490 -23.244 1.00 51.00 H new ATOM 0 HD21 LEU A 72 -10.448 -15.861 -23.362 1.00 43.00 H new ATOM 0 HD22 LEU A 72 -11.404 -15.473 -24.812 1.00 43.00 H new ATOM 0 HD23 LEU A 72 -9.626 -15.438 -24.882 1.00 43.00 H new ATOM 1165 N ASN A 73 -12.353 -10.214 -25.821 1.00 12.00 N ATOM 1166 CA ASN A 73 -12.166 -8.898 -26.413 1.00 33.00 C ATOM 1167 C ASN A 73 -11.906 -7.884 -25.343 1.00 24.00 C ATOM 1168 O ASN A 73 -11.806 -6.691 -25.595 1.00 4.00 O ATOM 1169 CB ASN A 73 -13.350 -8.484 -27.291 1.00 64.00 C ATOM 1170 CG ASN A 73 -14.615 -8.139 -26.494 1.00 41.00 C ATOM 1171 OD1 ASN A 73 -14.827 -6.984 -26.109 1.00 74.00 O ATOM 1172 ND2 ASN A 73 -15.451 -9.112 -26.245 1.00 12.00 N ATOM 0 H ASN A 73 -12.934 -10.237 -24.983 1.00 12.00 H new ATOM 0 HA ASN A 73 -11.296 -8.950 -27.068 1.00 33.00 H new ATOM 0 HB2 ASN A 73 -13.062 -7.621 -27.891 1.00 64.00 H new ATOM 0 HB3 ASN A 73 -13.577 -9.293 -27.985 1.00 64.00 H new ATOM 0 HD21 ASN A 73 -16.306 -8.928 -25.720 1.00 12.00 H new ATOM 0 HD22 ASN A 73 -15.249 -10.055 -26.576 1.00 12.00 H new ATOM 1179 N ASN A 74 -11.711 -8.374 -24.170 1.00 31.00 N ATOM 1180 CA ASN A 74 -11.518 -7.537 -23.031 1.00 50.00 C ATOM 1181 C ASN A 74 -10.616 -8.239 -22.049 1.00 13.00 C ATOM 1182 O ASN A 74 -11.059 -8.954 -21.131 1.00 71.00 O ATOM 1183 CB ASN A 74 -12.848 -7.131 -22.375 1.00 24.00 C ATOM 1184 CG ASN A 74 -12.702 -6.079 -21.267 1.00 72.00 C ATOM 1185 OD1 ASN A 74 -11.654 -5.931 -20.645 1.00 53.00 O ATOM 1186 ND2 ASN A 74 -13.763 -5.384 -20.982 1.00 72.00 N ATOM 0 H ASN A 74 -11.680 -9.373 -23.968 1.00 31.00 H new ATOM 0 HA ASN A 74 -11.046 -6.611 -23.360 1.00 50.00 H new ATOM 0 HB2 ASN A 74 -13.517 -6.744 -23.143 1.00 24.00 H new ATOM 0 HB3 ASN A 74 -13.322 -8.020 -21.958 1.00 24.00 H new ATOM 0 HD21 ASN A 74 -13.736 -4.698 -20.228 1.00 72.00 H new ATOM 0 HD22 ASN A 74 -14.623 -5.525 -21.513 1.00 72.00 H new ATOM 1193 N CYS A 75 -9.376 -8.128 -22.329 1.00 42.00 N ATOM 1194 CA CYS A 75 -8.336 -8.581 -21.477 1.00 2.00 C ATOM 1195 C CYS A 75 -7.388 -7.452 -21.359 1.00 11.00 C ATOM 1196 O CYS A 75 -6.895 -6.925 -22.380 1.00 54.00 O ATOM 1197 CB CYS A 75 -7.624 -9.823 -22.010 1.00 33.00 C ATOM 1198 SG CYS A 75 -8.608 -11.348 -22.014 1.00 22.00 S ATOM 0 H CYS A 75 -9.038 -7.702 -23.192 1.00 42.00 H new ATOM 0 HA CYS A 75 -8.750 -8.880 -20.514 1.00 2.00 H new ATOM 0 HB2 CYS A 75 -7.294 -9.622 -23.029 1.00 33.00 H new ATOM 0 HB3 CYS A 75 -6.728 -9.991 -21.412 1.00 33.00 H new ATOM 1203 N GLN A 76 -7.143 -7.069 -20.173 1.00 30.00 N ATOM 1204 CA GLN A 76 -6.361 -5.946 -19.875 1.00 52.00 C ATOM 1205 C GLN A 76 -5.366 -6.400 -18.914 1.00 42.00 C ATOM 1206 O GLN A 76 -5.644 -6.633 -17.731 1.00 73.00 O ATOM 1207 CB GLN A 76 -7.224 -4.800 -19.390 1.00 32.00 C ATOM 1208 CG GLN A 76 -8.055 -4.220 -20.522 1.00 50.00 C ATOM 1209 CD GLN A 76 -9.063 -3.200 -20.061 1.00 15.00 C ATOM 1210 OE1 GLN A 76 -8.763 -2.008 -19.959 1.00 25.00 O ATOM 1211 NE2 GLN A 76 -10.266 -3.632 -19.821 1.00 21.00 N ATOM 0 H GLN A 76 -7.498 -7.551 -19.347 1.00 30.00 H new ATOM 0 HA GLN A 76 -5.854 -5.539 -20.750 1.00 52.00 H new ATOM 0 HB2 GLN A 76 -7.882 -5.149 -18.594 1.00 32.00 H new ATOM 0 HB3 GLN A 76 -6.592 -4.021 -18.963 1.00 32.00 H new ATOM 0 HG2 GLN A 76 -7.390 -3.759 -21.252 1.00 50.00 H new ATOM 0 HG3 GLN A 76 -8.576 -5.030 -21.033 1.00 50.00 H new ATOM 0 HE21 GLN A 76 -10.480 -4.625 -19.915 1.00 21.00 H new ATOM 0 HE22 GLN A 76 -10.996 -2.978 -19.539 1.00 21.00 H new ATOM 1220 N LEU A 77 -4.224 -6.569 -19.439 1.00 2.00 N ATOM 1221 CA LEU A 77 -3.191 -7.277 -18.792 1.00 41.00 C ATOM 1222 C LEU A 77 -2.661 -6.562 -17.569 1.00 42.00 C ATOM 1223 O LEU A 77 -2.351 -5.374 -17.613 1.00 34.00 O ATOM 1224 CB LEU A 77 -2.085 -7.613 -19.788 1.00 54.00 C ATOM 1225 CG LEU A 77 -0.897 -8.411 -19.262 1.00 24.00 C ATOM 1226 CD1 LEU A 77 -1.358 -9.720 -18.648 1.00 21.00 C ATOM 1227 CD2 LEU A 77 0.080 -8.670 -20.391 1.00 62.00 C ATOM 0 H LEU A 77 -3.968 -6.210 -20.359 1.00 2.00 H new ATOM 0 HA LEU A 77 -3.614 -8.209 -18.418 1.00 41.00 H new ATOM 0 HB2 LEU A 77 -2.530 -8.171 -20.612 1.00 54.00 H new ATOM 0 HB3 LEU A 77 -1.708 -6.678 -20.203 1.00 54.00 H new ATOM 0 HG LEU A 77 -0.400 -7.832 -18.484 1.00 24.00 H new ATOM 0 HD11 LEU A 77 -0.494 -10.273 -18.279 1.00 21.00 H new ATOM 0 HD12 LEU A 77 -2.037 -9.515 -17.821 1.00 21.00 H new ATOM 0 HD13 LEU A 77 -1.874 -10.314 -19.402 1.00 21.00 H new ATOM 0 HD21 LEU A 77 0.929 -9.240 -20.014 1.00 62.00 H new ATOM 0 HD22 LEU A 77 -0.416 -9.236 -21.179 1.00 62.00 H new ATOM 0 HD23 LEU A 77 0.431 -7.720 -20.793 1.00 62.00 H new ATOM 1239 N GLN A 78 -2.610 -7.294 -16.479 1.00 13.00 N ATOM 1240 CA GLN A 78 -2.060 -6.796 -15.241 1.00 15.00 C ATOM 1241 C GLN A 78 -0.543 -6.777 -15.367 1.00 65.00 C ATOM 1242 O GLN A 78 0.086 -5.730 -15.292 1.00 31.00 O ATOM 1243 CB GLN A 78 -2.474 -7.708 -14.079 1.00 23.00 C ATOM 1244 CG GLN A 78 -3.977 -7.878 -13.905 1.00 51.00 C ATOM 1245 CD GLN A 78 -4.684 -6.582 -13.579 1.00 24.00 C ATOM 1246 OE1 GLN A 78 -5.120 -5.857 -14.467 1.00 44.00 O ATOM 1247 NE2 GLN A 78 -4.796 -6.286 -12.317 1.00 52.00 N ATOM 0 H GLN A 78 -2.950 -8.254 -16.427 1.00 13.00 H new ATOM 0 HA GLN A 78 -2.434 -5.792 -15.043 1.00 15.00 H new ATOM 0 HB2 GLN A 78 -2.026 -8.690 -14.229 1.00 23.00 H new ATOM 0 HB3 GLN A 78 -2.059 -7.307 -13.155 1.00 23.00 H new ATOM 0 HG2 GLN A 78 -4.398 -8.295 -14.820 1.00 51.00 H new ATOM 0 HG3 GLN A 78 -4.166 -8.599 -13.109 1.00 51.00 H new ATOM 0 HE21 GLN A 78 -4.419 -6.917 -11.610 1.00 52.00 H new ATOM 0 HE22 GLN A 78 -5.261 -5.423 -12.035 1.00 52.00 H new ATOM 1256 N ASN A 79 0.013 -7.951 -15.608 1.00 45.00 N ATOM 1257 CA ASN A 79 1.429 -8.176 -15.783 1.00 72.00 C ATOM 1258 C ASN A 79 1.531 -9.641 -16.084 1.00 12.00 C ATOM 1259 O ASN A 79 0.982 -10.438 -15.338 1.00 41.00 O ATOM 1260 CB ASN A 79 2.204 -7.856 -14.487 1.00 12.00 C ATOM 1261 CG ASN A 79 3.708 -8.030 -14.617 1.00 62.00 C ATOM 1262 OD1 ASN A 79 4.277 -7.868 -15.685 1.00 75.00 O ATOM 1263 ND2 ASN A 79 4.354 -8.377 -13.544 1.00 3.00 N ATOM 0 H ASN A 79 -0.536 -8.806 -15.690 1.00 45.00 H new ATOM 0 HA ASN A 79 1.851 -7.544 -16.565 1.00 72.00 H new ATOM 0 HB2 ASN A 79 1.990 -6.829 -14.190 1.00 12.00 H new ATOM 0 HB3 ASN A 79 1.840 -8.501 -13.688 1.00 12.00 H new ATOM 0 HD21 ASN A 79 5.363 -8.521 -13.580 1.00 3.00 H new ATOM 0 HD22 ASN A 79 3.852 -8.505 -12.665 1.00 3.00 H new ATOM 1270 N PRO A 80 2.155 -10.050 -17.187 1.00 14.00 N ATOM 1271 CA PRO A 80 2.183 -11.458 -17.551 1.00 24.00 C ATOM 1272 C PRO A 80 3.081 -12.303 -16.641 1.00 42.00 C ATOM 1273 O PRO A 80 2.921 -13.532 -16.519 1.00 13.00 O ATOM 1274 CB PRO A 80 2.654 -11.473 -18.996 1.00 24.00 C ATOM 1275 CG PRO A 80 3.429 -10.208 -19.157 1.00 43.00 C ATOM 1276 CD PRO A 80 2.853 -9.206 -18.177 1.00 53.00 C ATOM 0 HA PRO A 80 1.200 -11.914 -17.431 1.00 24.00 H new ATOM 0 HB2 PRO A 80 3.274 -12.346 -19.201 1.00 24.00 H new ATOM 0 HB3 PRO A 80 1.811 -11.511 -19.686 1.00 24.00 H new ATOM 0 HG2 PRO A 80 4.487 -10.377 -18.958 1.00 43.00 H new ATOM 0 HG3 PRO A 80 3.352 -9.836 -20.179 1.00 43.00 H new ATOM 0 HD2 PRO A 80 3.635 -8.606 -17.712 1.00 53.00 H new ATOM 0 HD3 PRO A 80 2.169 -8.514 -18.667 1.00 53.00 H new ATOM 1284 N GLN A 81 3.999 -11.635 -15.982 1.00 62.00 N ATOM 1285 CA GLN A 81 4.871 -12.248 -15.057 1.00 74.00 C ATOM 1286 C GLN A 81 4.162 -12.324 -13.699 1.00 25.00 C ATOM 1287 O GLN A 81 4.615 -13.007 -12.774 1.00 61.00 O ATOM 1288 CB GLN A 81 6.121 -11.401 -14.942 1.00 31.00 C ATOM 1289 CG GLN A 81 7.159 -12.003 -14.060 1.00 1.00 C ATOM 1290 CD GLN A 81 8.265 -11.047 -13.735 1.00 1.00 C ATOM 1291 OE1 GLN A 81 8.188 -10.319 -12.742 1.00 40.00 O ATOM 1292 NE2 GLN A 81 9.290 -11.036 -14.526 1.00 24.00 N ATOM 0 H GLN A 81 4.149 -10.632 -16.089 1.00 62.00 H new ATOM 0 HA GLN A 81 5.142 -13.252 -15.382 1.00 74.00 H new ATOM 0 HB2 GLN A 81 6.542 -11.249 -15.936 1.00 31.00 H new ATOM 0 HB3 GLN A 81 5.852 -10.418 -14.556 1.00 31.00 H new ATOM 0 HG2 GLN A 81 6.692 -12.341 -13.135 1.00 1.00 H new ATOM 0 HG3 GLN A 81 7.577 -12.884 -14.547 1.00 1.00 H new ATOM 0 HE21 GLN A 81 9.315 -11.654 -15.337 1.00 24.00 H new ATOM 0 HE22 GLN A 81 10.073 -10.409 -14.338 1.00 24.00 H new ATOM 1301 N ARG A 82 3.021 -11.645 -13.644 1.00 34.00 N ATOM 1302 CA ARG A 82 2.180 -11.466 -12.483 1.00 30.00 C ATOM 1303 C ARG A 82 2.839 -10.540 -11.489 1.00 71.00 C ATOM 1304 O ARG A 82 2.547 -9.329 -11.522 1.00 1.00 O ATOM 1305 CB ARG A 82 1.784 -12.786 -11.865 1.00 15.00 C ATOM 1306 CG ARG A 82 0.975 -13.681 -12.790 1.00 71.00 C ATOM 1307 CD ARG A 82 0.696 -15.009 -12.131 1.00 52.00 C ATOM 1308 NE ARG A 82 1.940 -15.703 -11.758 1.00 1.00 N ATOM 1309 CZ ARG A 82 2.159 -16.302 -10.577 1.00 24.00 C ATOM 1310 NH1 ARG A 82 1.226 -16.267 -9.618 1.00 52.00 N ATOM 1311 NH2 ARG A 82 3.316 -16.903 -10.345 1.00 45.00 N ATOM 1312 OXT ARG A 82 3.704 -10.984 -10.709 1.00 61.00 O ATOM 0 H ARG A 82 2.641 -11.178 -14.467 1.00 34.00 H new ATOM 0 HA ARG A 82 1.252 -10.994 -12.807 1.00 30.00 H new ATOM 0 HB2 ARG A 82 2.685 -13.317 -11.558 1.00 15.00 H new ATOM 0 HB3 ARG A 82 1.204 -12.594 -10.962 1.00 15.00 H new ATOM 0 HG2 ARG A 82 0.036 -13.192 -13.048 1.00 71.00 H new ATOM 0 HG3 ARG A 82 1.519 -13.838 -13.721 1.00 71.00 H new ATOM 0 HD2 ARG A 82 0.085 -14.853 -11.242 1.00 52.00 H new ATOM 0 HD3 ARG A 82 0.118 -15.637 -12.808 1.00 52.00 H new ATOM 0 HE ARG A 82 2.691 -15.731 -12.448 1.00 1.00 H new ATOM 0 HH11 ARG A 82 0.343 -15.783 -9.783 1.00 52.00 H new ATOM 0 HH12 ARG A 82 1.398 -16.724 -8.722 1.00 52.00 H new ATOM 0 HH21 ARG A 82 4.040 -16.910 -11.064 1.00 45.00 H new ATOM 0 HH22 ARG A 82 3.483 -17.358 -9.448 1.00 45.00 H new TER 1326 ARG A 82