USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 44 MET CE :methyl 171:sc= -5.63! (180deg=-5.02!) USER MOD Set 1.2: A 47 HIS : no HE2:sc= -1.09 X(o=-6.7,f=-6.8) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 63 ASN : amide:sc= -4.08! C(o=-4.1!,f=-3.7!) USER MOD Set 3.1: A 4 THR OG1 : rot 100:sc= 0.486 USER MOD Set 3.2: A 83 GLN :FLIP amide:sc= 0.455 F(o=0.068,f=0.94) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.146 (180deg=-0.905) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.325 (180deg=0.315) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= 0.615 (180deg=0.405) USER MOD Single : A 23 MET CE :methyl -111:sc= -2 (180deg=-5.4!) USER MOD Single : A 26 GLN : amide:sc= -1.04 K(o=-1,f=-5.5!) USER MOD Single : A 27 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -117:sc= -0.936 (180deg=-3.88!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00979 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.942 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.9 X(o=-0.9,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 48:sc= -0.659 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 70 SER OG : rot -34:sc= 0.641 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -1.34 F(o=-2.1,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.127 1.122 -3.956 1.00 12.44 N ATOM 2 CA MET A 1 2.137 1.971 -2.769 1.00 74.44 C ATOM 3 C MET A 1 2.777 3.321 -3.072 1.00 44.42 C ATOM 4 O MET A 1 3.050 3.644 -4.228 1.00 2.11 O ATOM 5 CB MET A 1 2.888 1.281 -1.629 1.00 60.32 C ATOM 6 CG MET A 1 2.479 -0.168 -1.421 1.00 33.33 C ATOM 7 SD MET A 1 0.778 -0.334 -0.846 1.00 13.21 S ATOM 8 CE MET A 1 0.022 -1.143 -2.254 1.00 31.13 C ATOM 0 H1 MET A 1 1.702 0.202 -3.721 1.00 12.44 H new ATOM 0 H2 MET A 1 1.570 1.580 -4.705 1.00 12.44 H new ATOM 0 H3 MET A 1 3.102 0.978 -4.288 1.00 12.44 H new ATOM 0 HA MET A 1 1.104 2.139 -2.464 1.00 74.44 H new ATOM 0 HB2 MET A 1 3.958 1.322 -1.832 1.00 60.32 H new ATOM 0 HB3 MET A 1 2.718 1.834 -0.705 1.00 60.32 H new ATOM 0 HG2 MET A 1 2.597 -0.713 -2.358 1.00 33.33 H new ATOM 0 HG3 MET A 1 3.150 -0.631 -0.697 1.00 33.33 H new ATOM 0 HE1 MET A 1 -0.894 -1.642 -1.938 1.00 31.13 H new ATOM 0 HE2 MET A 1 -0.214 -0.401 -3.017 1.00 31.13 H new ATOM 0 HE3 MET A 1 0.713 -1.879 -2.665 1.00 31.13 H new ATOM 18 N ALA A 2 3.014 4.107 -2.026 1.00 64.45 N ATOM 19 CA ALA A 2 3.624 5.421 -2.181 1.00 45.32 C ATOM 20 C ALA A 2 4.899 5.340 -3.014 1.00 42.52 C ATOM 21 O ALA A 2 5.314 6.322 -3.632 1.00 12.14 O ATOM 22 CB ALA A 2 3.920 6.030 -0.818 1.00 60.32 C ATOM 0 H ALA A 2 2.792 3.856 -1.063 1.00 64.45 H new ATOM 0 HA ALA A 2 2.917 6.062 -2.708 1.00 45.32 H new ATOM 0 HB1 ALA A 2 4.376 7.012 -0.949 1.00 60.32 H new ATOM 0 HB2 ALA A 2 2.992 6.133 -0.256 1.00 60.32 H new ATOM 0 HB3 ALA A 2 4.605 5.382 -0.271 1.00 60.32 H new ATOM 28 N THR A 3 5.519 4.164 -3.027 1.00 53.22 N ATOM 29 CA THR A 3 6.747 3.956 -3.783 1.00 24.23 C ATOM 30 C THR A 3 6.602 4.451 -5.217 1.00 13.21 C ATOM 31 O THR A 3 7.280 5.392 -5.633 1.00 33.45 O ATOM 32 CB THR A 3 7.149 2.469 -3.803 1.00 72.25 C ATOM 33 OG1 THR A 3 5.979 1.645 -3.745 1.00 61.22 O ATOM 34 CG2 THR A 3 8.066 2.139 -2.635 1.00 40.54 C ATOM 0 H THR A 3 5.190 3.341 -2.522 1.00 53.22 H new ATOM 0 HA THR A 3 7.527 4.529 -3.282 1.00 24.23 H new ATOM 0 HB THR A 3 7.686 2.273 -4.731 1.00 72.25 H new ATOM 0 HG1 THR A 3 6.243 0.701 -3.760 1.00 61.22 H new ATOM 0 HG21 THR A 3 8.336 1.084 -2.671 1.00 40.54 H new ATOM 0 HG22 THR A 3 8.969 2.747 -2.698 1.00 40.54 H new ATOM 0 HG23 THR A 3 7.551 2.350 -1.698 1.00 40.54 H new ATOM 42 N THR A 4 5.712 3.813 -5.971 1.00 51.21 N ATOM 43 CA THR A 4 5.477 4.189 -7.360 1.00 24.24 C ATOM 44 C THR A 4 4.352 5.211 -7.470 1.00 72.21 C ATOM 45 O THR A 4 4.235 5.915 -8.474 1.00 24.53 O ATOM 46 CB THR A 4 5.128 2.962 -8.222 1.00 72.53 C ATOM 47 OG1 THR A 4 4.787 3.377 -9.550 1.00 24.32 O ATOM 48 CG2 THR A 4 3.968 2.186 -7.615 1.00 64.12 C ATOM 0 H THR A 4 5.142 3.033 -5.643 1.00 51.21 H new ATOM 0 HA THR A 4 6.402 4.631 -7.729 1.00 24.24 H new ATOM 0 HB THR A 4 6.001 2.311 -8.258 1.00 72.53 H new ATOM 0 HG1 THR A 4 5.555 3.239 -10.143 1.00 24.32 H new ATOM 0 HG21 THR A 4 3.740 1.324 -8.241 1.00 64.12 H new ATOM 0 HG22 THR A 4 4.241 1.846 -6.616 1.00 64.12 H new ATOM 0 HG23 THR A 4 3.092 2.831 -7.552 1.00 64.12 H new ATOM 56 N TYR A 5 3.525 5.288 -6.433 1.00 63.10 N ATOM 57 CA TYR A 5 2.407 6.223 -6.415 1.00 2.53 C ATOM 58 C TYR A 5 2.886 7.639 -6.106 1.00 30.30 C ATOM 59 O TYR A 5 2.610 8.576 -6.854 1.00 72.43 O ATOM 60 CB TYR A 5 1.367 5.788 -5.381 1.00 24.02 C ATOM 61 CG TYR A 5 0.644 4.512 -5.750 1.00 2.44 C ATOM 62 CD1 TYR A 5 0.232 3.616 -4.771 1.00 3.44 C ATOM 63 CD2 TYR A 5 0.374 4.202 -7.077 1.00 14.54 C ATOM 64 CE1 TYR A 5 -0.428 2.449 -5.103 1.00 12.43 C ATOM 65 CE2 TYR A 5 -0.288 3.039 -7.418 1.00 25.41 C ATOM 66 CZ TYR A 5 -0.686 2.165 -6.428 1.00 12.25 C ATOM 67 OH TYR A 5 -1.344 1.004 -6.763 1.00 42.14 O ATOM 0 H TYR A 5 3.608 4.714 -5.594 1.00 63.10 H new ATOM 0 HA TYR A 5 1.949 6.221 -7.404 1.00 2.53 H new ATOM 0 HB2 TYR A 5 1.859 5.651 -4.418 1.00 24.02 H new ATOM 0 HB3 TYR A 5 0.636 6.587 -5.255 1.00 24.02 H new ATOM 0 HD1 TYR A 5 0.431 3.836 -3.733 1.00 3.44 H new ATOM 0 HD2 TYR A 5 0.687 4.882 -7.855 1.00 14.54 H new ATOM 0 HE1 TYR A 5 -0.740 1.763 -4.330 1.00 12.43 H new ATOM 0 HE2 TYR A 5 -0.493 2.815 -8.454 1.00 25.41 H new ATOM 0 HH TYR A 5 -1.448 0.956 -7.736 1.00 42.14 H new ATOM 77 N GLU A 6 3.606 7.784 -4.998 1.00 40.40 N ATOM 78 CA GLU A 6 4.124 9.085 -4.590 1.00 34.04 C ATOM 79 C GLU A 6 5.097 9.634 -5.629 1.00 15.20 C ATOM 80 O GLU A 6 5.361 10.835 -5.672 1.00 51.23 O ATOM 81 CB GLU A 6 4.819 8.978 -3.231 1.00 14.24 C ATOM 82 CG GLU A 6 4.999 10.316 -2.532 1.00 72.34 C ATOM 83 CD GLU A 6 6.180 10.323 -1.581 1.00 73.22 C ATOM 84 OE1 GLU A 6 6.732 9.235 -1.314 1.00 32.22 O ATOM 85 OE2 GLU A 6 6.551 11.415 -1.104 1.00 44.11 O ATOM 0 H GLU A 6 3.844 7.018 -4.368 1.00 40.40 H new ATOM 0 HA GLU A 6 3.282 9.773 -4.507 1.00 34.04 H new ATOM 0 HB2 GLU A 6 4.240 8.316 -2.587 1.00 14.24 H new ATOM 0 HB3 GLU A 6 5.796 8.515 -3.368 1.00 14.24 H new ATOM 0 HG2 GLU A 6 5.135 11.097 -3.280 1.00 72.34 H new ATOM 0 HG3 GLU A 6 4.091 10.558 -1.980 1.00 72.34 H new ATOM 92 N GLU A 7 5.626 8.745 -6.464 1.00 11.14 N ATOM 93 CA GLU A 7 6.571 9.141 -7.502 1.00 35.25 C ATOM 94 C GLU A 7 5.838 9.569 -8.770 1.00 14.14 C ATOM 95 O GLU A 7 6.252 10.505 -9.454 1.00 1.25 O ATOM 96 CB GLU A 7 7.528 7.989 -7.817 1.00 13.42 C ATOM 97 CG GLU A 7 8.854 8.444 -8.402 1.00 63.32 C ATOM 98 CD GLU A 7 9.768 7.283 -8.746 1.00 40.52 C ATOM 99 OE1 GLU A 7 10.684 6.994 -7.948 1.00 32.51 O ATOM 100 OE2 GLU A 7 9.568 6.666 -9.813 1.00 30.12 O ATOM 0 H GLU A 7 5.417 7.747 -6.442 1.00 11.14 H new ATOM 0 HA GLU A 7 7.145 9.990 -7.131 1.00 35.25 H new ATOM 0 HB2 GLU A 7 7.718 7.425 -6.904 1.00 13.42 H new ATOM 0 HB3 GLU A 7 7.045 7.308 -8.518 1.00 13.42 H new ATOM 0 HG2 GLU A 7 8.668 9.034 -9.300 1.00 63.32 H new ATOM 0 HG3 GLU A 7 9.356 9.098 -7.689 1.00 63.32 H new ATOM 107 N PHE A 8 4.746 8.877 -9.077 1.00 70.55 N ATOM 108 CA PHE A 8 3.955 9.183 -10.264 1.00 3.22 C ATOM 109 C PHE A 8 3.074 10.406 -10.029 1.00 11.42 C ATOM 110 O PHE A 8 2.908 11.245 -10.914 1.00 61.43 O ATOM 111 CB PHE A 8 3.089 7.983 -10.649 1.00 73.45 C ATOM 112 CG PHE A 8 3.631 7.201 -11.812 1.00 34.11 C ATOM 113 CD1 PHE A 8 3.155 7.422 -13.094 1.00 61.24 C ATOM 114 CD2 PHE A 8 4.615 6.245 -11.622 1.00 22.41 C ATOM 115 CE1 PHE A 8 3.652 6.704 -14.166 1.00 52.54 C ATOM 116 CE2 PHE A 8 5.116 5.525 -12.690 1.00 70.40 C ATOM 117 CZ PHE A 8 4.633 5.754 -13.964 1.00 31.24 C ATOM 0 H PHE A 8 4.388 8.101 -8.521 1.00 70.55 H new ATOM 0 HA PHE A 8 4.642 9.403 -11.081 1.00 3.22 H new ATOM 0 HB2 PHE A 8 2.996 7.321 -9.788 1.00 73.45 H new ATOM 0 HB3 PHE A 8 2.086 8.332 -10.892 1.00 73.45 H new ATOM 0 HD1 PHE A 8 2.387 8.163 -13.258 1.00 61.24 H new ATOM 0 HD2 PHE A 8 4.995 6.060 -10.628 1.00 22.41 H new ATOM 0 HE1 PHE A 8 3.273 6.886 -15.161 1.00 52.54 H new ATOM 0 HE2 PHE A 8 5.885 4.784 -12.529 1.00 70.40 H new ATOM 0 HZ PHE A 8 5.022 5.191 -14.800 1.00 31.24 H new ATOM 127 N ALA A 9 2.511 10.500 -8.829 1.00 15.52 N ATOM 128 CA ALA A 9 1.647 11.621 -8.476 1.00 24.32 C ATOM 129 C ALA A 9 2.423 12.934 -8.480 1.00 32.33 C ATOM 130 O ALA A 9 1.835 14.012 -8.557 1.00 43.22 O ATOM 131 CB ALA A 9 1.009 11.387 -7.115 1.00 31.33 C ATOM 0 H ALA A 9 2.637 9.814 -8.085 1.00 15.52 H new ATOM 0 HA ALA A 9 0.860 11.692 -9.227 1.00 24.32 H new ATOM 0 HB1 ALA A 9 0.367 12.231 -6.864 1.00 31.33 H new ATOM 0 HB2 ALA A 9 0.414 10.474 -7.144 1.00 31.33 H new ATOM 0 HB3 ALA A 9 1.789 11.287 -6.360 1.00 31.33 H new ATOM 137 N ALA A 10 3.745 12.835 -8.395 1.00 24.31 N ATOM 138 CA ALA A 10 4.601 14.015 -8.390 1.00 61.20 C ATOM 139 C ALA A 10 4.994 14.413 -9.808 1.00 44.54 C ATOM 140 O ALA A 10 5.204 15.592 -10.098 1.00 21.31 O ATOM 141 CB ALA A 10 5.842 13.763 -7.547 1.00 4.10 C ATOM 0 H ALA A 10 4.247 11.950 -8.329 1.00 24.31 H new ATOM 0 HA ALA A 10 4.039 14.840 -7.952 1.00 61.20 H new ATOM 0 HB1 ALA A 10 6.472 14.652 -7.552 1.00 4.10 H new ATOM 0 HB2 ALA A 10 5.546 13.534 -6.523 1.00 4.10 H new ATOM 0 HB3 ALA A 10 6.398 12.922 -7.961 1.00 4.10 H new ATOM 147 N LYS A 11 5.094 13.424 -10.690 1.00 12.40 N ATOM 148 CA LYS A 11 5.462 13.671 -12.079 1.00 54.01 C ATOM 149 C LYS A 11 4.227 13.969 -12.924 1.00 42.51 C ATOM 150 O LYS A 11 4.296 14.718 -13.900 1.00 24.10 O ATOM 151 CB LYS A 11 6.206 12.463 -12.653 1.00 51.43 C ATOM 152 CG LYS A 11 7.564 12.808 -13.240 1.00 11.45 C ATOM 153 CD LYS A 11 7.437 13.757 -14.420 1.00 2.24 C ATOM 154 CE LYS A 11 8.001 15.132 -14.093 1.00 35.34 C ATOM 155 NZ LYS A 11 9.477 15.185 -14.279 1.00 70.23 N ATOM 0 H LYS A 11 4.925 12.443 -10.467 1.00 12.40 H new ATOM 0 HA LYS A 11 6.118 14.541 -12.106 1.00 54.01 H new ATOM 0 HB2 LYS A 11 6.338 11.720 -11.866 1.00 51.43 H new ATOM 0 HB3 LYS A 11 5.592 12.002 -13.426 1.00 51.43 H new ATOM 0 HG2 LYS A 11 8.188 13.263 -12.471 1.00 11.45 H new ATOM 0 HG3 LYS A 11 8.066 11.895 -13.559 1.00 11.45 H new ATOM 0 HD2 LYS A 11 7.963 13.342 -15.280 1.00 2.24 H new ATOM 0 HD3 LYS A 11 6.388 13.850 -14.702 1.00 2.24 H new ATOM 0 HE2 LYS A 11 7.528 15.879 -14.730 1.00 35.34 H new ATOM 0 HE3 LYS A 11 7.755 15.390 -13.063 1.00 35.34 H new ATOM 0 HZ1 LYS A 11 9.822 16.138 -14.046 1.00 70.23 H new ATOM 0 HZ2 LYS A 11 9.931 14.490 -13.653 1.00 70.23 H new ATOM 0 HZ3 LYS A 11 9.710 14.964 -15.268 1.00 70.23 H new ATOM 169 N LEU A 12 3.099 13.381 -12.543 1.00 13.43 N ATOM 170 CA LEU A 12 1.848 13.586 -13.265 1.00 34.23 C ATOM 171 C LEU A 12 1.248 14.950 -12.939 1.00 73.14 C ATOM 172 O LEU A 12 0.487 15.509 -13.729 1.00 72.14 O ATOM 173 CB LEU A 12 0.849 12.481 -12.917 1.00 32.42 C ATOM 174 CG LEU A 12 0.848 11.262 -13.840 1.00 23.41 C ATOM 175 CD1 LEU A 12 0.194 11.600 -15.171 1.00 24.14 C ATOM 176 CD2 LEU A 12 2.267 10.754 -14.054 1.00 51.33 C ATOM 0 H LEU A 12 3.024 12.758 -11.738 1.00 13.43 H new ATOM 0 HA LEU A 12 2.063 13.550 -14.333 1.00 34.23 H new ATOM 0 HB2 LEU A 12 1.052 12.142 -11.901 1.00 32.42 H new ATOM 0 HB3 LEU A 12 -0.152 12.911 -12.916 1.00 32.42 H new ATOM 0 HG LEU A 12 0.268 10.471 -13.365 1.00 23.41 H new ATOM 0 HD11 LEU A 12 0.203 10.720 -15.814 1.00 24.14 H new ATOM 0 HD12 LEU A 12 -0.836 11.915 -15.001 1.00 24.14 H new ATOM 0 HD13 LEU A 12 0.746 12.407 -15.653 1.00 24.14 H new ATOM 0 HD21 LEU A 12 2.247 9.886 -14.713 1.00 51.33 H new ATOM 0 HD22 LEU A 12 2.871 11.540 -14.507 1.00 51.33 H new ATOM 0 HD23 LEU A 12 2.701 10.471 -13.095 1.00 51.33 H new ATOM 188 N ASP A 13 1.597 15.481 -11.773 1.00 20.11 N ATOM 189 CA ASP A 13 1.096 16.782 -11.344 1.00 72.41 C ATOM 190 C ASP A 13 1.521 17.876 -12.318 1.00 62.22 C ATOM 191 O ASP A 13 0.997 18.989 -12.284 1.00 10.23 O ATOM 192 CB ASP A 13 1.601 17.108 -9.938 1.00 43.51 C ATOM 193 CG ASP A 13 0.489 17.563 -9.014 1.00 53.42 C ATOM 194 OD1 ASP A 13 0.455 17.103 -7.854 1.00 23.15 O ATOM 195 OD2 ASP A 13 -0.348 18.380 -9.451 1.00 51.53 O ATOM 0 H ASP A 13 2.225 15.031 -11.107 1.00 20.11 H new ATOM 0 HA ASP A 13 0.007 16.738 -11.329 1.00 72.41 H new ATOM 0 HB2 ASP A 13 2.083 16.227 -9.515 1.00 43.51 H new ATOM 0 HB3 ASP A 13 2.360 17.888 -10.000 1.00 43.51 H new ATOM 200 N ARG A 14 2.475 17.551 -13.185 1.00 51.31 N ATOM 201 CA ARG A 14 2.972 18.507 -14.167 1.00 42.30 C ATOM 202 C ARG A 14 2.445 18.179 -15.561 1.00 13.33 C ATOM 203 O ARG A 14 2.731 18.887 -16.527 1.00 51.32 O ATOM 204 CB ARG A 14 4.502 18.511 -14.177 1.00 50.30 C ATOM 205 CG ARG A 14 5.114 19.588 -13.296 1.00 40.22 C ATOM 206 CD ARG A 14 6.599 19.347 -13.072 1.00 53.41 C ATOM 207 NE ARG A 14 7.425 20.135 -13.984 1.00 34.34 N ATOM 208 CZ ARG A 14 7.645 21.436 -13.837 1.00 2.31 C ATOM 209 NH1 ARG A 14 7.104 22.093 -12.820 1.00 44.31 N ATOM 210 NH2 ARG A 14 8.409 22.083 -14.708 1.00 54.52 N ATOM 0 H ARG A 14 2.919 16.634 -13.227 1.00 51.31 H new ATOM 0 HA ARG A 14 2.614 19.497 -13.886 1.00 42.30 H new ATOM 0 HB2 ARG A 14 4.862 17.536 -13.847 1.00 50.30 H new ATOM 0 HB3 ARG A 14 4.850 18.650 -15.201 1.00 50.30 H new ATOM 0 HG2 ARG A 14 4.968 20.564 -13.759 1.00 40.22 H new ATOM 0 HG3 ARG A 14 4.599 19.610 -12.336 1.00 40.22 H new ATOM 0 HD2 ARG A 14 6.856 19.597 -12.043 1.00 53.41 H new ATOM 0 HD3 ARG A 14 6.819 18.288 -13.207 1.00 53.41 H new ATOM 0 HE ARG A 14 7.856 19.660 -14.777 1.00 34.34 H new ATOM 0 HH11 ARG A 14 6.517 21.599 -12.148 1.00 44.31 H new ATOM 0 HH12 ARG A 14 7.275 23.093 -12.710 1.00 44.31 H new ATOM 0 HH21 ARG A 14 8.828 21.581 -15.491 1.00 54.52 H new ATOM 0 HH22 ARG A 14 8.578 23.083 -14.595 1.00 54.52 H new ATOM 224 N LEU A 15 1.674 17.102 -15.657 1.00 73.22 N ATOM 225 CA LEU A 15 1.106 16.679 -16.933 1.00 10.02 C ATOM 226 C LEU A 15 -0.409 16.853 -16.939 1.00 34.22 C ATOM 227 O LEU A 15 -0.987 17.317 -17.922 1.00 11.01 O ATOM 228 CB LEU A 15 1.464 15.219 -17.214 1.00 23.31 C ATOM 229 CG LEU A 15 2.854 14.769 -16.760 1.00 53.22 C ATOM 230 CD1 LEU A 15 3.161 13.374 -17.283 1.00 15.42 C ATOM 231 CD2 LEU A 15 3.912 15.759 -17.224 1.00 3.33 C ATOM 0 H LEU A 15 1.427 16.505 -14.867 1.00 73.22 H new ATOM 0 HA LEU A 15 1.529 17.308 -17.717 1.00 10.02 H new ATOM 0 HB2 LEU A 15 0.722 14.584 -16.729 1.00 23.31 H new ATOM 0 HB3 LEU A 15 1.380 15.045 -18.287 1.00 23.31 H new ATOM 0 HG LEU A 15 2.867 14.737 -15.671 1.00 53.22 H new ATOM 0 HD11 LEU A 15 4.154 13.071 -16.950 1.00 15.42 H new ATOM 0 HD12 LEU A 15 2.420 12.671 -16.902 1.00 15.42 H new ATOM 0 HD13 LEU A 15 3.130 13.379 -18.373 1.00 15.42 H new ATOM 0 HD21 LEU A 15 4.895 15.423 -16.892 1.00 3.33 H new ATOM 0 HD22 LEU A 15 3.898 15.823 -18.312 1.00 3.33 H new ATOM 0 HD23 LEU A 15 3.702 16.741 -16.800 1.00 3.33 H new ATOM 243 N ASP A 16 -1.047 16.479 -15.835 1.00 2.33 N ATOM 244 CA ASP A 16 -2.495 16.597 -15.711 1.00 71.10 C ATOM 245 C ASP A 16 -3.198 15.893 -16.867 1.00 71.24 C ATOM 246 O ASP A 16 -4.224 16.361 -17.360 1.00 61.24 O ATOM 247 CB ASP A 16 -2.907 18.069 -15.668 1.00 42.31 C ATOM 248 CG ASP A 16 -2.401 18.776 -14.426 1.00 22.11 C ATOM 249 OD1 ASP A 16 -2.594 20.006 -14.322 1.00 62.42 O ATOM 250 OD2 ASP A 16 -1.813 18.099 -13.557 1.00 5.20 O ATOM 0 H ASP A 16 -0.584 16.091 -15.013 1.00 2.33 H new ATOM 0 HA ASP A 16 -2.795 16.117 -14.780 1.00 71.10 H new ATOM 0 HB2 ASP A 16 -2.523 18.577 -16.553 1.00 42.31 H new ATOM 0 HB3 ASP A 16 -3.994 18.140 -15.706 1.00 42.31 H new ATOM 255 N ALA A 17 -2.638 14.766 -17.296 1.00 13.22 N ATOM 256 CA ALA A 17 -3.212 13.997 -18.393 1.00 41.32 C ATOM 257 C ALA A 17 -4.000 12.800 -17.872 1.00 2.31 C ATOM 258 O ALA A 17 -5.211 12.711 -18.067 1.00 15.42 O ATOM 259 CB ALA A 17 -2.117 13.537 -19.344 1.00 41.22 C ATOM 0 H ALA A 17 -1.787 14.366 -16.900 1.00 13.22 H new ATOM 0 HA ALA A 17 -3.902 14.644 -18.935 1.00 41.32 H new ATOM 0 HB1 ALA A 17 -2.560 12.964 -20.159 1.00 41.22 H new ATOM 0 HB2 ALA A 17 -1.600 14.406 -19.751 1.00 41.22 H new ATOM 0 HB3 ALA A 17 -1.406 12.911 -18.805 1.00 41.22 H new ATOM 265 N GLU A 18 -3.303 11.882 -17.209 1.00 51.14 N ATOM 266 CA GLU A 18 -3.939 10.690 -16.662 1.00 32.42 C ATOM 267 C GLU A 18 -4.489 10.959 -15.264 1.00 5.21 C ATOM 268 O GLU A 18 -5.695 10.876 -15.032 1.00 41.53 O ATOM 269 CB GLU A 18 -2.943 9.529 -16.615 1.00 51.12 C ATOM 270 CG GLU A 18 -3.326 8.437 -15.630 1.00 52.43 C ATOM 271 CD GLU A 18 -2.307 7.316 -15.577 1.00 3.14 C ATOM 272 OE1 GLU A 18 -2.722 6.142 -15.481 1.00 64.05 O ATOM 273 OE2 GLU A 18 -1.095 7.612 -15.629 1.00 42.33 O ATOM 0 H GLU A 18 -2.299 11.941 -17.038 1.00 51.14 H new ATOM 0 HA GLU A 18 -4.769 10.421 -17.315 1.00 32.42 H new ATOM 0 HB2 GLU A 18 -2.857 9.094 -17.611 1.00 51.12 H new ATOM 0 HB3 GLU A 18 -1.959 9.916 -16.351 1.00 51.12 H new ATOM 0 HG2 GLU A 18 -3.435 8.871 -14.636 1.00 52.43 H new ATOM 0 HG3 GLU A 18 -4.297 8.027 -15.907 1.00 52.43 H new ATOM 280 N PHE A 19 -3.594 11.281 -14.335 1.00 53.52 N ATOM 281 CA PHE A 19 -3.988 11.562 -12.959 1.00 72.24 C ATOM 282 C PHE A 19 -5.076 12.631 -12.912 1.00 45.31 C ATOM 283 O PHE A 19 -5.848 12.704 -11.957 1.00 73.02 O ATOM 284 CB PHE A 19 -2.776 12.014 -12.142 1.00 35.13 C ATOM 285 CG PHE A 19 -2.088 10.891 -11.420 1.00 1.24 C ATOM 286 CD1 PHE A 19 -1.791 9.707 -12.075 1.00 12.10 C ATOM 287 CD2 PHE A 19 -1.738 11.020 -10.085 1.00 60.21 C ATOM 288 CE1 PHE A 19 -1.157 8.672 -11.414 1.00 13.15 C ATOM 289 CE2 PHE A 19 -1.104 9.989 -9.419 1.00 24.44 C ATOM 290 CZ PHE A 19 -0.814 8.813 -10.083 1.00 70.22 C ATOM 0 H PHE A 19 -2.592 11.354 -14.510 1.00 53.52 H new ATOM 0 HA PHE A 19 -4.387 10.644 -12.527 1.00 72.24 H new ATOM 0 HB2 PHE A 19 -2.061 12.501 -12.806 1.00 35.13 H new ATOM 0 HB3 PHE A 19 -3.096 12.761 -11.415 1.00 35.13 H new ATOM 0 HD1 PHE A 19 -2.058 9.591 -13.115 1.00 12.10 H new ATOM 0 HD2 PHE A 19 -1.963 11.936 -9.560 1.00 60.21 H new ATOM 0 HE1 PHE A 19 -0.930 7.755 -11.937 1.00 13.15 H new ATOM 0 HE2 PHE A 19 -0.835 10.102 -8.379 1.00 24.44 H new ATOM 0 HZ PHE A 19 -0.320 8.005 -9.563 1.00 70.22 H new ATOM 300 N ALA A 20 -5.128 13.460 -13.950 1.00 22.31 N ATOM 301 CA ALA A 20 -6.120 14.524 -14.028 1.00 53.43 C ATOM 302 C ALA A 20 -7.499 13.966 -14.363 1.00 32.23 C ATOM 303 O ALA A 20 -8.513 14.438 -13.848 1.00 74.14 O ATOM 304 CB ALA A 20 -5.703 15.560 -15.062 1.00 71.33 C ATOM 0 H ALA A 20 -4.494 13.415 -14.748 1.00 22.31 H new ATOM 0 HA ALA A 20 -6.178 15.004 -13.051 1.00 53.43 H new ATOM 0 HB1 ALA A 20 -6.453 16.349 -15.110 1.00 71.33 H new ATOM 0 HB2 ALA A 20 -4.742 15.990 -14.779 1.00 71.33 H new ATOM 0 HB3 ALA A 20 -5.614 15.084 -16.039 1.00 71.33 H new ATOM 310 N LYS A 21 -7.530 12.958 -15.228 1.00 53.11 N ATOM 311 CA LYS A 21 -8.785 12.334 -15.632 1.00 23.14 C ATOM 312 C LYS A 21 -9.198 11.252 -14.639 1.00 13.22 C ATOM 313 O LYS A 21 -10.376 10.909 -14.533 1.00 11.40 O ATOM 314 CB LYS A 21 -8.651 11.731 -17.032 1.00 51.41 C ATOM 315 CG LYS A 21 -8.899 12.730 -18.150 1.00 21.42 C ATOM 316 CD LYS A 21 -10.379 12.854 -18.468 1.00 75.33 C ATOM 317 CE LYS A 21 -10.754 12.046 -19.701 1.00 61.15 C ATOM 318 NZ LYS A 21 -10.550 12.822 -20.956 1.00 13.11 N ATOM 0 H LYS A 21 -6.700 12.555 -15.663 1.00 53.11 H new ATOM 0 HA LYS A 21 -9.557 13.104 -15.647 1.00 23.14 H new ATOM 0 HB2 LYS A 21 -7.651 11.313 -17.144 1.00 51.41 H new ATOM 0 HB3 LYS A 21 -9.355 10.905 -17.132 1.00 51.41 H new ATOM 0 HG2 LYS A 21 -8.505 13.705 -17.862 1.00 21.42 H new ATOM 0 HG3 LYS A 21 -8.359 12.419 -19.044 1.00 21.42 H new ATOM 0 HD2 LYS A 21 -10.965 12.512 -17.615 1.00 75.33 H new ATOM 0 HD3 LYS A 21 -10.631 13.902 -18.628 1.00 75.33 H new ATOM 0 HE2 LYS A 21 -10.155 11.136 -19.735 1.00 61.15 H new ATOM 0 HE3 LYS A 21 -11.797 11.738 -19.630 1.00 61.15 H new ATOM 0 HZ1 LYS A 21 -10.817 12.237 -21.773 1.00 13.11 H new ATOM 0 HZ2 LYS A 21 -11.141 13.678 -20.935 1.00 13.11 H new ATOM 0 HZ3 LYS A 21 -9.550 13.094 -21.037 1.00 13.11 H new ATOM 332 N LYS A 22 -8.223 10.719 -13.912 1.00 24.34 N ATOM 333 CA LYS A 22 -8.485 9.678 -12.925 1.00 23.13 C ATOM 334 C LYS A 22 -9.076 10.273 -11.651 1.00 34.52 C ATOM 335 O LYS A 22 -10.030 9.735 -11.089 1.00 54.21 O ATOM 336 CB LYS A 22 -7.195 8.922 -12.596 1.00 74.42 C ATOM 337 CG LYS A 22 -7.395 7.774 -11.621 1.00 1.51 C ATOM 338 CD LYS A 22 -6.662 8.021 -10.313 1.00 21.12 C ATOM 339 CE LYS A 22 -6.966 6.937 -9.291 1.00 34.45 C ATOM 340 NZ LYS A 22 -6.266 5.662 -9.609 1.00 24.23 N ATOM 0 H LYS A 22 -7.243 10.991 -13.987 1.00 24.34 H new ATOM 0 HA LYS A 22 -9.208 8.983 -13.350 1.00 23.13 H new ATOM 0 HB2 LYS A 22 -6.766 8.533 -13.519 1.00 74.42 H new ATOM 0 HB3 LYS A 22 -6.471 9.621 -12.178 1.00 74.42 H new ATOM 0 HG2 LYS A 22 -8.459 7.644 -11.424 1.00 1.51 H new ATOM 0 HG3 LYS A 22 -7.038 6.847 -12.070 1.00 1.51 H new ATOM 0 HD2 LYS A 22 -5.588 8.058 -10.498 1.00 21.12 H new ATOM 0 HD3 LYS A 22 -6.950 8.992 -9.911 1.00 21.12 H new ATOM 0 HE2 LYS A 22 -6.667 7.278 -8.300 1.00 34.45 H new ATOM 0 HE3 LYS A 22 -8.041 6.762 -9.256 1.00 34.45 H new ATOM 0 HZ1 LYS A 22 -6.182 5.087 -8.746 1.00 24.23 H new ATOM 0 HZ2 LYS A 22 -6.809 5.137 -10.324 1.00 24.23 H new ATOM 0 HZ3 LYS A 22 -5.317 5.870 -9.980 1.00 24.23 H new ATOM 354 N MET A 23 -8.505 11.385 -11.201 1.00 63.05 N ATOM 355 CA MET A 23 -8.978 12.054 -9.995 1.00 73.51 C ATOM 356 C MET A 23 -10.466 12.375 -10.100 1.00 22.11 C ATOM 357 O MET A 23 -11.191 12.328 -9.107 1.00 1.10 O ATOM 358 CB MET A 23 -8.183 13.338 -9.752 1.00 70.33 C ATOM 359 CG MET A 23 -7.445 13.353 -8.424 1.00 3.33 C ATOM 360 SD MET A 23 -8.492 13.878 -7.053 1.00 71.10 S ATOM 361 CE MET A 23 -9.316 12.340 -6.649 1.00 32.13 C ATOM 0 H MET A 23 -7.714 11.842 -11.654 1.00 63.05 H new ATOM 0 HA MET A 23 -8.828 11.379 -9.153 1.00 73.51 H new ATOM 0 HB2 MET A 23 -7.463 13.468 -10.560 1.00 70.33 H new ATOM 0 HB3 MET A 23 -8.863 14.189 -9.790 1.00 70.33 H new ATOM 0 HG2 MET A 23 -7.056 12.356 -8.218 1.00 3.33 H new ATOM 0 HG3 MET A 23 -6.587 14.021 -8.497 1.00 3.33 H new ATOM 0 HE1 MET A 23 -10.370 12.411 -6.916 1.00 32.13 H new ATOM 0 HE2 MET A 23 -8.855 11.523 -7.205 1.00 32.13 H new ATOM 0 HE3 MET A 23 -9.224 12.148 -5.580 1.00 32.13 H new ATOM 371 N GLU A 24 -10.913 12.701 -11.309 1.00 5.32 N ATOM 372 CA GLU A 24 -12.314 13.031 -11.541 1.00 43.41 C ATOM 373 C GLU A 24 -13.181 11.776 -11.508 1.00 50.30 C ATOM 374 O GLU A 24 -14.393 11.853 -11.308 1.00 23.51 O ATOM 375 CB GLU A 24 -12.477 13.742 -12.886 1.00 41.13 C ATOM 376 CG GLU A 24 -13.452 14.907 -12.845 1.00 23.11 C ATOM 377 CD GLU A 24 -13.322 15.819 -14.049 1.00 52.13 C ATOM 378 OE1 GLU A 24 -13.168 17.043 -13.852 1.00 75.31 O ATOM 379 OE2 GLU A 24 -13.375 15.310 -15.188 1.00 42.03 O ATOM 0 H GLU A 24 -10.326 12.744 -12.142 1.00 5.32 H new ATOM 0 HA GLU A 24 -12.641 13.698 -10.743 1.00 43.41 H new ATOM 0 HB2 GLU A 24 -11.504 14.105 -13.216 1.00 41.13 H new ATOM 0 HB3 GLU A 24 -12.817 13.021 -13.630 1.00 41.13 H new ATOM 0 HG2 GLU A 24 -14.470 14.522 -12.794 1.00 23.11 H new ATOM 0 HG3 GLU A 24 -13.284 15.485 -11.936 1.00 23.11 H new ATOM 386 N GLU A 25 -12.551 10.623 -11.707 1.00 25.15 N ATOM 387 CA GLU A 25 -13.265 9.352 -11.701 1.00 20.32 C ATOM 388 C GLU A 25 -13.511 8.872 -10.273 1.00 51.31 C ATOM 389 O GLU A 25 -14.094 7.810 -10.057 1.00 2.34 O ATOM 390 CB GLU A 25 -12.476 8.295 -12.477 1.00 34.44 C ATOM 391 CG GLU A 25 -11.699 7.340 -11.586 1.00 43.21 C ATOM 392 CD GLU A 25 -10.551 6.667 -12.314 1.00 12.31 C ATOM 393 OE1 GLU A 25 -10.342 6.978 -13.505 1.00 64.03 O ATOM 394 OE2 GLU A 25 -9.863 5.830 -11.693 1.00 53.31 O ATOM 0 H GLU A 25 -11.548 10.543 -11.874 1.00 25.15 H new ATOM 0 HA GLU A 25 -14.229 9.504 -12.186 1.00 20.32 H new ATOM 0 HB2 GLU A 25 -13.165 7.721 -13.096 1.00 34.44 H new ATOM 0 HB3 GLU A 25 -11.782 8.795 -13.152 1.00 34.44 H new ATOM 0 HG2 GLU A 25 -11.309 7.886 -10.727 1.00 43.21 H new ATOM 0 HG3 GLU A 25 -12.376 6.578 -11.199 1.00 43.21 H new ATOM 401 N GLN A 26 -13.062 9.663 -9.304 1.00 11.21 N ATOM 402 CA GLN A 26 -13.232 9.319 -7.897 1.00 53.13 C ATOM 403 C GLN A 26 -14.688 8.982 -7.592 1.00 0.24 C ATOM 404 O GLN A 26 -14.974 8.089 -6.796 1.00 34.03 O ATOM 405 CB GLN A 26 -12.766 10.473 -7.008 1.00 41.01 C ATOM 406 CG GLN A 26 -12.591 10.084 -5.549 1.00 4.21 C ATOM 407 CD GLN A 26 -13.849 10.301 -4.732 1.00 72.41 C ATOM 408 OE1 GLN A 26 -14.919 10.571 -5.279 1.00 0.34 O ATOM 409 NE2 GLN A 26 -13.728 10.182 -3.415 1.00 73.21 N ATOM 0 H GLN A 26 -12.578 10.546 -9.467 1.00 11.21 H new ATOM 0 HA GLN A 26 -12.623 8.440 -7.687 1.00 53.13 H new ATOM 0 HB2 GLN A 26 -11.819 10.855 -7.390 1.00 41.01 H new ATOM 0 HB3 GLN A 26 -13.488 11.287 -7.074 1.00 41.01 H new ATOM 0 HG2 GLN A 26 -12.300 9.035 -5.489 1.00 4.21 H new ATOM 0 HG3 GLN A 26 -11.777 10.666 -5.117 1.00 4.21 H new ATOM 0 HE21 GLN A 26 -12.822 9.957 -3.004 1.00 73.21 H new ATOM 0 HE22 GLN A 26 -14.541 10.316 -2.814 1.00 73.21 H new ATOM 418 N ASN A 27 -15.604 9.704 -8.229 1.00 42.04 N ATOM 419 CA ASN A 27 -17.031 9.482 -8.025 1.00 4.13 C ATOM 420 C ASN A 27 -17.412 8.045 -8.366 1.00 70.12 C ATOM 421 O ASN A 27 -18.414 7.523 -7.876 1.00 4.11 O ATOM 422 CB ASN A 27 -17.847 10.455 -8.878 1.00 61.21 C ATOM 423 CG ASN A 27 -18.168 11.741 -8.142 1.00 31.15 C ATOM 424 OD1 ASN A 27 -17.841 11.894 -6.965 1.00 21.54 O ATOM 425 ND2 ASN A 27 -18.812 12.674 -8.833 1.00 75.52 N ATOM 0 H ASN A 27 -15.384 10.448 -8.891 1.00 42.04 H new ATOM 0 HA ASN A 27 -17.254 9.658 -6.973 1.00 4.13 H new ATOM 0 HB2 ASN A 27 -17.293 10.689 -9.787 1.00 61.21 H new ATOM 0 HB3 ASN A 27 -18.776 9.974 -9.185 1.00 61.21 H new ATOM 0 HD21 ASN A 27 -19.055 13.560 -8.390 1.00 75.52 H new ATOM 0 HD22 ASN A 27 -19.064 12.505 -9.807 1.00 75.52 H new ATOM 432 N LYS A 28 -16.606 7.409 -9.210 1.00 52.31 N ATOM 433 CA LYS A 28 -16.856 6.032 -9.617 1.00 34.30 C ATOM 434 C LYS A 28 -16.346 5.052 -8.565 1.00 45.40 C ATOM 435 O LYS A 28 -16.699 3.873 -8.578 1.00 10.23 O ATOM 436 CB LYS A 28 -16.187 5.746 -10.963 1.00 5.10 C ATOM 437 CG LYS A 28 -16.327 6.879 -11.965 1.00 11.02 C ATOM 438 CD LYS A 28 -16.485 6.354 -13.382 1.00 35.11 C ATOM 439 CE LYS A 28 -17.650 7.022 -14.097 1.00 43.21 C ATOM 440 NZ LYS A 28 -17.405 7.143 -15.561 1.00 53.40 N ATOM 0 H LYS A 28 -15.773 7.826 -9.626 1.00 52.31 H new ATOM 0 HA LYS A 28 -17.933 5.900 -9.719 1.00 34.30 H new ATOM 0 HB2 LYS A 28 -15.128 5.547 -10.798 1.00 5.10 H new ATOM 0 HB3 LYS A 28 -16.619 4.840 -11.389 1.00 5.10 H new ATOM 0 HG2 LYS A 28 -17.190 7.492 -11.705 1.00 11.02 H new ATOM 0 HG3 LYS A 28 -15.450 7.524 -11.911 1.00 11.02 H new ATOM 0 HD2 LYS A 28 -15.565 6.529 -13.941 1.00 35.11 H new ATOM 0 HD3 LYS A 28 -16.642 5.276 -13.356 1.00 35.11 H new ATOM 0 HE2 LYS A 28 -18.559 6.445 -13.927 1.00 43.21 H new ATOM 0 HE3 LYS A 28 -17.817 8.012 -13.673 1.00 43.21 H new ATOM 0 HZ1 LYS A 28 -18.221 7.603 -16.013 1.00 53.40 H new ATOM 0 HZ2 LYS A 28 -16.551 7.714 -15.724 1.00 53.40 H new ATOM 0 HZ3 LYS A 28 -17.271 6.196 -15.970 1.00 53.40 H new ATOM 454 N ARG A 29 -15.514 5.549 -7.655 1.00 63.12 N ATOM 455 CA ARG A 29 -14.955 4.717 -6.596 1.00 40.21 C ATOM 456 C ARG A 29 -16.054 3.934 -5.883 1.00 4.51 C ATOM 457 O ARG A 29 -15.795 2.895 -5.275 1.00 54.23 O ATOM 458 CB ARG A 29 -14.193 5.581 -5.589 1.00 30.51 C ATOM 459 CG ARG A 29 -13.252 4.788 -4.696 1.00 72.13 C ATOM 460 CD ARG A 29 -11.798 5.140 -4.968 1.00 61.32 C ATOM 461 NE ARG A 29 -11.208 4.278 -5.989 1.00 21.42 N ATOM 462 CZ ARG A 29 -9.901 4.193 -6.214 1.00 15.40 C ATOM 463 NH1 ARG A 29 -9.053 4.915 -5.494 1.00 74.20 N ATOM 464 NH2 ARG A 29 -9.441 3.386 -7.161 1.00 21.23 N ATOM 0 H ARG A 29 -15.212 6.523 -7.630 1.00 63.12 H new ATOM 0 HA ARG A 29 -14.264 4.007 -7.051 1.00 40.21 H new ATOM 0 HB2 ARG A 29 -13.619 6.334 -6.130 1.00 30.51 H new ATOM 0 HB3 ARG A 29 -14.910 6.114 -4.965 1.00 30.51 H new ATOM 0 HG2 ARG A 29 -13.486 4.988 -3.650 1.00 72.13 H new ATOM 0 HG3 ARG A 29 -13.406 3.721 -4.859 1.00 72.13 H new ATOM 0 HD2 ARG A 29 -11.731 6.180 -5.288 1.00 61.32 H new ATOM 0 HD3 ARG A 29 -11.225 5.053 -4.045 1.00 61.32 H new ATOM 0 HE ARG A 29 -11.833 3.710 -6.561 1.00 21.42 H new ATOM 0 HH11 ARG A 29 -9.404 5.537 -4.766 1.00 74.20 H new ATOM 0 HH12 ARG A 29 -8.050 4.848 -5.669 1.00 74.20 H new ATOM 0 HH21 ARG A 29 -10.091 2.830 -7.717 1.00 21.23 H new ATOM 0 HH22 ARG A 29 -8.438 3.321 -7.333 1.00 21.23 H new ATOM 478 N PHE A 30 -17.280 4.441 -5.961 1.00 23.12 N ATOM 479 CA PHE A 30 -18.418 3.790 -5.322 1.00 4.44 C ATOM 480 C PHE A 30 -18.878 2.582 -6.131 1.00 73.21 C ATOM 481 O PHE A 30 -19.063 1.492 -5.590 1.00 34.34 O ATOM 482 CB PHE A 30 -19.573 4.780 -5.159 1.00 50.34 C ATOM 483 CG PHE A 30 -20.144 4.813 -3.771 1.00 21.15 C ATOM 484 CD1 PHE A 30 -19.634 5.680 -2.818 1.00 0.12 C ATOM 485 CD2 PHE A 30 -21.190 3.976 -3.418 1.00 32.15 C ATOM 486 CE1 PHE A 30 -20.157 5.713 -1.539 1.00 32.11 C ATOM 487 CE2 PHE A 30 -21.718 4.005 -2.140 1.00 62.45 C ATOM 488 CZ PHE A 30 -21.200 4.873 -1.200 1.00 1.24 C ATOM 0 H PHE A 30 -17.511 5.300 -6.460 1.00 23.12 H new ATOM 0 HA PHE A 30 -18.102 3.446 -4.337 1.00 4.44 H new ATOM 0 HB2 PHE A 30 -19.225 5.778 -5.424 1.00 50.34 H new ATOM 0 HB3 PHE A 30 -20.364 4.521 -5.863 1.00 50.34 H new ATOM 0 HD1 PHE A 30 -18.818 6.338 -3.078 1.00 0.12 H new ATOM 0 HD2 PHE A 30 -21.598 3.293 -4.149 1.00 32.15 H new ATOM 0 HE1 PHE A 30 -19.751 6.394 -0.806 1.00 32.11 H new ATOM 0 HE2 PHE A 30 -22.535 3.349 -1.878 1.00 62.45 H new ATOM 0 HZ PHE A 30 -21.610 4.895 -0.201 1.00 1.24 H new ATOM 498 N PHE A 31 -19.062 2.784 -7.432 1.00 32.53 N ATOM 499 CA PHE A 31 -19.503 1.712 -8.317 1.00 21.32 C ATOM 500 C PHE A 31 -18.368 0.727 -8.586 1.00 14.51 C ATOM 501 O PHE A 31 -18.605 -0.436 -8.908 1.00 33.55 O ATOM 502 CB PHE A 31 -20.015 2.290 -9.637 1.00 52.34 C ATOM 503 CG PHE A 31 -20.764 1.295 -10.477 1.00 41.34 C ATOM 504 CD1 PHE A 31 -20.254 0.873 -11.694 1.00 43.04 C ATOM 505 CD2 PHE A 31 -21.978 0.783 -10.050 1.00 73.12 C ATOM 506 CE1 PHE A 31 -20.940 -0.043 -12.470 1.00 0.33 C ATOM 507 CE2 PHE A 31 -22.669 -0.133 -10.821 1.00 22.31 C ATOM 508 CZ PHE A 31 -22.150 -0.546 -12.033 1.00 3.34 C ATOM 0 H PHE A 31 -18.913 3.680 -7.896 1.00 32.53 H new ATOM 0 HA PHE A 31 -20.315 1.178 -7.823 1.00 21.32 H new ATOM 0 HB2 PHE A 31 -20.667 3.138 -9.425 1.00 52.34 H new ATOM 0 HB3 PHE A 31 -19.170 2.673 -10.209 1.00 52.34 H new ATOM 0 HD1 PHE A 31 -19.309 1.264 -12.041 1.00 43.04 H new ATOM 0 HD2 PHE A 31 -22.389 1.103 -9.104 1.00 73.12 H new ATOM 0 HE1 PHE A 31 -20.530 -0.365 -13.416 1.00 0.33 H new ATOM 0 HE2 PHE A 31 -23.614 -0.526 -10.476 1.00 22.31 H new ATOM 0 HZ PHE A 31 -22.689 -1.260 -12.637 1.00 3.34 H new ATOM 518 N ALA A 32 -17.135 1.204 -8.452 1.00 51.51 N ATOM 519 CA ALA A 32 -15.964 0.367 -8.679 1.00 44.50 C ATOM 520 C ALA A 32 -15.273 0.021 -7.364 1.00 52.32 C ATOM 521 O ALA A 32 -14.165 -0.515 -7.356 1.00 72.33 O ATOM 522 CB ALA A 32 -14.992 1.064 -9.620 1.00 62.22 C ATOM 0 H ALA A 32 -16.921 2.166 -8.187 1.00 51.51 H new ATOM 0 HA ALA A 32 -16.297 -0.563 -9.140 1.00 44.50 H new ATOM 0 HB1 ALA A 32 -14.122 0.428 -9.781 1.00 62.22 H new ATOM 0 HB2 ALA A 32 -15.483 1.255 -10.574 1.00 62.22 H new ATOM 0 HB3 ALA A 32 -14.674 2.009 -9.180 1.00 62.22 H new ATOM 528 N ASP A 33 -15.934 0.332 -6.255 1.00 13.13 N ATOM 529 CA ASP A 33 -15.384 0.053 -4.933 1.00 50.42 C ATOM 530 C ASP A 33 -15.037 -1.425 -4.790 1.00 31.21 C ATOM 531 O ASP A 33 -14.229 -1.805 -3.943 1.00 22.35 O ATOM 532 CB ASP A 33 -16.378 0.464 -3.846 1.00 53.42 C ATOM 533 CG ASP A 33 -15.708 1.179 -2.689 1.00 54.01 C ATOM 534 OD1 ASP A 33 -14.670 0.681 -2.205 1.00 13.13 O ATOM 535 OD2 ASP A 33 -16.222 2.237 -2.268 1.00 63.34 O ATOM 0 H ASP A 33 -16.852 0.777 -6.245 1.00 13.13 H new ATOM 0 HA ASP A 33 -14.470 0.635 -4.817 1.00 50.42 H new ATOM 0 HB2 ASP A 33 -17.138 1.114 -4.280 1.00 53.42 H new ATOM 0 HB3 ASP A 33 -16.891 -0.422 -3.473 1.00 53.42 H new ATOM 540 N LYS A 34 -15.654 -2.256 -5.623 1.00 55.01 N ATOM 541 CA LYS A 34 -15.412 -3.693 -5.591 1.00 21.44 C ATOM 542 C LYS A 34 -13.916 -3.993 -5.601 1.00 34.21 C ATOM 543 O LYS A 34 -13.095 -3.160 -5.984 1.00 25.30 O ATOM 544 CB LYS A 34 -16.087 -4.372 -6.784 1.00 73.42 C ATOM 545 CG LYS A 34 -15.181 -4.517 -7.995 1.00 12.43 C ATOM 546 CD LYS A 34 -14.690 -3.166 -8.487 1.00 42.24 C ATOM 547 CE LYS A 34 -14.796 -3.052 -10.000 1.00 54.24 C ATOM 548 NZ LYS A 34 -14.035 -1.884 -10.524 1.00 13.33 N ATOM 0 H LYS A 34 -16.326 -1.958 -6.330 1.00 55.01 H new ATOM 0 HA LYS A 34 -15.838 -4.087 -4.668 1.00 21.44 H new ATOM 0 HB2 LYS A 34 -16.434 -5.360 -6.480 1.00 73.42 H new ATOM 0 HB3 LYS A 34 -16.969 -3.797 -7.067 1.00 73.42 H new ATOM 0 HG2 LYS A 34 -14.327 -5.145 -7.739 1.00 12.43 H new ATOM 0 HG3 LYS A 34 -15.720 -5.023 -8.796 1.00 12.43 H new ATOM 0 HD2 LYS A 34 -15.274 -2.373 -8.019 1.00 42.24 H new ATOM 0 HD3 LYS A 34 -13.654 -3.021 -8.182 1.00 42.24 H new ATOM 0 HE2 LYS A 34 -14.420 -3.966 -10.460 1.00 54.24 H new ATOM 0 HE3 LYS A 34 -15.844 -2.960 -10.284 1.00 54.24 H new ATOM 0 HZ1 LYS A 34 -14.692 -1.214 -10.973 1.00 13.33 H new ATOM 0 HZ2 LYS A 34 -13.541 -1.412 -9.740 1.00 13.33 H new ATOM 0 HZ3 LYS A 34 -13.340 -2.209 -11.226 1.00 13.33 H new ATOM 562 N PRO A 35 -13.553 -5.211 -5.172 1.00 11.01 N ATOM 563 CA PRO A 35 -12.155 -5.649 -5.124 1.00 40.04 C ATOM 564 C PRO A 35 -11.564 -5.855 -6.515 1.00 75.30 C ATOM 565 O PRO A 35 -12.194 -6.458 -7.384 1.00 34.50 O ATOM 566 CB PRO A 35 -12.226 -6.979 -4.371 1.00 25.44 C ATOM 567 CG PRO A 35 -13.609 -7.477 -4.610 1.00 32.34 C ATOM 568 CD PRO A 35 -14.479 -6.254 -4.701 1.00 33.33 C ATOM 0 HA PRO A 35 -11.512 -4.908 -4.649 1.00 40.04 H new ATOM 0 HB2 PRO A 35 -11.482 -7.684 -4.742 1.00 25.44 H new ATOM 0 HB3 PRO A 35 -12.033 -6.842 -3.307 1.00 25.44 H new ATOM 0 HG2 PRO A 35 -13.660 -8.062 -5.529 1.00 32.34 H new ATOM 0 HG3 PRO A 35 -13.935 -8.128 -3.799 1.00 32.34 H new ATOM 0 HD2 PRO A 35 -15.306 -6.400 -5.395 1.00 33.33 H new ATOM 0 HD3 PRO A 35 -14.915 -5.998 -3.735 1.00 33.33 H new ATOM 576 N ASP A 36 -10.352 -5.351 -6.719 1.00 33.44 N ATOM 577 CA ASP A 36 -9.676 -5.482 -8.004 1.00 20.00 C ATOM 578 C ASP A 36 -8.328 -6.177 -7.840 1.00 44.44 C ATOM 579 O ASP A 36 -7.380 -5.891 -8.571 1.00 63.33 O ATOM 580 CB ASP A 36 -9.481 -4.107 -8.644 1.00 1.42 C ATOM 581 CG ASP A 36 -10.708 -3.227 -8.510 1.00 53.35 C ATOM 582 OD1 ASP A 36 -11.632 -3.367 -9.339 1.00 73.11 O ATOM 583 OD2 ASP A 36 -10.745 -2.398 -7.577 1.00 33.30 O ATOM 0 H ASP A 36 -9.818 -4.848 -6.011 1.00 33.44 H new ATOM 0 HA ASP A 36 -10.302 -6.092 -8.656 1.00 20.00 H new ATOM 0 HB2 ASP A 36 -8.629 -3.611 -8.179 1.00 1.42 H new ATOM 0 HB3 ASP A 36 -9.240 -4.232 -9.700 1.00 1.42 H new ATOM 588 N GLU A 37 -8.250 -7.088 -6.876 1.00 33.20 N ATOM 589 CA GLU A 37 -7.017 -7.821 -6.616 1.00 21.50 C ATOM 590 C GLU A 37 -6.024 -6.959 -5.843 1.00 44.40 C ATOM 591 O GLU A 37 -5.569 -7.333 -4.762 1.00 74.25 O ATOM 592 CB GLU A 37 -6.388 -8.289 -7.931 1.00 14.35 C ATOM 593 CG GLU A 37 -5.706 -9.642 -7.831 1.00 63.44 C ATOM 594 CD GLU A 37 -5.146 -10.112 -9.160 1.00 70.21 C ATOM 595 OE1 GLU A 37 -5.949 -10.418 -10.067 1.00 11.44 O ATOM 596 OE2 GLU A 37 -3.906 -10.175 -9.293 1.00 51.15 O ATOM 0 H GLU A 37 -9.026 -7.336 -6.262 1.00 33.20 H new ATOM 0 HA GLU A 37 -7.264 -8.692 -6.010 1.00 21.50 H new ATOM 0 HB2 GLU A 37 -7.162 -8.337 -8.697 1.00 14.35 H new ATOM 0 HB3 GLU A 37 -5.660 -7.548 -8.260 1.00 14.35 H new ATOM 0 HG2 GLU A 37 -4.899 -9.585 -7.101 1.00 63.44 H new ATOM 0 HG3 GLU A 37 -6.420 -10.378 -7.461 1.00 63.44 H new ATOM 603 N ALA A 38 -5.691 -5.802 -6.406 1.00 1.52 N ATOM 604 CA ALA A 38 -4.753 -4.885 -5.770 1.00 11.51 C ATOM 605 C ALA A 38 -5.403 -4.162 -4.595 1.00 30.23 C ATOM 606 O ALA A 38 -4.795 -4.004 -3.536 1.00 24.24 O ATOM 607 CB ALA A 38 -4.228 -3.880 -6.784 1.00 43.53 C ATOM 0 H ALA A 38 -6.057 -5.478 -7.301 1.00 1.52 H new ATOM 0 HA ALA A 38 -3.916 -5.469 -5.386 1.00 11.51 H new ATOM 0 HB1 ALA A 38 -3.529 -3.202 -6.295 1.00 43.53 H new ATOM 0 HB2 ALA A 38 -3.718 -4.408 -7.590 1.00 43.53 H new ATOM 0 HB3 ALA A 38 -5.061 -3.309 -7.195 1.00 43.53 H new ATOM 613 N THR A 39 -6.643 -3.724 -4.788 1.00 33.12 N ATOM 614 CA THR A 39 -7.375 -3.017 -3.745 1.00 11.34 C ATOM 615 C THR A 39 -6.897 -1.575 -3.618 1.00 44.15 C ATOM 616 O THR A 39 -7.697 -0.639 -3.647 1.00 74.41 O ATOM 617 CB THR A 39 -7.226 -3.716 -2.381 1.00 22.45 C ATOM 618 OG1 THR A 39 -7.186 -5.137 -2.560 1.00 42.51 O ATOM 619 CG2 THR A 39 -8.376 -3.349 -1.455 1.00 71.32 C ATOM 0 H THR A 39 -7.162 -3.847 -5.658 1.00 33.12 H new ATOM 0 HA THR A 39 -8.425 -3.025 -4.037 1.00 11.34 H new ATOM 0 HB THR A 39 -6.294 -3.381 -1.927 1.00 22.45 H new ATOM 0 HG1 THR A 39 -7.089 -5.574 -1.688 1.00 42.51 H new ATOM 0 HG21 THR A 39 -8.248 -3.855 -0.498 1.00 71.32 H new ATOM 0 HG22 THR A 39 -8.386 -2.271 -1.297 1.00 71.32 H new ATOM 0 HG23 THR A 39 -9.319 -3.658 -1.906 1.00 71.32 H new ATOM 627 N LEU A 40 -5.587 -1.401 -3.479 1.00 60.35 N ATOM 628 CA LEU A 40 -5.001 -0.072 -3.350 1.00 0.43 C ATOM 629 C LEU A 40 -5.489 0.617 -2.079 1.00 52.03 C ATOM 630 O LEU A 40 -6.687 0.645 -1.798 1.00 32.14 O ATOM 631 CB LEU A 40 -5.348 0.781 -4.571 1.00 44.43 C ATOM 632 CG LEU A 40 -4.852 2.228 -4.543 1.00 21.45 C ATOM 633 CD1 LEU A 40 -5.843 3.117 -3.809 1.00 13.23 C ATOM 634 CD2 LEU A 40 -3.478 2.308 -3.893 1.00 32.32 C ATOM 0 H LEU A 40 -4.911 -2.164 -3.453 1.00 60.35 H new ATOM 0 HA LEU A 40 -3.918 -0.184 -3.288 1.00 0.43 H new ATOM 0 HB2 LEU A 40 -4.939 0.295 -5.457 1.00 44.43 H new ATOM 0 HB3 LEU A 40 -6.432 0.792 -4.685 1.00 44.43 H new ATOM 0 HG LEU A 40 -4.767 2.583 -5.570 1.00 21.45 H new ATOM 0 HD11 LEU A 40 -5.474 4.143 -3.799 1.00 13.23 H new ATOM 0 HD12 LEU A 40 -6.807 3.083 -4.316 1.00 13.23 H new ATOM 0 HD13 LEU A 40 -5.960 2.763 -2.785 1.00 13.23 H new ATOM 0 HD21 LEU A 40 -3.141 3.344 -3.882 1.00 32.32 H new ATOM 0 HD22 LEU A 40 -3.537 1.934 -2.871 1.00 32.32 H new ATOM 0 HD23 LEU A 40 -2.771 1.703 -4.461 1.00 32.32 H new ATOM 646 N SER A 41 -4.553 1.173 -1.317 1.00 14.51 N ATOM 647 CA SER A 41 -4.888 1.861 -0.075 1.00 51.23 C ATOM 648 C SER A 41 -5.017 3.364 -0.305 1.00 33.04 C ATOM 649 O SER A 41 -4.600 3.899 -1.332 1.00 10.32 O ATOM 650 CB SER A 41 -3.823 1.586 0.988 1.00 32.30 C ATOM 651 OG SER A 41 -2.935 0.565 0.568 1.00 61.32 O ATOM 0 H SER A 41 -3.557 1.161 -1.537 1.00 14.51 H new ATOM 0 HA SER A 41 -5.848 1.481 0.275 1.00 51.23 H new ATOM 0 HB2 SER A 41 -3.263 2.499 1.191 1.00 32.30 H new ATOM 0 HB3 SER A 41 -4.304 1.293 1.921 1.00 32.30 H new ATOM 0 HG SER A 41 -2.263 0.409 1.264 1.00 61.32 H new ATOM 657 N PRO A 42 -5.610 4.062 0.675 1.00 3.34 N ATOM 658 CA PRO A 42 -5.808 5.513 0.605 1.00 1.12 C ATOM 659 C PRO A 42 -4.497 6.283 0.716 1.00 44.44 C ATOM 660 O PRO A 42 -4.495 7.499 0.909 1.00 30.50 O ATOM 661 CB PRO A 42 -6.704 5.807 1.811 1.00 50.41 C ATOM 662 CG PRO A 42 -6.426 4.701 2.769 1.00 61.23 C ATOM 663 CD PRO A 42 -6.131 3.490 1.928 1.00 72.53 C ATOM 0 HA PRO A 42 -6.238 5.820 -0.348 1.00 1.12 H new ATOM 0 HB2 PRO A 42 -6.472 6.778 2.249 1.00 50.41 H new ATOM 0 HB3 PRO A 42 -7.756 5.829 1.526 1.00 50.41 H new ATOM 0 HG2 PRO A 42 -5.580 4.945 3.412 1.00 61.23 H new ATOM 0 HG3 PRO A 42 -7.282 4.525 3.421 1.00 61.23 H new ATOM 0 HD2 PRO A 42 -5.400 2.837 2.406 1.00 72.53 H new ATOM 0 HD3 PRO A 42 -7.027 2.893 1.755 1.00 72.53 H new ATOM 671 N GLU A 43 -3.383 5.568 0.591 1.00 40.02 N ATOM 672 CA GLU A 43 -2.065 6.186 0.677 1.00 11.22 C ATOM 673 C GLU A 43 -1.944 7.348 -0.305 1.00 2.24 C ATOM 674 O GLU A 43 -1.190 8.293 -0.074 1.00 23.10 O ATOM 675 CB GLU A 43 -0.973 5.152 0.398 1.00 62.24 C ATOM 676 CG GLU A 43 -0.564 5.078 -1.064 1.00 51.10 C ATOM 677 CD GLU A 43 0.487 6.108 -1.428 1.00 42.34 C ATOM 678 OE1 GLU A 43 1.132 6.649 -0.506 1.00 12.25 O ATOM 679 OE2 GLU A 43 0.665 6.374 -2.635 1.00 62.25 O ATOM 0 H GLU A 43 -3.367 4.561 0.430 1.00 40.02 H new ATOM 0 HA GLU A 43 -1.939 6.573 1.688 1.00 11.22 H new ATOM 0 HB2 GLU A 43 -0.096 5.390 1.000 1.00 62.24 H new ATOM 0 HB3 GLU A 43 -1.323 4.171 0.719 1.00 62.24 H new ATOM 0 HG2 GLU A 43 -0.180 4.081 -1.280 1.00 51.10 H new ATOM 0 HG3 GLU A 43 -1.443 5.224 -1.691 1.00 51.10 H new ATOM 686 N MET A 44 -2.692 7.270 -1.400 1.00 64.34 N ATOM 687 CA MET A 44 -2.669 8.315 -2.417 1.00 64.22 C ATOM 688 C MET A 44 -3.681 9.409 -2.095 1.00 51.20 C ATOM 689 O MET A 44 -3.580 10.530 -2.595 1.00 72.44 O ATOM 690 CB MET A 44 -2.963 7.721 -3.796 1.00 53.11 C ATOM 691 CG MET A 44 -1.719 7.495 -4.639 1.00 23.10 C ATOM 692 SD MET A 44 -0.885 9.034 -5.074 1.00 74.52 S ATOM 693 CE MET A 44 0.540 8.964 -3.992 1.00 42.31 C ATOM 0 H MET A 44 -3.322 6.494 -1.606 1.00 64.34 H new ATOM 0 HA MET A 44 -1.673 8.758 -2.425 1.00 64.22 H new ATOM 0 HB2 MET A 44 -3.484 6.772 -3.670 1.00 53.11 H new ATOM 0 HB3 MET A 44 -3.639 8.387 -4.332 1.00 53.11 H new ATOM 0 HG2 MET A 44 -1.027 6.853 -4.094 1.00 23.10 H new ATOM 0 HG3 MET A 44 -1.994 6.965 -5.551 1.00 23.10 H new ATOM 0 HE1 MET A 44 1.235 9.762 -4.253 1.00 42.31 H new ATOM 0 HE2 MET A 44 0.218 9.087 -2.958 1.00 42.31 H new ATOM 0 HE3 MET A 44 1.036 8.000 -4.105 1.00 42.31 H new ATOM 703 N LYS A 45 -4.657 9.078 -1.257 1.00 32.23 N ATOM 704 CA LYS A 45 -5.688 10.032 -0.866 1.00 52.14 C ATOM 705 C LYS A 45 -5.066 11.298 -0.285 1.00 31.30 C ATOM 706 O LYS A 45 -5.673 12.368 -0.315 1.00 23.21 O ATOM 707 CB LYS A 45 -6.636 9.401 0.156 1.00 22.30 C ATOM 708 CG LYS A 45 -7.804 10.294 0.536 1.00 43.51 C ATOM 709 CD LYS A 45 -9.134 9.665 0.157 1.00 2.02 C ATOM 710 CE LYS A 45 -10.263 10.173 1.041 1.00 4.20 C ATOM 711 NZ LYS A 45 -11.130 9.064 1.525 1.00 75.02 N ATOM 0 H LYS A 45 -4.756 8.155 -0.835 1.00 32.23 H new ATOM 0 HA LYS A 45 -6.254 10.302 -1.758 1.00 52.14 H new ATOM 0 HB2 LYS A 45 -7.022 8.465 -0.248 1.00 22.30 H new ATOM 0 HB3 LYS A 45 -6.073 9.151 1.055 1.00 22.30 H new ATOM 0 HG2 LYS A 45 -7.783 10.484 1.609 1.00 43.51 H new ATOM 0 HG3 LYS A 45 -7.702 11.259 0.039 1.00 43.51 H new ATOM 0 HD2 LYS A 45 -9.359 9.888 -0.886 1.00 2.02 H new ATOM 0 HD3 LYS A 45 -9.063 8.581 0.243 1.00 2.02 H new ATOM 0 HE2 LYS A 45 -9.844 10.706 1.895 1.00 4.20 H new ATOM 0 HE3 LYS A 45 -10.867 10.889 0.483 1.00 4.20 H new ATOM 0 HZ1 LYS A 45 -11.887 9.451 2.124 1.00 75.02 H new ATOM 0 HZ2 LYS A 45 -11.550 8.571 0.711 1.00 75.02 H new ATOM 0 HZ3 LYS A 45 -10.559 8.394 2.079 1.00 75.02 H new ATOM 725 N GLU A 46 -3.853 11.167 0.242 1.00 44.12 N ATOM 726 CA GLU A 46 -3.149 12.302 0.829 1.00 34.51 C ATOM 727 C GLU A 46 -2.405 13.094 -0.242 1.00 14.11 C ATOM 728 O GLU A 46 -2.407 14.326 -0.232 1.00 71.43 O ATOM 729 CB GLU A 46 -2.167 11.822 1.899 1.00 5.24 C ATOM 730 CG GLU A 46 -2.567 12.213 3.312 1.00 20.31 C ATOM 731 CD GLU A 46 -1.430 12.062 4.304 1.00 44.24 C ATOM 732 OE1 GLU A 46 -1.188 13.013 5.077 1.00 63.22 O ATOM 733 OE2 GLU A 46 -0.782 10.995 4.306 1.00 24.14 O ATOM 0 H GLU A 46 -3.337 10.288 0.275 1.00 44.12 H new ATOM 0 HA GLU A 46 -3.888 12.956 1.291 1.00 34.51 H new ATOM 0 HB2 GLU A 46 -2.082 10.737 1.842 1.00 5.24 H new ATOM 0 HB3 GLU A 46 -1.180 12.231 1.684 1.00 5.24 H new ATOM 0 HG2 GLU A 46 -2.912 13.247 3.315 1.00 20.31 H new ATOM 0 HG3 GLU A 46 -3.407 11.596 3.631 1.00 20.31 H new ATOM 740 N HIS A 47 -1.769 12.379 -1.164 1.00 74.23 N ATOM 741 CA HIS A 47 -1.021 13.015 -2.243 1.00 22.52 C ATOM 742 C HIS A 47 -1.964 13.684 -3.238 1.00 11.24 C ATOM 743 O HIS A 47 -1.733 14.817 -3.662 1.00 23.33 O ATOM 744 CB HIS A 47 -0.149 11.985 -2.962 1.00 41.25 C ATOM 745 CG HIS A 47 1.037 12.584 -3.654 1.00 23.42 C ATOM 746 ND1 HIS A 47 0.978 13.765 -4.363 1.00 24.04 N ATOM 747 CD2 HIS A 47 2.319 12.158 -3.741 1.00 22.13 C ATOM 748 CE1 HIS A 47 2.172 14.039 -4.857 1.00 44.10 C ATOM 749 NE2 HIS A 47 3.004 13.080 -4.494 1.00 22.43 N ATOM 0 H HIS A 47 -1.756 11.359 -1.186 1.00 74.23 H new ATOM 0 HA HIS A 47 -0.381 13.781 -1.806 1.00 22.52 H new ATOM 0 HB2 HIS A 47 0.197 11.246 -2.239 1.00 41.25 H new ATOM 0 HB3 HIS A 47 -0.757 11.454 -3.694 1.00 41.25 H new ATOM 0 HD1 HIS A 47 0.143 14.338 -4.487 1.00 24.04 H new ATOM 0 HD2 HIS A 47 2.727 11.260 -3.300 1.00 22.13 H new ATOM 0 HE1 HIS A 47 2.425 14.901 -5.456 1.00 44.10 H new ATOM 757 N TYR A 48 -3.026 12.977 -3.606 1.00 14.10 N ATOM 758 CA TYR A 48 -4.003 13.502 -4.553 1.00 62.23 C ATOM 759 C TYR A 48 -4.493 14.881 -4.123 1.00 20.12 C ATOM 760 O TYR A 48 -4.953 15.672 -4.945 1.00 43.32 O ATOM 761 CB TYR A 48 -5.188 12.543 -4.680 1.00 12.44 C ATOM 762 CG TYR A 48 -4.980 11.455 -5.708 1.00 51.24 C ATOM 763 CD1 TYR A 48 -6.062 10.846 -6.332 1.00 30.41 C ATOM 764 CD2 TYR A 48 -3.702 11.036 -6.056 1.00 71.24 C ATOM 765 CE1 TYR A 48 -5.877 9.850 -7.272 1.00 41.41 C ATOM 766 CE2 TYR A 48 -3.508 10.042 -6.996 1.00 44.44 C ATOM 767 CZ TYR A 48 -4.598 9.453 -7.601 1.00 61.33 C ATOM 768 OH TYR A 48 -4.408 8.462 -8.537 1.00 73.21 O ATOM 0 H TYR A 48 -3.233 12.039 -3.263 1.00 14.10 H new ATOM 0 HA TYR A 48 -3.516 13.597 -5.523 1.00 62.23 H new ATOM 0 HB2 TYR A 48 -5.378 12.083 -3.710 1.00 12.44 H new ATOM 0 HB3 TYR A 48 -6.079 13.113 -4.942 1.00 12.44 H new ATOM 0 HD1 TYR A 48 -7.065 11.156 -6.078 1.00 30.41 H new ATOM 0 HD2 TYR A 48 -2.846 11.495 -5.584 1.00 71.24 H new ATOM 0 HE1 TYR A 48 -6.729 9.385 -7.746 1.00 41.41 H new ATOM 0 HE2 TYR A 48 -2.508 9.728 -7.255 1.00 44.44 H new ATOM 0 HH TYR A 48 -3.756 8.763 -9.204 1.00 73.21 H new ATOM 778 N GLU A 49 -4.390 15.161 -2.827 1.00 71.52 N ATOM 779 CA GLU A 49 -4.823 16.444 -2.287 1.00 20.34 C ATOM 780 C GLU A 49 -4.106 17.597 -2.982 1.00 44.02 C ATOM 781 O GLU A 49 -4.580 18.733 -2.975 1.00 42.23 O ATOM 782 CB GLU A 49 -4.563 16.501 -0.780 1.00 2.41 C ATOM 783 CG GLU A 49 -5.375 15.494 0.017 1.00 3.31 C ATOM 784 CD GLU A 49 -6.004 16.102 1.256 1.00 63.40 C ATOM 785 OE1 GLU A 49 -6.764 17.083 1.115 1.00 64.34 O ATOM 786 OE2 GLU A 49 -5.736 15.597 2.366 1.00 34.42 O ATOM 0 H GLU A 49 -4.011 14.517 -2.133 1.00 71.52 H new ATOM 0 HA GLU A 49 -5.893 16.543 -2.468 1.00 20.34 H new ATOM 0 HB2 GLU A 49 -3.503 16.327 -0.596 1.00 2.41 H new ATOM 0 HB3 GLU A 49 -4.789 17.504 -0.419 1.00 2.41 H new ATOM 0 HG2 GLU A 49 -6.158 15.080 -0.618 1.00 3.31 H new ATOM 0 HG3 GLU A 49 -4.731 14.665 0.310 1.00 3.31 H new ATOM 793 N LYS A 50 -2.959 17.297 -3.582 1.00 63.32 N ATOM 794 CA LYS A 50 -2.174 18.306 -4.284 1.00 13.14 C ATOM 795 C LYS A 50 -2.613 18.421 -5.740 1.00 21.10 C ATOM 796 O LYS A 50 -2.397 19.447 -6.385 1.00 2.33 O ATOM 797 CB LYS A 50 -0.685 17.963 -4.214 1.00 4.00 C ATOM 798 CG LYS A 50 0.074 18.758 -3.165 1.00 63.24 C ATOM 799 CD LYS A 50 1.556 18.420 -3.174 1.00 12.11 C ATOM 800 CE LYS A 50 2.220 18.793 -1.857 1.00 72.42 C ATOM 801 NZ LYS A 50 3.002 20.055 -1.968 1.00 12.11 N ATOM 0 H LYS A 50 -2.552 16.362 -3.596 1.00 63.32 H new ATOM 0 HA LYS A 50 -2.342 19.266 -3.796 1.00 13.14 H new ATOM 0 HB2 LYS A 50 -0.575 16.900 -4.001 1.00 4.00 H new ATOM 0 HB3 LYS A 50 -0.233 18.141 -5.190 1.00 4.00 H new ATOM 0 HG2 LYS A 50 -0.058 19.824 -3.349 1.00 63.24 H new ATOM 0 HG3 LYS A 50 -0.342 18.551 -2.179 1.00 63.24 H new ATOM 0 HD2 LYS A 50 1.686 17.354 -3.359 1.00 12.11 H new ATOM 0 HD3 LYS A 50 2.046 18.948 -3.992 1.00 12.11 H new ATOM 0 HE2 LYS A 50 1.458 18.904 -1.085 1.00 72.42 H new ATOM 0 HE3 LYS A 50 2.879 17.984 -1.541 1.00 72.42 H new ATOM 0 HZ1 LYS A 50 3.439 20.275 -1.050 1.00 12.11 H new ATOM 0 HZ2 LYS A 50 3.745 19.941 -2.687 1.00 12.11 H new ATOM 0 HZ3 LYS A 50 2.369 20.832 -2.245 1.00 12.11 H new ATOM 815 N PHE A 51 -3.231 17.362 -6.252 1.00 70.13 N ATOM 816 CA PHE A 51 -3.701 17.344 -7.633 1.00 4.42 C ATOM 817 C PHE A 51 -5.063 18.021 -7.752 1.00 72.43 C ATOM 818 O PHE A 51 -5.293 18.820 -8.660 1.00 31.55 O ATOM 819 CB PHE A 51 -3.786 15.906 -8.147 1.00 22.34 C ATOM 820 CG PHE A 51 -3.200 15.723 -9.518 1.00 12.23 C ATOM 821 CD1 PHE A 51 -2.099 14.905 -9.712 1.00 34.30 C ATOM 822 CD2 PHE A 51 -3.750 16.371 -10.612 1.00 75.32 C ATOM 823 CE1 PHE A 51 -1.558 14.734 -10.972 1.00 53.34 C ATOM 824 CE2 PHE A 51 -3.214 16.204 -11.875 1.00 30.21 C ATOM 825 CZ PHE A 51 -2.116 15.386 -12.055 1.00 61.41 C ATOM 0 H PHE A 51 -3.418 16.505 -5.732 1.00 70.13 H new ATOM 0 HA PHE A 51 -2.986 17.897 -8.241 1.00 4.42 H new ATOM 0 HB2 PHE A 51 -3.269 15.248 -7.449 1.00 22.34 H new ATOM 0 HB3 PHE A 51 -4.831 15.596 -8.163 1.00 22.34 H new ATOM 0 HD1 PHE A 51 -1.658 14.395 -8.868 1.00 34.30 H new ATOM 0 HD2 PHE A 51 -4.607 17.014 -10.476 1.00 75.32 H new ATOM 0 HE1 PHE A 51 -0.701 14.092 -11.110 1.00 53.34 H new ATOM 0 HE2 PHE A 51 -3.653 16.713 -12.720 1.00 30.21 H new ATOM 0 HZ PHE A 51 -1.694 15.256 -13.041 1.00 61.41 H new ATOM 835 N GLU A 52 -5.963 17.693 -6.830 1.00 2.21 N ATOM 836 CA GLU A 52 -7.303 18.268 -6.833 1.00 20.21 C ATOM 837 C GLU A 52 -7.242 19.791 -6.912 1.00 21.52 C ATOM 838 O GLU A 52 -7.972 20.414 -7.683 1.00 32.25 O ATOM 839 CB GLU A 52 -8.068 17.841 -5.578 1.00 44.40 C ATOM 840 CG GLU A 52 -7.210 17.811 -4.324 1.00 14.01 C ATOM 841 CD GLU A 52 -7.879 18.489 -3.144 1.00 20.23 C ATOM 842 OE1 GLU A 52 -7.508 19.641 -2.834 1.00 33.42 O ATOM 843 OE2 GLU A 52 -8.772 17.868 -2.530 1.00 40.21 O ATOM 0 H GLU A 52 -5.789 17.033 -6.072 1.00 2.21 H new ATOM 0 HA GLU A 52 -7.828 17.897 -7.713 1.00 20.21 H new ATOM 0 HB2 GLU A 52 -8.902 18.524 -5.421 1.00 44.40 H new ATOM 0 HB3 GLU A 52 -8.493 16.851 -5.741 1.00 44.40 H new ATOM 0 HG2 GLU A 52 -6.987 16.776 -4.065 1.00 14.01 H new ATOM 0 HG3 GLU A 52 -6.258 18.301 -4.528 1.00 14.01 H new ATOM 850 N LYS A 53 -6.366 20.384 -6.108 1.00 63.13 N ATOM 851 CA LYS A 53 -6.207 21.833 -6.086 1.00 1.12 C ATOM 852 C LYS A 53 -5.923 22.371 -7.484 1.00 44.15 C ATOM 853 O LYS A 53 -6.246 23.517 -7.796 1.00 73.34 O ATOM 854 CB LYS A 53 -5.074 22.228 -5.136 1.00 23.11 C ATOM 855 CG LYS A 53 -5.482 22.238 -3.673 1.00 20.30 C ATOM 856 CD LYS A 53 -4.299 22.530 -2.766 1.00 3.42 C ATOM 857 CE LYS A 53 -4.704 23.396 -1.583 1.00 11.31 C ATOM 858 NZ LYS A 53 -3.777 24.546 -1.394 1.00 2.14 N ATOM 0 H LYS A 53 -5.755 19.883 -5.463 1.00 63.13 H new ATOM 0 HA LYS A 53 -7.140 22.270 -5.731 1.00 1.12 H new ATOM 0 HB2 LYS A 53 -4.243 21.535 -5.268 1.00 23.11 H new ATOM 0 HB3 LYS A 53 -4.710 23.218 -5.410 1.00 23.11 H new ATOM 0 HG2 LYS A 53 -6.256 22.989 -3.515 1.00 20.30 H new ATOM 0 HG3 LYS A 53 -5.915 21.273 -3.409 1.00 20.30 H new ATOM 0 HD2 LYS A 53 -3.876 21.593 -2.404 1.00 3.42 H new ATOM 0 HD3 LYS A 53 -3.518 23.033 -3.336 1.00 3.42 H new ATOM 0 HE2 LYS A 53 -5.717 23.768 -1.735 1.00 11.31 H new ATOM 0 HE3 LYS A 53 -4.720 22.789 -0.677 1.00 11.31 H new ATOM 0 HZ1 LYS A 53 -4.087 25.112 -0.578 1.00 2.14 H new ATOM 0 HZ2 LYS A 53 -2.814 24.191 -1.223 1.00 2.14 H new ATOM 0 HZ3 LYS A 53 -3.781 25.139 -2.248 1.00 2.14 H new ATOM 872 N MET A 54 -5.317 21.536 -8.323 1.00 12.41 N ATOM 873 CA MET A 54 -4.992 21.929 -9.689 1.00 74.54 C ATOM 874 C MET A 54 -6.153 21.628 -10.632 1.00 35.41 C ATOM 875 O MET A 54 -6.284 22.247 -11.688 1.00 62.02 O ATOM 876 CB MET A 54 -3.733 21.202 -10.165 1.00 44.53 C ATOM 877 CG MET A 54 -2.499 22.089 -10.205 1.00 44.22 C ATOM 878 SD MET A 54 -1.129 21.333 -11.101 1.00 42.24 S ATOM 879 CE MET A 54 -0.330 22.783 -11.785 1.00 0.31 C ATOM 0 H MET A 54 -5.042 20.584 -8.081 1.00 12.41 H new ATOM 0 HA MET A 54 -4.809 23.003 -9.698 1.00 74.54 H new ATOM 0 HB2 MET A 54 -3.541 20.355 -9.506 1.00 44.53 H new ATOM 0 HB3 MET A 54 -3.912 20.797 -11.161 1.00 44.53 H new ATOM 0 HG2 MET A 54 -2.754 23.039 -10.674 1.00 44.22 H new ATOM 0 HG3 MET A 54 -2.183 22.311 -9.186 1.00 44.22 H new ATOM 0 HE1 MET A 54 0.539 22.478 -12.368 1.00 0.31 H new ATOM 0 HE2 MET A 54 -1.031 23.315 -12.429 1.00 0.31 H new ATOM 0 HE3 MET A 54 -0.011 23.439 -10.975 1.00 0.31 H new ATOM 889 N ILE A 55 -6.993 20.674 -10.243 1.00 52.13 N ATOM 890 CA ILE A 55 -8.143 20.293 -11.054 1.00 31.33 C ATOM 891 C ILE A 55 -9.030 21.497 -11.350 1.00 73.03 C ATOM 892 O ILE A 55 -9.215 21.873 -12.507 1.00 55.14 O ATOM 893 CB ILE A 55 -8.986 19.207 -10.359 1.00 71.12 C ATOM 894 CG1 ILE A 55 -8.196 17.900 -10.263 1.00 45.41 C ATOM 895 CG2 ILE A 55 -10.291 18.989 -11.110 1.00 72.41 C ATOM 896 CD1 ILE A 55 -8.986 16.758 -9.664 1.00 53.43 C ATOM 0 H ILE A 55 -6.899 20.151 -9.372 1.00 52.13 H new ATOM 0 HA ILE A 55 -7.751 19.895 -11.990 1.00 31.33 H new ATOM 0 HB ILE A 55 -9.222 19.542 -9.349 1.00 71.12 H new ATOM 0 HG12 ILE A 55 -7.859 17.615 -11.260 1.00 45.41 H new ATOM 0 HG13 ILE A 55 -7.303 18.068 -9.661 1.00 45.41 H new ATOM 0 HG21 ILE A 55 -10.876 18.219 -10.607 1.00 72.41 H new ATOM 0 HG22 ILE A 55 -10.858 19.920 -11.131 1.00 72.41 H new ATOM 0 HG23 ILE A 55 -10.075 18.672 -12.130 1.00 72.41 H new ATOM 0 HD11 ILE A 55 -8.363 15.864 -9.627 1.00 53.43 H new ATOM 0 HD12 ILE A 55 -9.300 17.023 -8.654 1.00 53.43 H new ATOM 0 HD13 ILE A 55 -9.865 16.562 -10.278 1.00 53.43 H new ATOM 908 N GLN A 56 -9.574 22.098 -10.297 1.00 74.11 N ATOM 909 CA GLN A 56 -10.441 23.261 -10.445 1.00 74.12 C ATOM 910 C GLN A 56 -9.638 24.489 -10.861 1.00 74.15 C ATOM 911 O GLN A 56 -10.201 25.482 -11.321 1.00 5.53 O ATOM 912 CB GLN A 56 -11.182 23.541 -9.137 1.00 34.14 C ATOM 913 CG GLN A 56 -12.240 22.502 -8.802 1.00 74.22 C ATOM 914 CD GLN A 56 -12.838 22.701 -7.423 1.00 73.54 C ATOM 915 OE1 GLN A 56 -12.846 21.785 -6.600 1.00 5.45 O ATOM 916 NE2 GLN A 56 -13.344 23.901 -7.164 1.00 61.34 N ATOM 0 H GLN A 56 -9.430 21.799 -9.332 1.00 74.11 H new ATOM 0 HA GLN A 56 -11.169 23.043 -11.227 1.00 74.12 H new ATOM 0 HB2 GLN A 56 -10.459 23.587 -8.322 1.00 34.14 H new ATOM 0 HB3 GLN A 56 -11.654 24.521 -9.200 1.00 34.14 H new ATOM 0 HG2 GLN A 56 -13.034 22.544 -9.548 1.00 74.22 H new ATOM 0 HG3 GLN A 56 -11.799 21.507 -8.862 1.00 74.22 H new ATOM 0 HE21 GLN A 56 -13.316 24.631 -7.876 1.00 61.34 H new ATOM 0 HE22 GLN A 56 -13.761 24.093 -6.253 1.00 61.34 H new ATOM 925 N GLU A 57 -8.321 24.413 -10.697 1.00 35.40 N ATOM 926 CA GLU A 57 -7.442 25.519 -11.055 1.00 12.40 C ATOM 927 C GLU A 57 -7.453 25.757 -12.562 1.00 63.13 C ATOM 928 O GLU A 57 -7.659 26.880 -13.024 1.00 34.22 O ATOM 929 CB GLU A 57 -6.014 25.239 -10.582 1.00 14.23 C ATOM 930 CG GLU A 57 -5.288 26.474 -10.074 1.00 71.33 C ATOM 931 CD GLU A 57 -3.782 26.364 -10.216 1.00 54.33 C ATOM 932 OE1 GLU A 57 -3.269 25.226 -10.225 1.00 72.33 O ATOM 933 OE2 GLU A 57 -3.117 27.416 -10.318 1.00 55.22 O ATOM 0 H GLU A 57 -7.840 23.597 -10.319 1.00 35.40 H new ATOM 0 HA GLU A 57 -7.811 26.417 -10.560 1.00 12.40 H new ATOM 0 HB2 GLU A 57 -6.043 24.493 -9.788 1.00 14.23 H new ATOM 0 HB3 GLU A 57 -5.446 24.807 -11.405 1.00 14.23 H new ATOM 0 HG2 GLU A 57 -5.638 27.348 -10.623 1.00 71.33 H new ATOM 0 HG3 GLU A 57 -5.540 26.634 -9.026 1.00 71.33 H new ATOM 940 N HIS A 58 -7.228 24.692 -13.325 1.00 23.40 N ATOM 941 CA HIS A 58 -7.211 24.783 -14.781 1.00 0.24 C ATOM 942 C HIS A 58 -6.634 23.513 -15.398 1.00 42.23 C ATOM 943 O HIS A 58 -5.906 23.567 -16.390 1.00 52.35 O ATOM 944 CB HIS A 58 -6.396 25.997 -15.227 1.00 1.40 C ATOM 945 CG HIS A 58 -5.130 26.187 -14.450 1.00 45.12 C ATOM 946 ND1 HIS A 58 -4.664 27.425 -14.061 1.00 44.21 N ATOM 947 CD2 HIS A 58 -4.231 25.286 -13.988 1.00 42.45 C ATOM 948 CE1 HIS A 58 -3.532 27.278 -13.395 1.00 72.02 C ATOM 949 NE2 HIS A 58 -3.248 25.989 -13.337 1.00 3.54 N ATOM 0 H HIS A 58 -7.055 23.756 -12.959 1.00 23.40 H new ATOM 0 HA HIS A 58 -8.239 24.898 -15.126 1.00 0.24 H new ATOM 0 HB2 HIS A 58 -6.151 25.892 -16.284 1.00 1.40 H new ATOM 0 HB3 HIS A 58 -7.010 26.892 -15.130 1.00 1.40 H new ATOM 0 HD2 HIS A 58 -4.279 24.214 -14.109 1.00 42.45 H new ATOM 0 HE1 HIS A 58 -2.940 28.075 -12.971 1.00 72.02 H new ATOM 0 HE2 HIS A 58 -2.431 25.582 -12.882 1.00 3.54 H new ATOM 957 N THR A 59 -6.962 22.370 -14.805 1.00 32.24 N ATOM 958 CA THR A 59 -6.475 21.087 -15.295 1.00 33.41 C ATOM 959 C THR A 59 -7.372 20.545 -16.402 1.00 34.43 C ATOM 960 O THR A 59 -6.924 19.788 -17.263 1.00 23.44 O ATOM 961 CB THR A 59 -6.392 20.047 -14.161 1.00 75.03 C ATOM 962 OG1 THR A 59 -5.115 19.400 -14.182 1.00 51.31 O ATOM 963 CG2 THR A 59 -7.495 19.008 -14.299 1.00 21.24 C ATOM 0 H THR A 59 -7.564 22.307 -13.984 1.00 32.24 H new ATOM 0 HA THR A 59 -5.475 21.260 -15.693 1.00 33.41 H new ATOM 0 HB THR A 59 -6.520 20.566 -13.211 1.00 75.03 H new ATOM 0 HG1 THR A 59 -4.407 20.075 -14.249 1.00 51.31 H new ATOM 0 HG21 THR A 59 -7.417 18.284 -13.488 1.00 21.24 H new ATOM 0 HG22 THR A 59 -8.466 19.500 -14.253 1.00 21.24 H new ATOM 0 HG23 THR A 59 -7.393 18.494 -15.255 1.00 21.24 H new ATOM 971 N ASP A 60 -8.641 20.937 -16.374 1.00 32.14 N ATOM 972 CA ASP A 60 -9.602 20.491 -17.377 1.00 3.45 C ATOM 973 C ASP A 60 -9.150 20.892 -18.777 1.00 65.54 C ATOM 974 O ASP A 60 -9.425 20.194 -19.754 1.00 32.23 O ATOM 975 CB ASP A 60 -10.984 21.078 -17.086 1.00 42.41 C ATOM 976 CG ASP A 60 -10.951 22.586 -16.928 1.00 71.20 C ATOM 977 OD1 ASP A 60 -10.472 23.062 -15.878 1.00 5.42 O ATOM 978 OD2 ASP A 60 -11.404 23.289 -17.855 1.00 12.11 O ATOM 0 H ASP A 60 -9.028 21.563 -15.668 1.00 32.14 H new ATOM 0 HA ASP A 60 -9.661 19.404 -17.331 1.00 3.45 H new ATOM 0 HB2 ASP A 60 -11.665 20.815 -17.896 1.00 42.41 H new ATOM 0 HB3 ASP A 60 -11.382 20.629 -16.176 1.00 42.41 H new ATOM 983 N LYS A 61 -8.454 22.020 -18.869 1.00 53.14 N ATOM 984 CA LYS A 61 -7.963 22.515 -20.150 1.00 71.51 C ATOM 985 C LYS A 61 -6.635 21.859 -20.513 1.00 63.32 C ATOM 986 O LYS A 61 -6.322 21.676 -21.690 1.00 74.10 O ATOM 987 CB LYS A 61 -7.797 24.035 -20.104 1.00 14.25 C ATOM 988 CG LYS A 61 -6.517 24.487 -19.423 1.00 64.25 C ATOM 989 CD LYS A 61 -6.671 25.865 -18.803 1.00 1.22 C ATOM 990 CE LYS A 61 -7.000 26.916 -19.853 1.00 22.53 C ATOM 991 NZ LYS A 61 -6.354 28.223 -19.550 1.00 54.13 N ATOM 0 H LYS A 61 -8.217 22.609 -18.071 1.00 53.14 H new ATOM 0 HA LYS A 61 -8.696 22.259 -20.915 1.00 71.51 H new ATOM 0 HB2 LYS A 61 -7.814 24.425 -21.122 1.00 14.25 H new ATOM 0 HB3 LYS A 61 -8.649 24.469 -19.582 1.00 14.25 H new ATOM 0 HG2 LYS A 61 -6.242 23.769 -18.651 1.00 64.25 H new ATOM 0 HG3 LYS A 61 -5.704 24.503 -20.149 1.00 64.25 H new ATOM 0 HD2 LYS A 61 -7.460 25.841 -18.051 1.00 1.22 H new ATOM 0 HD3 LYS A 61 -5.750 26.139 -18.289 1.00 1.22 H new ATOM 0 HE2 LYS A 61 -6.672 26.567 -20.832 1.00 22.53 H new ATOM 0 HE3 LYS A 61 -8.080 27.049 -19.908 1.00 22.53 H new ATOM 0 HZ1 LYS A 61 -6.602 28.912 -20.288 1.00 54.13 H new ATOM 0 HZ2 LYS A 61 -6.686 28.569 -18.627 1.00 54.13 H new ATOM 0 HZ3 LYS A 61 -5.321 28.102 -19.523 1.00 54.13 H new ATOM 1005 N PHE A 62 -5.857 21.505 -19.495 1.00 43.44 N ATOM 1006 CA PHE A 62 -4.562 20.869 -19.708 1.00 1.12 C ATOM 1007 C PHE A 62 -4.734 19.411 -20.125 1.00 51.51 C ATOM 1008 O PHE A 62 -4.125 18.956 -21.092 1.00 74.31 O ATOM 1009 CB PHE A 62 -3.715 20.951 -18.436 1.00 70.31 C ATOM 1010 CG PHE A 62 -2.267 21.254 -18.698 1.00 75.13 C ATOM 1011 CD1 PHE A 62 -1.604 20.663 -19.762 1.00 2.45 C ATOM 1012 CD2 PHE A 62 -1.570 22.129 -17.881 1.00 13.00 C ATOM 1013 CE1 PHE A 62 -0.272 20.941 -20.006 1.00 21.52 C ATOM 1014 CE2 PHE A 62 -0.239 22.410 -18.121 1.00 4.34 C ATOM 1015 CZ PHE A 62 0.412 21.814 -19.183 1.00 52.45 C ATOM 0 H PHE A 62 -6.101 21.648 -18.515 1.00 43.44 H new ATOM 0 HA PHE A 62 -4.052 21.400 -20.511 1.00 1.12 H new ATOM 0 HB2 PHE A 62 -4.127 21.721 -17.784 1.00 70.31 H new ATOM 0 HB3 PHE A 62 -3.789 20.006 -17.899 1.00 70.31 H new ATOM 0 HD1 PHE A 62 -2.134 19.978 -20.407 1.00 2.45 H new ATOM 0 HD2 PHE A 62 -2.073 22.597 -17.047 1.00 13.00 H new ATOM 0 HE1 PHE A 62 0.233 20.476 -20.840 1.00 21.52 H new ATOM 0 HE2 PHE A 62 0.293 23.096 -17.478 1.00 4.34 H new ATOM 0 HZ PHE A 62 1.454 22.030 -19.370 1.00 52.45 H new ATOM 1025 N ASN A 63 -5.568 18.686 -19.387 1.00 61.43 N ATOM 1026 CA ASN A 63 -5.820 17.279 -19.679 1.00 50.12 C ATOM 1027 C ASN A 63 -6.245 17.093 -21.133 1.00 23.23 C ATOM 1028 O ASN A 63 -6.111 16.006 -21.696 1.00 51.30 O ATOM 1029 CB ASN A 63 -6.900 16.729 -18.746 1.00 34.20 C ATOM 1030 CG ASN A 63 -7.543 15.466 -19.286 1.00 62.15 C ATOM 1031 OD1 ASN A 63 -8.757 15.407 -19.478 1.00 54.13 O ATOM 1032 ND2 ASN A 63 -6.728 14.447 -19.535 1.00 3.25 N ATOM 0 H ASN A 63 -6.080 19.049 -18.583 1.00 61.43 H new ATOM 0 HA ASN A 63 -4.894 16.728 -19.516 1.00 50.12 H new ATOM 0 HB2 ASN A 63 -6.462 16.521 -17.770 1.00 34.20 H new ATOM 0 HB3 ASN A 63 -7.667 17.488 -18.596 1.00 34.20 H new ATOM 0 HD21 ASN A 63 -7.103 13.572 -19.900 1.00 3.25 H new ATOM 0 HD22 ASN A 63 -5.727 14.540 -19.361 1.00 3.25 H new ATOM 1039 N LYS A 64 -6.757 18.161 -21.735 1.00 63.32 N ATOM 1040 CA LYS A 64 -7.200 18.118 -23.124 1.00 23.54 C ATOM 1041 C LYS A 64 -6.008 18.131 -24.076 1.00 20.34 C ATOM 1042 O LYS A 64 -6.005 17.437 -25.093 1.00 22.12 O ATOM 1043 CB LYS A 64 -8.119 19.303 -23.424 1.00 52.42 C ATOM 1044 CG LYS A 64 -9.553 18.901 -23.724 1.00 64.34 C ATOM 1045 CD LYS A 64 -10.496 19.326 -22.612 1.00 10.22 C ATOM 1046 CE LYS A 64 -11.840 18.623 -22.722 1.00 13.15 C ATOM 1047 NZ LYS A 64 -12.972 19.590 -22.742 1.00 12.54 N ATOM 0 H LYS A 64 -6.876 19.068 -21.283 1.00 63.32 H new ATOM 0 HA LYS A 64 -7.752 17.191 -23.275 1.00 23.54 H new ATOM 0 HB2 LYS A 64 -8.112 19.982 -22.572 1.00 52.42 H new ATOM 0 HB3 LYS A 64 -7.720 19.855 -24.275 1.00 52.42 H new ATOM 0 HG2 LYS A 64 -9.870 19.354 -24.664 1.00 64.34 H new ATOM 0 HG3 LYS A 64 -9.609 17.820 -23.856 1.00 64.34 H new ATOM 0 HD2 LYS A 64 -10.045 19.102 -21.645 1.00 10.22 H new ATOM 0 HD3 LYS A 64 -10.644 20.405 -22.652 1.00 10.22 H new ATOM 0 HE2 LYS A 64 -11.861 18.020 -23.630 1.00 13.15 H new ATOM 0 HE3 LYS A 64 -11.962 17.939 -21.882 1.00 13.15 H new ATOM 0 HZ1 LYS A 64 -13.870 19.071 -22.818 1.00 12.54 H new ATOM 0 HZ2 LYS A 64 -12.967 20.148 -21.864 1.00 12.54 H new ATOM 0 HZ3 LYS A 64 -12.870 20.227 -23.558 1.00 12.54 H new ATOM 1061 N LYS A 65 -4.996 18.923 -23.739 1.00 11.03 N ATOM 1062 CA LYS A 65 -3.797 19.025 -24.561 1.00 64.14 C ATOM 1063 C LYS A 65 -2.808 17.914 -24.222 1.00 72.42 C ATOM 1064 O LYS A 65 -2.242 17.281 -25.113 1.00 2.10 O ATOM 1065 CB LYS A 65 -3.133 20.390 -24.365 1.00 22.31 C ATOM 1066 CG LYS A 65 -2.915 20.756 -22.907 1.00 13.10 C ATOM 1067 CD LYS A 65 -2.201 22.090 -22.768 1.00 22.12 C ATOM 1068 CE LYS A 65 -0.752 21.996 -23.221 1.00 51.14 C ATOM 1069 NZ LYS A 65 -0.518 22.741 -24.489 1.00 55.53 N ATOM 0 H LYS A 65 -4.983 19.504 -22.901 1.00 11.03 H new ATOM 0 HA LYS A 65 -4.093 18.918 -25.605 1.00 64.14 H new ATOM 0 HB2 LYS A 65 -2.172 20.395 -24.880 1.00 22.31 H new ATOM 0 HB3 LYS A 65 -3.750 21.156 -24.835 1.00 22.31 H new ATOM 0 HG2 LYS A 65 -3.876 20.802 -22.395 1.00 13.10 H new ATOM 0 HG3 LYS A 65 -2.330 19.977 -22.419 1.00 13.10 H new ATOM 0 HD2 LYS A 65 -2.720 22.845 -23.359 1.00 22.12 H new ATOM 0 HD3 LYS A 65 -2.238 22.417 -21.729 1.00 22.12 H new ATOM 0 HE2 LYS A 65 -0.101 22.392 -22.442 1.00 51.14 H new ATOM 0 HE3 LYS A 65 -0.482 20.949 -23.360 1.00 51.14 H new ATOM 0 HZ1 LYS A 65 0.481 22.653 -24.764 1.00 55.53 H new ATOM 0 HZ2 LYS A 65 -1.120 22.347 -25.240 1.00 55.53 H new ATOM 0 HZ3 LYS A 65 -0.751 23.745 -24.350 1.00 55.53 H new ATOM 1083 N MET A 66 -2.607 17.681 -22.929 1.00 74.13 N ATOM 1084 CA MET A 66 -1.689 16.644 -22.474 1.00 32.54 C ATOM 1085 C MET A 66 -2.279 15.256 -22.705 1.00 64.21 C ATOM 1086 O MET A 66 -1.605 14.244 -22.509 1.00 44.41 O ATOM 1087 CB MET A 66 -1.368 16.833 -20.990 1.00 22.11 C ATOM 1088 CG MET A 66 -0.191 17.761 -20.737 1.00 13.44 C ATOM 1089 SD MET A 66 1.352 16.869 -20.467 1.00 2.13 S ATOM 1090 CE MET A 66 2.551 18.133 -20.884 1.00 61.41 C ATOM 0 H MET A 66 -3.067 18.196 -22.179 1.00 74.13 H new ATOM 0 HA MET A 66 -0.769 16.729 -23.052 1.00 32.54 H new ATOM 0 HB2 MET A 66 -2.248 17.229 -20.484 1.00 22.11 H new ATOM 0 HB3 MET A 66 -1.156 15.861 -20.546 1.00 22.11 H new ATOM 0 HG2 MET A 66 -0.074 18.433 -21.587 1.00 13.44 H new ATOM 0 HG3 MET A 66 -0.404 18.382 -19.867 1.00 13.44 H new ATOM 0 HE1 MET A 66 3.558 17.733 -20.766 1.00 61.41 H new ATOM 0 HE2 MET A 66 2.404 18.447 -21.917 1.00 61.41 H new ATOM 0 HE3 MET A 66 2.421 18.990 -20.223 1.00 61.41 H new ATOM 1100 N ARG A 67 -3.540 15.216 -23.123 1.00 23.54 N ATOM 1101 CA ARG A 67 -4.220 13.952 -23.379 1.00 64.41 C ATOM 1102 C ARG A 67 -3.436 13.106 -24.379 1.00 20.24 C ATOM 1103 O ARG A 67 -3.585 11.885 -24.423 1.00 45.24 O ATOM 1104 CB ARG A 67 -5.633 14.206 -23.907 1.00 45.13 C ATOM 1105 CG ARG A 67 -6.719 13.523 -23.093 1.00 53.40 C ATOM 1106 CD ARG A 67 -7.497 12.521 -23.932 1.00 12.35 C ATOM 1107 NE ARG A 67 -6.615 11.585 -24.624 1.00 13.24 N ATOM 1108 CZ ARG A 67 -7.007 10.816 -25.634 1.00 1.44 C ATOM 1109 NH1 ARG A 67 -8.259 10.873 -26.067 1.00 65.44 N ATOM 1110 NH2 ARG A 67 -6.145 9.990 -26.212 1.00 74.44 N ATOM 0 H ARG A 67 -4.111 16.044 -23.292 1.00 23.54 H new ATOM 0 HA ARG A 67 -4.284 13.406 -22.438 1.00 64.41 H new ATOM 0 HB2 ARG A 67 -5.820 15.280 -23.918 1.00 45.13 H new ATOM 0 HB3 ARG A 67 -5.693 13.861 -24.939 1.00 45.13 H new ATOM 0 HG2 ARG A 67 -6.270 13.014 -22.240 1.00 53.40 H new ATOM 0 HG3 ARG A 67 -7.402 14.273 -22.694 1.00 53.40 H new ATOM 0 HD2 ARG A 67 -8.183 11.967 -23.291 1.00 12.35 H new ATOM 0 HD3 ARG A 67 -8.105 13.055 -24.663 1.00 12.35 H new ATOM 0 HE ARG A 67 -5.645 11.518 -24.315 1.00 13.24 H new ATOM 0 HH11 ARG A 67 -8.923 11.508 -25.625 1.00 65.44 H new ATOM 0 HH12 ARG A 67 -8.558 10.282 -26.843 1.00 65.44 H new ATOM 0 HH21 ARG A 67 -5.181 9.945 -25.881 1.00 74.44 H new ATOM 0 HH22 ARG A 67 -6.446 9.400 -26.987 1.00 74.44 H new ATOM 1124 N GLU A 68 -2.603 13.764 -25.178 1.00 44.22 N ATOM 1125 CA GLU A 68 -1.797 13.072 -26.178 1.00 13.14 C ATOM 1126 C GLU A 68 -1.020 11.920 -25.547 1.00 73.13 C ATOM 1127 O GLU A 68 -0.725 10.922 -26.206 1.00 34.34 O ATOM 1128 CB GLU A 68 -0.829 14.048 -26.849 1.00 63.11 C ATOM 1129 CG GLU A 68 -0.958 14.089 -28.363 1.00 22.15 C ATOM 1130 CD GLU A 68 0.282 14.642 -29.039 1.00 73.50 C ATOM 1131 OE1 GLU A 68 0.304 14.689 -30.287 1.00 3.11 O ATOM 1132 OE2 GLU A 68 1.228 15.026 -28.321 1.00 65.25 O ATOM 0 H GLU A 68 -2.468 14.775 -25.153 1.00 44.22 H new ATOM 0 HA GLU A 68 -2.470 12.664 -26.932 1.00 13.14 H new ATOM 0 HB2 GLU A 68 -1.001 15.048 -26.451 1.00 63.11 H new ATOM 0 HB3 GLU A 68 0.192 13.771 -26.587 1.00 63.11 H new ATOM 0 HG2 GLU A 68 -1.152 13.083 -28.735 1.00 22.15 H new ATOM 0 HG3 GLU A 68 -1.819 14.701 -28.634 1.00 22.15 H new ATOM 1139 N HIS A 69 -0.691 12.066 -24.268 1.00 21.22 N ATOM 1140 CA HIS A 69 0.052 11.038 -23.548 1.00 30.25 C ATOM 1141 C HIS A 69 -0.872 10.241 -22.631 1.00 41.32 C ATOM 1142 O HIS A 69 -0.558 9.116 -22.244 1.00 34.32 O ATOM 1143 CB HIS A 69 1.178 11.671 -22.730 1.00 42.00 C ATOM 1144 CG HIS A 69 1.995 12.661 -23.502 1.00 65.42 C ATOM 1145 ND1 HIS A 69 3.255 12.380 -23.987 1.00 44.54 N ATOM 1146 CD2 HIS A 69 1.725 13.934 -23.874 1.00 22.31 C ATOM 1147 CE1 HIS A 69 3.726 13.439 -24.623 1.00 15.13 C ATOM 1148 NE2 HIS A 69 2.816 14.395 -24.569 1.00 10.33 N ATOM 0 H HIS A 69 -0.927 12.886 -23.709 1.00 21.22 H new ATOM 0 HA HIS A 69 0.484 10.357 -24.281 1.00 30.25 H new ATOM 0 HB2 HIS A 69 0.749 12.167 -21.859 1.00 42.00 H new ATOM 0 HB3 HIS A 69 1.833 10.883 -22.358 1.00 42.00 H new ATOM 0 HD2 HIS A 69 0.820 14.485 -23.663 1.00 22.31 H new ATOM 0 HE1 HIS A 69 4.690 13.510 -25.104 1.00 15.13 H new ATOM 0 HE2 HIS A 69 2.909 15.325 -24.977 1.00 10.33 H new ATOM 1156 N SER A 70 -2.011 10.833 -22.288 1.00 13.52 N ATOM 1157 CA SER A 70 -2.979 10.181 -21.413 1.00 64.02 C ATOM 1158 C SER A 70 -3.367 8.810 -21.959 1.00 44.22 C ATOM 1159 O SER A 70 -3.809 7.937 -21.214 1.00 61.41 O ATOM 1160 CB SER A 70 -4.226 11.052 -21.258 1.00 14.43 C ATOM 1161 OG SER A 70 -5.007 11.040 -22.440 1.00 54.51 O ATOM 0 H SER A 70 -2.287 11.763 -22.603 1.00 13.52 H new ATOM 0 HA SER A 70 -2.515 10.046 -20.436 1.00 64.02 H new ATOM 0 HB2 SER A 70 -4.823 10.692 -20.420 1.00 14.43 H new ATOM 0 HB3 SER A 70 -3.932 12.075 -21.023 1.00 14.43 H new ATOM 0 HG SER A 70 -4.418 10.982 -23.221 1.00 54.51 H new ATOM 1167 N GLU A 71 -3.197 8.631 -23.265 1.00 71.25 N ATOM 1168 CA GLU A 71 -3.530 7.367 -23.912 1.00 33.11 C ATOM 1169 C GLU A 71 -2.707 6.223 -23.327 1.00 0.01 C ATOM 1170 O GLU A 71 -3.255 5.220 -22.868 1.00 41.03 O ATOM 1171 CB GLU A 71 -3.292 7.462 -25.420 1.00 73.34 C ATOM 1172 CG GLU A 71 -4.252 6.618 -26.242 1.00 52.02 C ATOM 1173 CD GLU A 71 -4.289 7.030 -27.701 1.00 12.40 C ATOM 1174 OE1 GLU A 71 -5.138 7.874 -28.057 1.00 14.21 O ATOM 1175 OE2 GLU A 71 -3.470 6.510 -28.486 1.00 61.33 O ATOM 0 H GLU A 71 -2.831 9.344 -23.895 1.00 71.25 H new ATOM 0 HA GLU A 71 -4.585 7.162 -23.730 1.00 33.11 H new ATOM 0 HB2 GLU A 71 -3.382 8.504 -25.729 1.00 73.34 H new ATOM 0 HB3 GLU A 71 -2.270 7.152 -25.638 1.00 73.34 H new ATOM 0 HG2 GLU A 71 -3.960 5.570 -26.172 1.00 52.02 H new ATOM 0 HG3 GLU A 71 -5.254 6.699 -25.820 1.00 52.02 H new ATOM 1182 N HIS A 72 -1.387 6.381 -23.347 1.00 73.11 N ATOM 1183 CA HIS A 72 -0.487 5.362 -22.819 1.00 32.21 C ATOM 1184 C HIS A 72 -0.283 5.543 -21.318 1.00 21.32 C ATOM 1185 O HIS A 72 0.081 4.601 -20.613 1.00 1.44 O ATOM 1186 CB HIS A 72 0.860 5.418 -23.539 1.00 42.53 C ATOM 1187 CG HIS A 72 0.989 4.420 -24.648 1.00 70.12 C ATOM 1188 ND1 HIS A 72 1.354 3.107 -24.440 1.00 32.44 N ATOM 1189 CD2 HIS A 72 0.797 4.548 -25.982 1.00 4.41 C ATOM 1190 CE1 HIS A 72 1.383 2.471 -25.597 1.00 71.13 C ATOM 1191 NE2 HIS A 72 1.049 3.323 -26.549 1.00 54.43 N ATOM 0 H HIS A 72 -0.917 7.205 -23.723 1.00 73.11 H new ATOM 0 HA HIS A 72 -0.942 4.386 -22.991 1.00 32.21 H new ATOM 0 HB2 HIS A 72 1.005 6.420 -23.944 1.00 42.53 H new ATOM 0 HB3 HIS A 72 1.657 5.249 -22.815 1.00 42.53 H new ATOM 0 HD2 HIS A 72 0.501 5.446 -26.503 1.00 4.41 H new ATOM 0 HE1 HIS A 72 1.637 1.431 -25.740 1.00 71.13 H new ATOM 0 HE2 HIS A 72 0.988 3.106 -27.544 1.00 54.43 H new ATOM 1199 N PHE A 73 -0.519 6.758 -20.836 1.00 3.43 N ATOM 1200 CA PHE A 73 -0.359 7.063 -19.419 1.00 3.14 C ATOM 1201 C PHE A 73 -1.487 6.445 -18.599 1.00 34.04 C ATOM 1202 O PHE A 73 -1.245 5.746 -17.615 1.00 21.05 O ATOM 1203 CB PHE A 73 -0.326 8.577 -19.201 1.00 44.44 C ATOM 1204 CG PHE A 73 1.061 9.155 -19.220 1.00 14.42 C ATOM 1205 CD1 PHE A 73 1.840 9.083 -20.363 1.00 5.23 C ATOM 1206 CD2 PHE A 73 1.584 9.770 -18.094 1.00 10.51 C ATOM 1207 CE1 PHE A 73 3.116 9.614 -20.383 1.00 44.42 C ATOM 1208 CE2 PHE A 73 2.859 10.304 -18.109 1.00 31.24 C ATOM 1209 CZ PHE A 73 3.627 10.225 -19.254 1.00 75.42 C ATOM 0 H PHE A 73 -0.822 7.548 -21.406 1.00 3.43 H new ATOM 0 HA PHE A 73 0.586 6.634 -19.086 1.00 3.14 H new ATOM 0 HB2 PHE A 73 -0.923 9.061 -19.974 1.00 44.44 H new ATOM 0 HB3 PHE A 73 -0.795 8.809 -18.245 1.00 44.44 H new ATOM 0 HD1 PHE A 73 1.446 8.607 -21.249 1.00 5.23 H new ATOM 0 HD2 PHE A 73 0.989 9.833 -17.195 1.00 10.51 H new ATOM 0 HE1 PHE A 73 3.713 9.551 -21.281 1.00 44.42 H new ATOM 0 HE2 PHE A 73 3.254 10.783 -17.225 1.00 31.24 H new ATOM 0 HZ PHE A 73 4.624 10.640 -19.267 1.00 75.42 H new ATOM 1219 N LYS A 74 -2.723 6.708 -19.011 1.00 2.10 N ATOM 1220 CA LYS A 74 -3.891 6.179 -18.317 1.00 64.50 C ATOM 1221 C LYS A 74 -3.772 4.670 -18.125 1.00 3.00 C ATOM 1222 O LYS A 74 -4.342 4.107 -17.191 1.00 74.14 O ATOM 1223 CB LYS A 74 -5.165 6.505 -19.098 1.00 73.15 C ATOM 1224 CG LYS A 74 -6.402 5.803 -18.565 1.00 53.21 C ATOM 1225 CD LYS A 74 -7.669 6.570 -18.906 1.00 71.22 C ATOM 1226 CE LYS A 74 -8.894 5.669 -18.864 1.00 11.23 C ATOM 1227 NZ LYS A 74 -9.968 6.150 -19.776 1.00 40.24 N ATOM 0 H LYS A 74 -2.941 7.285 -19.823 1.00 2.10 H new ATOM 0 HA LYS A 74 -3.944 6.650 -17.335 1.00 64.50 H new ATOM 0 HB2 LYS A 74 -5.330 7.582 -19.074 1.00 73.15 H new ATOM 0 HB3 LYS A 74 -5.022 6.228 -20.142 1.00 73.15 H new ATOM 0 HG2 LYS A 74 -6.460 4.798 -18.984 1.00 53.21 H new ATOM 0 HG3 LYS A 74 -6.322 5.694 -17.483 1.00 53.21 H new ATOM 0 HD2 LYS A 74 -7.797 7.393 -18.203 1.00 71.22 H new ATOM 0 HD3 LYS A 74 -7.573 7.010 -19.899 1.00 71.22 H new ATOM 0 HE2 LYS A 74 -8.608 4.655 -19.143 1.00 11.23 H new ATOM 0 HE3 LYS A 74 -9.277 5.624 -17.844 1.00 11.23 H new ATOM 0 HZ1 LYS A 74 -10.785 5.509 -19.718 1.00 40.24 H new ATOM 0 HZ2 LYS A 74 -10.259 7.108 -19.495 1.00 40.24 H new ATOM 0 HZ3 LYS A 74 -9.611 6.169 -20.753 1.00 40.24 H new ATOM 1241 N ALA A 75 -3.026 4.022 -19.014 1.00 22.13 N ATOM 1242 CA ALA A 75 -2.829 2.580 -18.939 1.00 74.53 C ATOM 1243 C ALA A 75 -1.666 2.231 -18.017 1.00 70.32 C ATOM 1244 O ALA A 75 -1.661 1.179 -17.377 1.00 12.00 O ATOM 1245 CB ALA A 75 -2.594 2.007 -20.329 1.00 70.41 C ATOM 0 H ALA A 75 -2.548 4.473 -19.794 1.00 22.13 H new ATOM 0 HA ALA A 75 -3.733 2.136 -18.523 1.00 74.53 H new ATOM 0 HB1 ALA A 75 -2.448 0.929 -20.258 1.00 70.41 H new ATOM 0 HB2 ALA A 75 -3.458 2.216 -20.960 1.00 70.41 H new ATOM 0 HB3 ALA A 75 -1.707 2.465 -20.766 1.00 70.41 H new ATOM 1251 N LYS A 76 -0.680 3.119 -17.954 1.00 51.14 N ATOM 1252 CA LYS A 76 0.490 2.906 -17.110 1.00 54.32 C ATOM 1253 C LYS A 76 0.075 2.534 -15.690 1.00 63.43 C ATOM 1254 O LYS A 76 0.716 1.705 -15.043 1.00 70.24 O ATOM 1255 CB LYS A 76 1.361 4.164 -17.085 1.00 25.20 C ATOM 1256 CG LYS A 76 2.790 3.905 -16.638 1.00 71.44 C ATOM 1257 CD LYS A 76 3.670 3.480 -17.802 1.00 74.23 C ATOM 1258 CE LYS A 76 5.116 3.899 -17.589 1.00 62.35 C ATOM 1259 NZ LYS A 76 5.836 2.964 -16.681 1.00 65.13 N ATOM 0 H LYS A 76 -0.668 3.994 -18.478 1.00 51.14 H new ATOM 0 HA LYS A 76 1.066 2.081 -17.530 1.00 54.32 H new ATOM 0 HB2 LYS A 76 1.375 4.606 -18.081 1.00 25.20 H new ATOM 0 HB3 LYS A 76 0.907 4.897 -16.418 1.00 25.20 H new ATOM 0 HG2 LYS A 76 3.199 4.807 -16.182 1.00 71.44 H new ATOM 0 HG3 LYS A 76 2.798 3.129 -15.872 1.00 71.44 H new ATOM 0 HD2 LYS A 76 3.618 2.398 -17.923 1.00 74.23 H new ATOM 0 HD3 LYS A 76 3.294 3.922 -18.724 1.00 74.23 H new ATOM 0 HE2 LYS A 76 5.628 3.938 -18.550 1.00 62.35 H new ATOM 0 HE3 LYS A 76 5.145 4.905 -17.171 1.00 62.35 H new ATOM 0 HZ1 LYS A 76 6.818 3.284 -16.561 1.00 65.13 H new ATOM 0 HZ2 LYS A 76 5.362 2.946 -15.755 1.00 65.13 H new ATOM 0 HZ3 LYS A 76 5.831 2.008 -17.092 1.00 65.13 H new ATOM 1273 N PHE A 77 -1.000 3.150 -15.212 1.00 34.33 N ATOM 1274 CA PHE A 77 -1.500 2.882 -13.868 1.00 75.13 C ATOM 1275 C PHE A 77 -1.607 1.381 -13.617 1.00 23.33 C ATOM 1276 O PHE A 77 -1.336 0.904 -12.515 1.00 2.52 O ATOM 1277 CB PHE A 77 -2.866 3.542 -13.669 1.00 34.24 C ATOM 1278 CG PHE A 77 -2.907 4.498 -12.511 1.00 21.44 C ATOM 1279 CD1 PHE A 77 -2.323 4.164 -11.299 1.00 75.11 C ATOM 1280 CD2 PHE A 77 -3.529 5.730 -12.634 1.00 21.43 C ATOM 1281 CE1 PHE A 77 -2.359 5.041 -10.232 1.00 4.34 C ATOM 1282 CE2 PHE A 77 -3.567 6.611 -11.570 1.00 2.21 C ATOM 1283 CZ PHE A 77 -2.982 6.266 -10.367 1.00 50.11 C ATOM 0 H PHE A 77 -1.542 3.838 -15.734 1.00 34.33 H new ATOM 0 HA PHE A 77 -0.793 3.303 -13.153 1.00 75.13 H new ATOM 0 HB2 PHE A 77 -3.139 4.075 -14.580 1.00 34.24 H new ATOM 0 HB3 PHE A 77 -3.617 2.766 -13.516 1.00 34.24 H new ATOM 0 HD1 PHE A 77 -1.834 3.207 -11.188 1.00 75.11 H new ATOM 0 HD2 PHE A 77 -3.989 6.005 -13.572 1.00 21.43 H new ATOM 0 HE1 PHE A 77 -1.900 4.769 -9.293 1.00 4.34 H new ATOM 0 HE2 PHE A 77 -4.054 7.569 -11.679 1.00 2.21 H new ATOM 0 HZ PHE A 77 -3.012 6.953 -9.534 1.00 50.11 H new ATOM 1293 N ALA A 78 -2.004 0.641 -14.647 1.00 23.21 N ATOM 1294 CA ALA A 78 -2.145 -0.806 -14.539 1.00 2.10 C ATOM 1295 C ALA A 78 -0.794 -1.473 -14.307 1.00 25.44 C ATOM 1296 O ALA A 78 -0.697 -2.462 -13.580 1.00 43.22 O ATOM 1297 CB ALA A 78 -2.804 -1.367 -15.790 1.00 54.32 C ATOM 0 H ALA A 78 -2.234 1.020 -15.566 1.00 23.21 H new ATOM 0 HA ALA A 78 -2.780 -1.021 -13.679 1.00 2.10 H new ATOM 0 HB1 ALA A 78 -2.903 -2.448 -15.695 1.00 54.32 H new ATOM 0 HB2 ALA A 78 -3.791 -0.922 -15.912 1.00 54.32 H new ATOM 0 HB3 ALA A 78 -2.191 -1.134 -16.660 1.00 54.32 H new ATOM 1303 N GLU A 79 0.246 -0.927 -14.929 1.00 3.21 N ATOM 1304 CA GLU A 79 1.592 -1.472 -14.790 1.00 13.20 C ATOM 1305 C GLU A 79 2.304 -0.862 -13.586 1.00 31.21 C ATOM 1306 O GLU A 79 3.254 -1.438 -13.055 1.00 65.52 O ATOM 1307 CB GLU A 79 2.404 -1.214 -16.061 1.00 31.41 C ATOM 1308 CG GLU A 79 3.900 -1.399 -15.875 1.00 25.23 C ATOM 1309 CD GLU A 79 4.657 -1.397 -17.189 1.00 74.11 C ATOM 1310 OE1 GLU A 79 5.902 -1.488 -17.157 1.00 32.04 O ATOM 1311 OE2 GLU A 79 4.004 -1.304 -18.250 1.00 30.35 O ATOM 0 H GLU A 79 0.183 -0.108 -15.534 1.00 3.21 H new ATOM 0 HA GLU A 79 1.507 -2.547 -14.634 1.00 13.20 H new ATOM 0 HB2 GLU A 79 2.058 -1.887 -16.846 1.00 31.41 H new ATOM 0 HB3 GLU A 79 2.212 -0.198 -16.405 1.00 31.41 H new ATOM 0 HG2 GLU A 79 4.284 -0.602 -15.238 1.00 25.23 H new ATOM 0 HG3 GLU A 79 4.084 -2.339 -15.356 1.00 25.23 H new ATOM 1318 N LEU A 80 1.838 0.307 -13.160 1.00 63.22 N ATOM 1319 CA LEU A 80 2.430 0.996 -12.019 1.00 2.31 C ATOM 1320 C LEU A 80 2.528 0.068 -10.813 1.00 14.04 C ATOM 1321 O LEU A 80 3.540 0.048 -10.111 1.00 61.23 O ATOM 1322 CB LEU A 80 1.604 2.232 -11.660 1.00 53.52 C ATOM 1323 CG LEU A 80 2.279 3.584 -11.899 1.00 74.41 C ATOM 1324 CD1 LEU A 80 1.976 4.091 -13.300 1.00 50.05 C ATOM 1325 CD2 LEU A 80 1.830 4.596 -10.855 1.00 62.20 C ATOM 0 H LEU A 80 1.052 0.797 -13.587 1.00 63.22 H new ATOM 0 HA LEU A 80 3.437 1.308 -12.297 1.00 2.31 H new ATOM 0 HB2 LEU A 80 0.678 2.204 -12.234 1.00 53.52 H new ATOM 0 HB3 LEU A 80 1.329 2.167 -10.607 1.00 53.52 H new ATOM 0 HG LEU A 80 3.357 3.452 -11.808 1.00 74.41 H new ATOM 0 HD11 LEU A 80 2.464 5.054 -13.452 1.00 50.05 H new ATOM 0 HD12 LEU A 80 2.347 3.376 -14.034 1.00 50.05 H new ATOM 0 HD13 LEU A 80 0.899 4.208 -13.420 1.00 50.05 H new ATOM 0 HD21 LEU A 80 2.320 5.552 -11.040 1.00 62.20 H new ATOM 0 HD22 LEU A 80 0.749 4.725 -10.914 1.00 62.20 H new ATOM 0 HD23 LEU A 80 2.099 4.237 -9.861 1.00 62.20 H new ATOM 1337 N LEU A 81 1.470 -0.701 -10.577 1.00 41.25 N ATOM 1338 CA LEU A 81 1.437 -1.634 -9.457 1.00 33.12 C ATOM 1339 C LEU A 81 2.514 -2.704 -9.606 1.00 51.45 C ATOM 1340 O LEU A 81 3.052 -3.198 -8.617 1.00 22.04 O ATOM 1341 CB LEU A 81 0.059 -2.292 -9.356 1.00 63.03 C ATOM 1342 CG LEU A 81 -0.139 -3.258 -8.188 1.00 35.02 C ATOM 1343 CD1 LEU A 81 -0.561 -2.503 -6.937 1.00 32.01 C ATOM 1344 CD2 LEU A 81 -1.169 -4.321 -8.544 1.00 25.02 C ATOM 0 H LEU A 81 0.624 -0.696 -11.147 1.00 41.25 H new ATOM 0 HA LEU A 81 1.633 -1.073 -8.544 1.00 33.12 H new ATOM 0 HB2 LEU A 81 -0.692 -1.506 -9.283 1.00 63.03 H new ATOM 0 HB3 LEU A 81 -0.133 -2.831 -10.284 1.00 63.03 H new ATOM 0 HG LEU A 81 0.811 -3.753 -7.986 1.00 35.02 H new ATOM 0 HD11 LEU A 81 -0.697 -3.207 -6.116 1.00 32.01 H new ATOM 0 HD12 LEU A 81 0.210 -1.780 -6.671 1.00 32.01 H new ATOM 0 HD13 LEU A 81 -1.499 -1.980 -7.126 1.00 32.01 H new ATOM 0 HD21 LEU A 81 -1.297 -5.000 -7.701 1.00 25.02 H new ATOM 0 HD22 LEU A 81 -2.121 -3.843 -8.773 1.00 25.02 H new ATOM 0 HD23 LEU A 81 -0.827 -4.882 -9.413 1.00 25.02 H new ATOM 1356 N GLU A 82 2.824 -3.054 -10.851 1.00 2.31 N ATOM 1357 CA GLU A 82 3.839 -4.064 -11.129 1.00 54.51 C ATOM 1358 C GLU A 82 5.231 -3.440 -11.167 1.00 71.05 C ATOM 1359 O GLU A 82 6.231 -4.115 -10.926 1.00 32.52 O ATOM 1360 CB GLU A 82 3.544 -4.762 -12.458 1.00 52.23 C ATOM 1361 CG GLU A 82 2.169 -5.406 -12.515 1.00 61.44 C ATOM 1362 CD GLU A 82 2.138 -6.774 -11.860 1.00 41.44 C ATOM 1363 OE1 GLU A 82 1.429 -7.662 -12.377 1.00 33.31 O ATOM 1364 OE2 GLU A 82 2.823 -6.955 -10.832 1.00 15.01 O ATOM 0 H GLU A 82 2.388 -2.654 -11.682 1.00 2.31 H new ATOM 0 HA GLU A 82 3.812 -4.801 -10.326 1.00 54.51 H new ATOM 0 HB2 GLU A 82 3.630 -4.036 -13.267 1.00 52.23 H new ATOM 0 HB3 GLU A 82 4.301 -5.526 -12.633 1.00 52.23 H new ATOM 0 HG2 GLU A 82 1.446 -4.755 -12.023 1.00 61.44 H new ATOM 0 HG3 GLU A 82 1.858 -5.498 -13.556 1.00 61.44 H new ATOM 1371 N GLN A 83 5.286 -2.148 -11.473 1.00 51.24 N ATOM 1372 CA GLN A 83 6.555 -1.434 -11.545 1.00 1.52 C ATOM 1373 C GLN A 83 7.397 -1.693 -10.300 1.00 34.14 C ATOM 1374 O GLN A 83 8.533 -2.156 -10.393 1.00 50.12 O ATOM 1375 CB GLN A 83 6.311 0.068 -11.706 1.00 61.11 C ATOM 1376 CG GLN A 83 7.472 0.807 -12.351 1.00 4.21 C ATOM 1377 CD GLN A 83 8.117 1.811 -11.416 1.00 15.44 C ATOM 1378 OE1 GLN A 83 7.339 2.792 -10.973 1.00 75.10 O flip ATOM 1379 NE2 GLN A 83 9.301 1.707 -11.094 1.00 54.42 N flip ATOM 0 H GLN A 83 4.467 -1.575 -11.675 1.00 51.24 H new ATOM 0 HA GLN A 83 7.101 -1.802 -12.414 1.00 1.52 H new ATOM 0 HB2 GLN A 83 5.415 0.220 -12.308 1.00 61.11 H new ATOM 0 HB3 GLN A 83 6.114 0.503 -10.726 1.00 61.11 H new ATOM 0 HG2 GLN A 83 8.221 0.085 -12.676 1.00 4.21 H new ATOM 0 HG3 GLN A 83 7.118 1.323 -13.244 1.00 4.21 H new ATOM 0 HE21 GLN A 83 9.863 0.937 -11.458 1.00 54.42 H new ATOM 0 HE22 GLN A 83 9.720 2.391 -10.463 1.00 54.42 H new ATOM 1388 N GLN A 84 6.831 -1.391 -9.135 1.00 74.45 N ATOM 1389 CA GLN A 84 7.530 -1.591 -7.872 1.00 22.41 C ATOM 1390 C GLN A 84 7.409 -3.039 -7.406 1.00 1.52 C ATOM 1391 O GLN A 84 8.405 -3.678 -7.065 1.00 53.13 O ATOM 1392 CB GLN A 84 6.974 -0.650 -6.802 1.00 72.30 C ATOM 1393 CG GLN A 84 7.528 0.763 -6.887 1.00 24.44 C ATOM 1394 CD GLN A 84 8.943 0.867 -6.353 1.00 4.03 C ATOM 1395 OE1 GLN A 84 9.158 0.368 -5.141 1.00 34.31 O flip ATOM 1396 NE2 GLN A 84 9.835 1.391 -7.022 1.00 15.01 N flip ATOM 0 H GLN A 84 5.891 -1.007 -9.041 1.00 74.45 H new ATOM 0 HA GLN A 84 8.585 -1.366 -8.030 1.00 22.41 H new ATOM 0 HB2 GLN A 84 5.888 -0.612 -6.892 1.00 72.30 H new ATOM 0 HB3 GLN A 84 7.198 -1.060 -5.817 1.00 72.30 H new ATOM 0 HG2 GLN A 84 7.510 1.095 -7.925 1.00 24.44 H new ATOM 0 HG3 GLN A 84 6.881 1.437 -6.326 1.00 24.44 H new ATOM 0 HE21 GLN A 84 9.626 1.762 -7.949 1.00 15.01 H new ATOM 0 HE22 GLN A 84 10.782 1.454 -6.649 1.00 15.01 H new ATOM 1405 N LYS A 85 6.183 -3.550 -7.392 1.00 51.14 N ATOM 1406 CA LYS A 85 5.930 -4.922 -6.969 1.00 61.11 C ATOM 1407 C LYS A 85 6.898 -5.887 -7.646 1.00 24.34 C ATOM 1408 O LYS A 85 7.682 -6.563 -6.980 1.00 43.52 O ATOM 1409 CB LYS A 85 4.488 -5.320 -7.292 1.00 0.22 C ATOM 1410 CG LYS A 85 4.075 -6.651 -6.689 1.00 33.04 C ATOM 1411 CD LYS A 85 2.858 -6.503 -5.790 1.00 43.52 C ATOM 1412 CE LYS A 85 2.296 -7.856 -5.385 1.00 23.45 C ATOM 1413 NZ LYS A 85 0.811 -7.834 -5.288 1.00 15.25 N ATOM 0 H LYS A 85 5.348 -3.034 -7.669 1.00 51.14 H new ATOM 0 HA LYS A 85 6.083 -4.977 -5.891 1.00 61.11 H new ATOM 0 HB2 LYS A 85 3.816 -4.542 -6.930 1.00 0.22 H new ATOM 0 HB3 LYS A 85 4.367 -5.368 -8.374 1.00 0.22 H new ATOM 0 HG2 LYS A 85 3.855 -7.360 -7.487 1.00 33.04 H new ATOM 0 HG3 LYS A 85 4.904 -7.064 -6.115 1.00 33.04 H new ATOM 0 HD2 LYS A 85 3.130 -5.939 -4.898 1.00 43.52 H new ATOM 0 HD3 LYS A 85 2.090 -5.929 -6.308 1.00 43.52 H new ATOM 0 HE2 LYS A 85 2.601 -8.608 -6.112 1.00 23.45 H new ATOM 0 HE3 LYS A 85 2.718 -8.152 -4.425 1.00 23.45 H new ATOM 0 HZ1 LYS A 85 0.467 -8.775 -5.010 1.00 15.25 H new ATOM 0 HZ2 LYS A 85 0.520 -7.134 -4.576 1.00 15.25 H new ATOM 0 HZ3 LYS A 85 0.407 -7.577 -6.211 1.00 15.25 H new