USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= -1.42 K(o=-2.9,f=-7.2!) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -1.3 K(o=-2.9,f=-4.8) USER MOD Set 1.3: A 63 MET CE :methyl -106:sc= -0.136 (180deg=-0.0972) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Set 2.2: A 61 HIS :FLIP no HD1:sc= -1.31 F(o=-2.2,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0358 (180deg=-0.421) USER MOD Single : A 3 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -1.88! (180deg=-2.74) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.229 F(o=-1.2,f=-0.23) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.3) USER MOD Single : A 27 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.129 F(o=-0.71,f=-0.13) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 115:sc= 1.13 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.436 F(o=-1.2,f=-0.44) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.1 F(o=-2,f=-1.1) USER MOD Single : A 42 SER OG : rot 44:sc= 0.86 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.36) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.37 (180deg=0.37) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.663 K(o=-0.66,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.774 (180deg=-1.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -3:sc= -1.34 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.55) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.019 -2.644 4.011 1.00 0.00 N ATOM 2 CA MET A 1 -14.310 -3.441 5.046 1.00 0.00 C ATOM 3 C MET A 1 -13.569 -2.537 6.027 1.00 0.00 C ATOM 4 O MET A 1 -12.938 -1.558 5.630 1.00 0.00 O ATOM 5 CB MET A 1 -13.325 -4.380 4.347 1.00 0.00 C ATOM 6 CG MET A 1 -13.997 -5.424 3.471 1.00 0.00 C ATOM 7 SD MET A 1 -13.200 -5.603 1.862 1.00 0.00 S ATOM 8 CE MET A 1 -13.461 -7.347 1.547 1.00 0.00 C ATOM 0 H1 MET A 1 -15.849 -3.172 3.674 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.327 -1.739 4.420 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.377 -2.462 3.213 1.00 0.00 H new ATOM 0 HA MET A 1 -15.039 -4.016 5.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.644 -3.788 3.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.720 -4.885 5.100 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.987 -6.385 3.986 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.042 -5.152 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.023 -7.612 0.585 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.989 -7.934 2.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.530 -7.557 1.529 1.00 0.00 H new ATOM 20 N PHE A 2 -13.653 -2.873 7.311 1.00 0.00 N ATOM 21 CA PHE A 2 -12.992 -2.092 8.349 1.00 0.00 C ATOM 22 C PHE A 2 -12.263 -3.003 9.333 1.00 0.00 C ATOM 23 O PHE A 2 -12.316 -2.792 10.546 1.00 0.00 O ATOM 24 CB PHE A 2 -14.014 -1.229 9.093 1.00 0.00 C ATOM 25 CG PHE A 2 -14.539 -0.082 8.277 1.00 0.00 C ATOM 26 CD1 PHE A 2 -13.669 0.827 7.698 1.00 0.00 C ATOM 27 CD2 PHE A 2 -15.902 0.086 8.091 1.00 0.00 C ATOM 28 CE1 PHE A 2 -14.149 1.884 6.947 1.00 0.00 C ATOM 29 CE2 PHE A 2 -16.387 1.139 7.341 1.00 0.00 C ATOM 30 CZ PHE A 2 -15.510 2.040 6.768 1.00 0.00 C ATOM 0 H PHE A 2 -14.172 -3.680 7.656 1.00 0.00 H new ATOM 0 HA PHE A 2 -12.258 -1.443 7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -14.850 -1.856 9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -13.555 -0.838 10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.604 0.709 7.835 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -16.592 -0.614 8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -13.461 2.587 6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -17.451 1.258 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 2 -15.888 2.864 6.181 1.00 0.00 H new ATOM 40 N HIS A 3 -11.583 -4.014 8.804 1.00 0.00 N ATOM 41 CA HIS A 3 -10.843 -4.955 9.637 1.00 0.00 C ATOM 42 C HIS A 3 -9.572 -5.422 8.937 1.00 0.00 C ATOM 43 O HIS A 3 -8.475 -5.310 9.480 1.00 0.00 O ATOM 44 CB HIS A 3 -11.719 -6.160 9.985 1.00 0.00 C ATOM 45 CG HIS A 3 -12.979 -5.797 10.706 1.00 0.00 C ATOM 46 ND1 HIS A 3 -13.004 -5.410 12.029 1.00 0.00 N ATOM 47 CD2 HIS A 3 -14.264 -5.764 10.281 1.00 0.00 C ATOM 48 CE1 HIS A 3 -14.251 -5.155 12.387 1.00 0.00 C ATOM 49 NE2 HIS A 3 -15.034 -5.361 11.345 1.00 0.00 N ATOM 0 H HIS A 3 -11.529 -4.203 7.803 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.561 -4.441 10.556 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.975 -6.689 9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.144 -6.851 10.601 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.618 -6.009 9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.574 -4.833 13.366 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.047 -5.241 11.332 1.00 0.00 H new ATOM 58 N GLU A 4 -9.734 -5.947 7.732 1.00 0.00 N ATOM 59 CA GLU A 4 -8.605 -6.439 6.947 1.00 0.00 C ATOM 60 C GLU A 4 -7.808 -5.290 6.326 1.00 0.00 C ATOM 61 O GLU A 4 -6.772 -5.502 5.701 1.00 0.00 O ATOM 62 CB GLU A 4 -9.096 -7.382 5.849 1.00 0.00 C ATOM 63 CG GLU A 4 -9.334 -8.804 6.329 1.00 0.00 C ATOM 64 CD GLU A 4 -10.707 -8.989 6.945 1.00 0.00 C ATOM 65 OE1 GLU A 4 -11.597 -8.157 6.673 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.892 -9.967 7.700 1.00 0.00 O ATOM 0 H GLU A 4 -10.639 -6.045 7.272 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.944 -6.982 7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.023 -6.989 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.364 -7.398 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.221 -9.491 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.572 -9.068 7.062 1.00 0.00 H new ATOM 73 N PHE A 5 -8.294 -4.072 6.500 1.00 0.00 N ATOM 74 CA PHE A 5 -7.622 -2.903 5.962 1.00 0.00 C ATOM 75 C PHE A 5 -6.651 -2.331 6.977 1.00 0.00 C ATOM 76 O PHE A 5 -5.689 -1.654 6.626 1.00 0.00 O ATOM 77 CB PHE A 5 -8.636 -1.843 5.556 1.00 0.00 C ATOM 78 CG PHE A 5 -9.132 -1.987 4.146 1.00 0.00 C ATOM 79 CD1 PHE A 5 -10.000 -3.011 3.804 1.00 0.00 C ATOM 80 CD2 PHE A 5 -8.728 -1.098 3.163 1.00 0.00 C ATOM 81 CE1 PHE A 5 -10.457 -3.144 2.506 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.181 -1.227 1.865 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.047 -2.252 1.536 1.00 0.00 C ATOM 0 H PHE A 5 -9.153 -3.868 7.011 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.063 -3.210 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.486 -1.887 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.185 -0.858 5.674 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.323 -3.713 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.051 -0.295 3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -11.135 -3.946 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.859 -0.527 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 5 -10.403 -2.355 0.521 1.00 0.00 H new ATOM 93 N ARG A 6 -6.907 -2.614 8.241 1.00 0.00 N ATOM 94 CA ARG A 6 -6.049 -2.146 9.310 1.00 0.00 C ATOM 95 C ARG A 6 -5.413 -3.335 10.003 1.00 0.00 C ATOM 96 O ARG A 6 -4.297 -3.248 10.512 1.00 0.00 O ATOM 97 CB ARG A 6 -6.839 -1.299 10.310 1.00 0.00 C ATOM 98 CG ARG A 6 -6.023 -0.854 11.514 1.00 0.00 C ATOM 99 CD ARG A 6 -6.171 -1.822 12.676 1.00 0.00 C ATOM 100 NE ARG A 6 -5.091 -1.680 13.649 1.00 0.00 N ATOM 101 CZ ARG A 6 -4.769 -2.611 14.544 1.00 0.00 C ATOM 102 NH1 ARG A 6 -5.441 -3.755 14.593 1.00 0.00 N ATOM 103 NH2 ARG A 6 -3.771 -2.399 15.392 1.00 0.00 N ATOM 0 H ARG A 6 -7.705 -3.168 8.552 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.266 -1.517 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.227 -0.418 9.799 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.700 -1.871 10.657 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.972 -0.778 11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.343 0.140 11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.128 -1.652 13.170 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.185 -2.844 12.297 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.551 -0.815 13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.208 -3.924 13.943 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.190 -4.465 15.281 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.250 -1.522 15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.524 -3.113 16.078 1.00 0.00 H new ATOM 117 N ASP A 7 -6.122 -4.456 10.004 1.00 0.00 N ATOM 118 CA ASP A 7 -5.613 -5.664 10.617 1.00 0.00 C ATOM 119 C ASP A 7 -4.844 -6.489 9.601 1.00 0.00 C ATOM 120 O ASP A 7 -3.878 -7.164 9.951 1.00 0.00 O ATOM 121 CB ASP A 7 -6.747 -6.490 11.229 1.00 0.00 C ATOM 122 CG ASP A 7 -7.683 -5.648 12.073 1.00 0.00 C ATOM 123 OD1 ASP A 7 -7.191 -4.760 12.802 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.910 -5.876 12.006 1.00 0.00 O ATOM 0 H ASP A 7 -7.048 -4.549 9.587 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.934 -5.376 11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.314 -6.971 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.324 -7.285 11.843 1.00 0.00 H new ATOM 129 N GLU A 8 -5.246 -6.421 8.332 1.00 0.00 N ATOM 130 CA GLU A 8 -4.533 -7.162 7.305 1.00 0.00 C ATOM 131 C GLU A 8 -3.448 -6.287 6.711 1.00 0.00 C ATOM 132 O GLU A 8 -2.434 -6.781 6.222 1.00 0.00 O ATOM 133 CB GLU A 8 -5.476 -7.677 6.219 1.00 0.00 C ATOM 134 CG GLU A 8 -5.363 -9.173 5.977 1.00 0.00 C ATOM 135 CD GLU A 8 -5.318 -9.526 4.502 1.00 0.00 C ATOM 136 OE1 GLU A 8 -4.684 -8.775 3.732 1.00 0.00 O ATOM 137 OE2 GLU A 8 -5.917 -10.553 4.118 1.00 0.00 O ATOM 0 H GLU A 8 -6.041 -5.874 8.001 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.076 -8.037 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.503 -7.439 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.268 -7.150 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.463 -9.549 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.211 -9.677 6.441 1.00 0.00 H new ATOM 144 N ILE A 9 -3.656 -4.973 6.759 1.00 0.00 N ATOM 145 CA ILE A 9 -2.667 -4.057 6.224 1.00 0.00 C ATOM 146 C ILE A 9 -1.604 -3.727 7.260 1.00 0.00 C ATOM 147 O ILE A 9 -0.462 -3.434 6.914 1.00 0.00 O ATOM 148 CB ILE A 9 -3.304 -2.752 5.725 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.464 -3.065 4.775 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.253 -1.882 5.049 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.991 -1.856 4.028 1.00 0.00 C ATOM 0 H ILE A 9 -4.485 -4.531 7.156 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.203 -4.565 5.378 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.703 -2.197 6.574 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.137 -3.812 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.279 -3.510 5.347 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.715 -0.959 4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.464 -1.645 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.827 -2.419 4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.810 -2.160 3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.351 -1.115 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.191 -1.422 3.428 1.00 0.00 H new ATOM 163 N SER A 10 -1.971 -3.759 8.534 1.00 0.00 N ATOM 164 CA SER A 10 -1.011 -3.447 9.578 1.00 0.00 C ATOM 165 C SER A 10 -0.291 -4.691 10.085 1.00 0.00 C ATOM 166 O SER A 10 0.780 -4.591 10.678 1.00 0.00 O ATOM 167 CB SER A 10 -1.689 -2.722 10.740 1.00 0.00 C ATOM 168 OG SER A 10 -0.744 -2.011 11.520 1.00 0.00 O ATOM 0 H SER A 10 -2.908 -3.993 8.863 1.00 0.00 H new ATOM 0 HA SER A 10 -0.263 -2.789 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.439 -2.032 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.213 -3.444 11.367 1.00 0.00 H new ATOM 0 HG SER A 10 -1.204 -1.555 12.256 1.00 0.00 H new ATOM 174 N VAL A 11 -0.881 -5.860 9.879 1.00 0.00 N ATOM 175 CA VAL A 11 -0.263 -7.093 10.356 1.00 0.00 C ATOM 176 C VAL A 11 0.639 -7.740 9.310 1.00 0.00 C ATOM 177 O VAL A 11 1.701 -8.269 9.637 1.00 0.00 O ATOM 178 CB VAL A 11 -1.318 -8.114 10.834 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.658 -9.413 11.275 1.00 0.00 C ATOM 180 CG2 VAL A 11 -2.150 -7.525 11.964 1.00 0.00 C ATOM 0 H VAL A 11 -1.770 -5.983 9.394 1.00 0.00 H new ATOM 0 HA VAL A 11 0.358 -6.803 11.203 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.978 -8.340 9.997 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.423 -10.115 11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.108 -9.844 10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.030 -9.211 12.096 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.889 -8.256 12.291 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.499 -7.269 12.800 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.658 -6.627 11.612 1.00 0.00 H new ATOM 190 N LEU A 12 0.204 -7.718 8.062 1.00 0.00 N ATOM 191 CA LEU A 12 0.969 -8.326 6.979 1.00 0.00 C ATOM 192 C LEU A 12 1.932 -7.338 6.349 1.00 0.00 C ATOM 193 O LEU A 12 3.023 -7.711 5.917 1.00 0.00 O ATOM 194 CB LEU A 12 0.031 -8.865 5.900 1.00 0.00 C ATOM 195 CG LEU A 12 -1.342 -9.307 6.399 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.301 -9.494 5.231 1.00 0.00 C ATOM 197 CD2 LEU A 12 -1.228 -10.587 7.213 1.00 0.00 C ATOM 0 H LEU A 12 -0.673 -7.287 7.770 1.00 0.00 H new ATOM 0 HA LEU A 12 1.545 -9.144 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.106 -8.095 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.513 -9.712 5.411 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.741 -8.526 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.275 -9.809 5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.407 -8.552 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.909 -10.255 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.217 -10.887 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.807 -11.377 6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.579 -10.416 8.071 1.00 0.00 H new ATOM 209 N LYS A 13 1.517 -6.085 6.271 1.00 0.00 N ATOM 210 CA LYS A 13 2.349 -5.061 5.655 1.00 0.00 C ATOM 211 C LYS A 13 3.299 -4.413 6.657 1.00 0.00 C ATOM 212 O LYS A 13 4.416 -4.038 6.304 1.00 0.00 O ATOM 213 CB LYS A 13 1.478 -4.010 4.975 1.00 0.00 C ATOM 214 CG LYS A 13 1.442 -4.155 3.467 1.00 0.00 C ATOM 215 CD LYS A 13 2.633 -3.476 2.815 1.00 0.00 C ATOM 216 CE LYS A 13 3.926 -4.224 3.086 1.00 0.00 C ATOM 217 NZ LYS A 13 5.062 -3.674 2.297 1.00 0.00 N ATOM 0 H LYS A 13 0.619 -5.753 6.622 1.00 0.00 H new ATOM 0 HA LYS A 13 2.967 -5.549 4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.463 -4.080 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.850 -3.018 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.434 -5.212 3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.519 -3.723 3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.470 -3.410 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.719 -2.455 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.162 -4.168 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.793 -5.278 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.459 -4.421 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.725 -2.890 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.798 -3.326 2.944 1.00 0.00 H new ATOM 231 N ALA A 14 2.873 -4.299 7.908 1.00 0.00 N ATOM 232 CA ALA A 14 3.726 -3.713 8.934 1.00 0.00 C ATOM 233 C ALA A 14 4.724 -4.744 9.454 1.00 0.00 C ATOM 234 O ALA A 14 5.579 -4.433 10.284 1.00 0.00 O ATOM 235 CB ALA A 14 2.895 -3.147 10.074 1.00 0.00 C ATOM 0 H ALA A 14 1.955 -4.600 8.234 1.00 0.00 H new ATOM 0 HA ALA A 14 4.283 -2.891 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.555 -2.716 10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.229 -2.374 9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.304 -3.945 10.524 1.00 0.00 H new ATOM 241 N ASN A 15 4.600 -5.978 8.968 1.00 0.00 N ATOM 242 CA ASN A 15 5.484 -7.061 9.390 1.00 0.00 C ATOM 243 C ASN A 15 6.150 -7.752 8.212 1.00 0.00 C ATOM 244 O ASN A 15 7.010 -8.613 8.402 1.00 0.00 O ATOM 245 CB ASN A 15 4.711 -8.085 10.224 1.00 0.00 C ATOM 246 CG ASN A 15 4.104 -7.475 11.471 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.057 -6.676 11.290 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.567 -7.718 12.585 1.00 0.00 N flip ATOM 0 H ASN A 15 3.896 -6.252 8.282 1.00 0.00 H new ATOM 0 HA ASN A 15 6.271 -6.614 9.998 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.920 -8.523 9.615 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.380 -8.897 10.509 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.372 -8.337 12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.146 -7.300 13.415 1.00 0.00 H new ATOM 255 N ASN A 16 5.767 -7.385 6.997 1.00 0.00 N ATOM 256 CA ASN A 16 6.364 -7.998 5.826 1.00 0.00 C ATOM 257 C ASN A 16 7.781 -7.471 5.609 1.00 0.00 C ATOM 258 O ASN A 16 8.034 -6.279 5.767 1.00 0.00 O ATOM 259 CB ASN A 16 5.506 -7.751 4.584 1.00 0.00 C ATOM 260 CG ASN A 16 4.752 -8.990 4.145 1.00 0.00 C ATOM 261 OD1 ASN A 16 4.775 -10.018 4.822 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.078 -8.899 3.005 1.00 0.00 N ATOM 0 H ASN A 16 5.058 -6.678 6.801 1.00 0.00 H new ATOM 0 HA ASN A 16 6.416 -9.073 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.795 -6.951 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.143 -7.409 3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.552 -9.701 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.086 -8.027 2.476 1.00 0.00 H new ATOM 269 N PRO A 17 8.729 -8.354 5.246 1.00 0.00 N ATOM 270 CA PRO A 17 10.126 -7.968 5.014 1.00 0.00 C ATOM 271 C PRO A 17 10.258 -6.814 4.036 1.00 0.00 C ATOM 272 O PRO A 17 11.195 -6.020 4.115 1.00 0.00 O ATOM 273 CB PRO A 17 10.777 -9.240 4.446 1.00 0.00 C ATOM 274 CG PRO A 17 9.644 -10.151 4.102 1.00 0.00 C ATOM 275 CD PRO A 17 8.524 -9.792 5.034 1.00 0.00 C ATOM 0 HA PRO A 17 10.599 -7.614 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.379 -9.013 3.566 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.442 -9.700 5.177 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.342 -10.023 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.933 -11.195 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.549 -10.002 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.580 -10.351 5.968 1.00 0.00 H new ATOM 283 N HIS A 18 9.310 -6.723 3.124 1.00 0.00 N ATOM 284 CA HIS A 18 9.304 -5.663 2.132 1.00 0.00 C ATOM 285 C HIS A 18 9.049 -4.307 2.787 1.00 0.00 C ATOM 286 O HIS A 18 9.350 -3.263 2.209 1.00 0.00 O ATOM 287 CB HIS A 18 8.235 -5.962 1.090 1.00 0.00 C ATOM 288 CG HIS A 18 8.733 -5.897 -0.320 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.542 -4.882 -0.789 1.00 0.00 N ATOM 290 CD2 HIS A 18 8.533 -6.730 -1.370 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.817 -5.093 -2.063 1.00 0.00 C ATOM 292 NE2 HIS A 18 9.218 -6.208 -2.440 1.00 0.00 N ATOM 0 H HIS A 18 8.529 -7.374 3.049 1.00 0.00 H new ATOM 0 HA HIS A 18 10.280 -5.619 1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.827 -6.955 1.276 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.416 -5.253 1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.945 -7.636 -1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.428 -4.461 -2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.258 -6.615 -3.374 1.00 0.00 H new ATOM 301 N PHE A 19 8.496 -4.329 3.999 1.00 0.00 N ATOM 302 CA PHE A 19 8.209 -3.099 4.729 1.00 0.00 C ATOM 303 C PHE A 19 9.459 -2.230 4.840 1.00 0.00 C ATOM 304 O PHE A 19 9.382 -1.007 4.900 1.00 0.00 O ATOM 305 CB PHE A 19 7.649 -3.420 6.123 1.00 0.00 C ATOM 306 CG PHE A 19 8.696 -3.651 7.182 1.00 0.00 C ATOM 307 CD1 PHE A 19 9.739 -4.540 6.970 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.633 -2.979 8.392 1.00 0.00 C ATOM 309 CE1 PHE A 19 10.698 -4.751 7.943 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.587 -3.185 9.368 1.00 0.00 C ATOM 311 CZ PHE A 19 10.621 -4.073 9.144 1.00 0.00 C ATOM 0 H PHE A 19 8.239 -5.183 4.493 1.00 0.00 H new ATOM 0 HA PHE A 19 7.456 -2.540 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.006 -2.599 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.021 -4.308 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.803 -5.074 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.826 -2.284 8.574 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.506 -5.445 7.764 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.525 -2.653 10.306 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.368 -4.237 9.907 1.00 0.00 H new ATOM 321 N ASP A 20 10.615 -2.866 4.856 1.00 0.00 N ATOM 322 CA ASP A 20 11.870 -2.137 4.953 1.00 0.00 C ATOM 323 C ASP A 20 11.921 -1.010 3.933 1.00 0.00 C ATOM 324 O ASP A 20 12.178 0.140 4.275 1.00 0.00 O ATOM 325 CB ASP A 20 13.048 -3.074 4.728 1.00 0.00 C ATOM 326 CG ASP A 20 13.369 -3.911 5.951 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.783 -3.330 6.976 1.00 0.00 O ATOM 328 OD2 ASP A 20 13.207 -5.148 5.883 1.00 0.00 O ATOM 0 H ASP A 20 10.714 -3.880 4.804 1.00 0.00 H new ATOM 0 HA ASP A 20 11.932 -1.712 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.828 -3.733 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.925 -2.489 4.452 1.00 0.00 H new ATOM 333 N LYS A 21 11.679 -1.357 2.679 1.00 0.00 N ATOM 334 CA LYS A 21 11.699 -0.385 1.595 1.00 0.00 C ATOM 335 C LYS A 21 10.322 0.226 1.362 1.00 0.00 C ATOM 336 O LYS A 21 10.187 1.440 1.203 1.00 0.00 O ATOM 337 CB LYS A 21 12.200 -1.047 0.310 1.00 0.00 C ATOM 338 CG LYS A 21 13.695 -0.890 0.087 1.00 0.00 C ATOM 339 CD LYS A 21 14.144 -1.577 -1.192 1.00 0.00 C ATOM 340 CE LYS A 21 14.535 -3.025 -0.941 1.00 0.00 C ATOM 341 NZ LYS A 21 14.216 -3.897 -2.105 1.00 0.00 N ATOM 0 H LYS A 21 11.465 -2.310 2.385 1.00 0.00 H new ATOM 0 HA LYS A 21 12.377 0.419 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.955 -2.109 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.668 -0.620 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.947 0.169 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.236 -1.309 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.341 -1.539 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.991 -1.039 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.602 -3.081 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.014 -3.394 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.498 -4.875 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.194 -3.864 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.733 -3.561 -2.942 1.00 0.00 H new ATOM 355 N ILE A 22 9.306 -0.625 1.325 1.00 0.00 N ATOM 356 CA ILE A 22 7.938 -0.177 1.089 1.00 0.00 C ATOM 357 C ILE A 22 7.397 0.651 2.250 1.00 0.00 C ATOM 358 O ILE A 22 6.580 1.548 2.049 1.00 0.00 O ATOM 359 CB ILE A 22 6.991 -1.365 0.844 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.595 -2.325 -0.185 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.630 -0.867 0.382 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.664 -3.449 -0.587 1.00 0.00 C ATOM 0 H ILE A 22 9.402 -1.632 1.456 1.00 0.00 H new ATOM 0 HA ILE A 22 7.976 0.449 0.197 1.00 0.00 H new ATOM 0 HB ILE A 22 6.859 -1.907 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.875 -1.761 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.511 -2.752 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.970 -1.718 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.200 -0.221 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.744 -0.305 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.160 -4.088 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.404 -4.038 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.758 -3.031 -1.026 1.00 0.00 H new ATOM 374 N PHE A 23 7.844 0.346 3.462 1.00 0.00 N ATOM 375 CA PHE A 23 7.378 1.074 4.638 1.00 0.00 C ATOM 376 C PHE A 23 8.264 2.280 4.931 1.00 0.00 C ATOM 377 O PHE A 23 7.784 3.295 5.430 1.00 0.00 O ATOM 378 CB PHE A 23 7.306 0.155 5.861 1.00 0.00 C ATOM 379 CG PHE A 23 5.963 0.150 6.529 1.00 0.00 C ATOM 380 CD1 PHE A 23 5.548 1.223 7.300 1.00 0.00 C ATOM 381 CD2 PHE A 23 5.115 -0.934 6.382 1.00 0.00 C ATOM 382 CE1 PHE A 23 4.310 1.215 7.913 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.874 -0.949 6.992 1.00 0.00 C ATOM 384 CZ PHE A 23 3.472 0.128 7.760 1.00 0.00 C ATOM 0 H PHE A 23 8.521 -0.392 3.657 1.00 0.00 H new ATOM 0 HA PHE A 23 6.373 1.437 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.555 -0.862 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.061 0.465 6.583 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.199 2.076 7.423 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.426 -1.778 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.998 2.058 8.511 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.220 -1.800 6.869 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.504 0.119 8.239 1.00 0.00 H new ATOM 394 N GLU A 24 9.555 2.178 4.619 1.00 0.00 N ATOM 395 CA GLU A 24 10.463 3.294 4.863 1.00 0.00 C ATOM 396 C GLU A 24 10.156 4.444 3.917 1.00 0.00 C ATOM 397 O GLU A 24 10.169 5.607 4.315 1.00 0.00 O ATOM 398 CB GLU A 24 11.921 2.865 4.704 1.00 0.00 C ATOM 399 CG GLU A 24 12.500 2.210 5.948 1.00 0.00 C ATOM 400 CD GLU A 24 12.986 3.222 6.967 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.331 4.352 6.563 1.00 0.00 O ATOM 402 OE2 GLU A 24 13.020 2.884 8.169 1.00 0.00 O ATOM 0 H GLU A 24 9.988 1.352 4.205 1.00 0.00 H new ATOM 0 HA GLU A 24 10.314 3.626 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.998 2.170 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.522 3.738 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.742 1.574 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.328 1.562 5.661 1.00 0.00 H new ATOM 409 N LYS A 25 9.869 4.109 2.665 1.00 0.00 N ATOM 410 CA LYS A 25 9.544 5.115 1.664 1.00 0.00 C ATOM 411 C LYS A 25 8.140 5.656 1.896 1.00 0.00 C ATOM 412 O LYS A 25 7.872 6.837 1.677 1.00 0.00 O ATOM 413 CB LYS A 25 9.658 4.525 0.256 1.00 0.00 C ATOM 414 CG LYS A 25 10.999 4.792 -0.409 1.00 0.00 C ATOM 415 CD LYS A 25 12.143 4.159 0.367 1.00 0.00 C ATOM 416 CE LYS A 25 13.308 5.123 0.530 1.00 0.00 C ATOM 417 NZ LYS A 25 13.889 5.065 1.900 1.00 0.00 N ATOM 0 H LYS A 25 9.855 3.149 2.320 1.00 0.00 H new ATOM 0 HA LYS A 25 10.255 5.936 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.496 3.448 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.864 4.937 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.987 4.399 -1.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.161 5.867 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.788 3.846 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.482 3.261 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.080 4.886 -0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.971 6.138 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.680 5.736 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.159 5.315 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.234 4.103 2.090 1.00 0.00 H new ATOM 431 N HIS A 26 7.249 4.783 2.352 1.00 0.00 N ATOM 432 CA HIS A 26 5.874 5.172 2.631 1.00 0.00 C ATOM 433 C HIS A 26 5.804 5.951 3.937 1.00 0.00 C ATOM 434 O HIS A 26 5.091 6.949 4.042 1.00 0.00 O ATOM 435 CB HIS A 26 4.973 3.933 2.698 1.00 0.00 C ATOM 436 CG HIS A 26 3.582 4.220 3.175 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.747 5.131 2.564 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.879 3.708 4.215 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.593 5.169 3.206 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.647 4.315 4.211 1.00 0.00 N ATOM 0 H HIS A 26 7.455 3.801 2.536 1.00 0.00 H new ATOM 0 HA HIS A 26 5.520 5.813 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.921 3.480 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.430 3.199 3.361 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.223 2.962 4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.749 5.793 2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.896 4.135 4.877 1.00 0.00 H new ATOM 449 N ASN A 27 6.553 5.487 4.930 1.00 0.00 N ATOM 450 CA ASN A 27 6.581 6.142 6.231 1.00 0.00 C ATOM 451 C ASN A 27 7.264 7.504 6.146 1.00 0.00 C ATOM 452 O ASN A 27 6.973 8.401 6.934 1.00 0.00 O ATOM 453 CB ASN A 27 7.297 5.261 7.257 1.00 0.00 C ATOM 454 CG ASN A 27 7.179 5.802 8.668 1.00 0.00 C ATOM 455 OD1 ASN A 27 6.286 5.414 9.421 1.00 0.00 O ATOM 456 ND2 ASN A 27 8.083 6.704 9.033 1.00 0.00 N ATOM 0 H ASN A 27 7.148 4.661 4.859 1.00 0.00 H new ATOM 0 HA ASN A 27 5.550 6.295 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.880 4.254 7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.350 5.180 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.054 7.104 9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.806 6.996 8.376 1.00 0.00 H new ATOM 463 N GLN A 28 8.169 7.657 5.180 1.00 0.00 N ATOM 464 CA GLN A 28 8.879 8.917 4.999 1.00 0.00 C ATOM 465 C GLN A 28 7.939 9.975 4.440 1.00 0.00 C ATOM 466 O GLN A 28 7.967 11.133 4.859 1.00 0.00 O ATOM 467 CB GLN A 28 10.079 8.732 4.068 1.00 0.00 C ATOM 468 CG GLN A 28 11.409 9.085 4.714 1.00 0.00 C ATOM 469 CD GLN A 28 11.493 10.545 5.116 1.00 0.00 C ATOM 470 OE1 GLN A 28 11.072 10.848 6.339 1.00 0.00 O flip ATOM 471 NE2 GLN A 28 11.933 11.390 4.337 1.00 0.00 N flip ATOM 0 H GLN A 28 8.425 6.927 4.515 1.00 0.00 H new ATOM 0 HA GLN A 28 9.245 9.248 5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.111 7.696 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.939 9.351 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.558 8.460 5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.218 8.856 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.245 11.112 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.985 12.368 4.622 1.00 0.00 H new ATOM 480 N LEU A 29 7.096 9.563 3.502 1.00 0.00 N ATOM 481 CA LEU A 29 6.134 10.468 2.896 1.00 0.00 C ATOM 482 C LEU A 29 5.142 10.935 3.947 1.00 0.00 C ATOM 483 O LEU A 29 4.933 12.133 4.129 1.00 0.00 O ATOM 484 CB LEU A 29 5.404 9.783 1.739 1.00 0.00 C ATOM 485 CG LEU A 29 6.018 10.026 0.359 1.00 0.00 C ATOM 486 CD1 LEU A 29 6.043 11.514 0.042 1.00 0.00 C ATOM 487 CD2 LEU A 29 7.421 9.438 0.287 1.00 0.00 C ATOM 0 H LEU A 29 7.061 8.608 3.146 1.00 0.00 H new ATOM 0 HA LEU A 29 6.664 11.332 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.381 8.710 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.370 10.126 1.726 1.00 0.00 H new ATOM 0 HG LEU A 29 5.399 9.527 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.483 11.669 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.026 11.905 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.639 12.036 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.842 9.621 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.052 9.908 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.375 8.364 0.469 1.00 0.00 H new ATOM 499 N ASP A 30 4.559 9.979 4.660 1.00 0.00 N ATOM 500 CA ASP A 30 3.611 10.297 5.718 1.00 0.00 C ATOM 501 C ASP A 30 4.287 11.169 6.770 1.00 0.00 C ATOM 502 O ASP A 30 3.628 11.910 7.498 1.00 0.00 O ATOM 503 CB ASP A 30 3.069 9.017 6.360 1.00 0.00 C ATOM 504 CG ASP A 30 1.870 9.280 7.250 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.960 10.170 8.122 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.840 8.594 7.075 1.00 0.00 O ATOM 0 H ASP A 30 4.726 8.982 4.525 1.00 0.00 H new ATOM 0 HA ASP A 30 2.773 10.843 5.285 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.790 8.311 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.858 8.546 6.947 1.00 0.00 H new ATOM 511 N ASP A 31 5.614 11.097 6.829 1.00 0.00 N ATOM 512 CA ASP A 31 6.368 11.910 7.769 1.00 0.00 C ATOM 513 C ASP A 31 6.507 13.320 7.214 1.00 0.00 C ATOM 514 O ASP A 31 6.552 14.296 7.962 1.00 0.00 O ATOM 515 CB ASP A 31 7.749 11.306 8.031 1.00 0.00 C ATOM 516 CG ASP A 31 8.187 11.470 9.473 1.00 0.00 C ATOM 517 OD1 ASP A 31 7.864 10.586 10.295 1.00 0.00 O ATOM 518 OD2 ASP A 31 8.851 12.482 9.781 1.00 0.00 O ATOM 0 H ASP A 31 6.183 10.488 6.241 1.00 0.00 H new ATOM 0 HA ASP A 31 5.831 11.941 8.717 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.733 10.246 7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.480 11.780 7.376 1.00 0.00 H new ATOM 523 N ASP A 32 6.551 13.417 5.887 1.00 0.00 N ATOM 524 CA ASP A 32 6.657 14.706 5.219 1.00 0.00 C ATOM 525 C ASP A 32 5.283 15.360 5.119 1.00 0.00 C ATOM 526 O ASP A 32 5.163 16.584 5.135 1.00 0.00 O ATOM 527 CB ASP A 32 7.261 14.537 3.824 1.00 0.00 C ATOM 528 CG ASP A 32 8.745 14.233 3.869 1.00 0.00 C ATOM 529 OD1 ASP A 32 9.142 13.322 4.627 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.512 14.904 3.147 1.00 0.00 O ATOM 0 H ASP A 32 6.515 12.617 5.256 1.00 0.00 H new ATOM 0 HA ASP A 32 7.313 15.348 5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.744 13.732 3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.097 15.447 3.247 1.00 0.00 H new ATOM 535 N ILE A 33 4.246 14.529 5.023 1.00 0.00 N ATOM 536 CA ILE A 33 2.882 15.013 4.931 1.00 0.00 C ATOM 537 C ILE A 33 2.426 15.579 6.271 1.00 0.00 C ATOM 538 O ILE A 33 1.719 16.585 6.321 1.00 0.00 O ATOM 539 CB ILE A 33 1.916 13.893 4.469 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.503 12.993 5.638 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.544 13.068 3.355 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.546 11.889 5.242 1.00 0.00 C ATOM 0 H ILE A 33 4.332 13.513 5.007 1.00 0.00 H new ATOM 0 HA ILE A 33 2.861 15.807 4.184 1.00 0.00 H new ATOM 0 HB ILE A 33 1.016 14.371 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.396 12.548 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.039 13.605 6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.850 12.287 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.767 13.714 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.466 12.612 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.297 11.292 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.364 12.326 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.015 11.253 4.491 1.00 0.00 H new ATOM 554 N LYS A 34 2.848 14.934 7.358 1.00 0.00 N ATOM 555 CA LYS A 34 2.490 15.392 8.692 1.00 0.00 C ATOM 556 C LYS A 34 3.361 16.574 9.091 1.00 0.00 C ATOM 557 O LYS A 34 2.908 17.490 9.777 1.00 0.00 O ATOM 558 CB LYS A 34 2.629 14.262 9.714 1.00 0.00 C ATOM 559 CG LYS A 34 4.043 13.716 9.841 1.00 0.00 C ATOM 560 CD LYS A 34 4.557 13.819 11.268 1.00 0.00 C ATOM 561 CE LYS A 34 4.288 12.544 12.051 1.00 0.00 C ATOM 562 NZ LYS A 34 5.069 12.493 13.318 1.00 0.00 N ATOM 0 H LYS A 34 3.434 14.099 7.338 1.00 0.00 H new ATOM 0 HA LYS A 34 1.447 15.709 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.301 14.624 10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.960 13.448 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.061 12.674 9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.707 14.266 9.174 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.628 14.021 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.079 14.662 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.224 12.475 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.539 11.680 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.857 11.608 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.085 12.533 13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.811 13.303 13.918 1.00 0.00 H new ATOM 576 N THR A 35 4.609 16.558 8.634 1.00 0.00 N ATOM 577 CA THR A 35 5.534 17.644 8.922 1.00 0.00 C ATOM 578 C THR A 35 5.091 18.898 8.180 1.00 0.00 C ATOM 579 O THR A 35 5.301 20.018 8.645 1.00 0.00 O ATOM 580 CB THR A 35 6.958 17.259 8.517 1.00 0.00 C ATOM 581 OG1 THR A 35 7.423 16.172 9.297 1.00 0.00 O ATOM 582 CG2 THR A 35 7.955 18.389 8.671 1.00 0.00 C ATOM 0 H THR A 35 5.000 15.807 8.065 1.00 0.00 H new ATOM 0 HA THR A 35 5.529 17.841 9.994 1.00 0.00 H new ATOM 0 HB THR A 35 6.894 16.994 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.558 15.390 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.944 18.046 8.366 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.653 19.228 8.045 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.987 18.707 9.713 1.00 0.00 H new ATOM 590 N ALA A 36 4.461 18.694 7.026 1.00 0.00 N ATOM 591 CA ALA A 36 3.966 19.798 6.219 1.00 0.00 C ATOM 592 C ALA A 36 2.549 20.179 6.638 1.00 0.00 C ATOM 593 O ALA A 36 2.102 21.303 6.400 1.00 0.00 O ATOM 594 CB ALA A 36 4.005 19.434 4.743 1.00 0.00 C ATOM 0 H ALA A 36 4.283 17.771 6.631 1.00 0.00 H new ATOM 0 HA ALA A 36 4.613 20.660 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.631 20.270 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.031 19.212 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.380 18.558 4.568 1.00 0.00 H new ATOM 600 N GLU A 37 1.845 19.239 7.267 1.00 0.00 N ATOM 601 CA GLU A 37 0.481 19.482 7.722 1.00 0.00 C ATOM 602 C GLU A 37 0.476 20.145 9.097 1.00 0.00 C ATOM 603 O GLU A 37 -0.511 20.767 9.491 1.00 0.00 O ATOM 604 CB GLU A 37 -0.303 18.168 7.775 1.00 0.00 C ATOM 605 CG GLU A 37 -1.089 17.876 6.507 1.00 0.00 C ATOM 606 CD GLU A 37 -2.187 16.854 6.724 1.00 0.00 C ATOM 607 OE1 GLU A 37 -1.874 15.733 7.176 1.00 0.00 O ATOM 608 OE2 GLU A 37 -3.360 17.175 6.441 1.00 0.00 O ATOM 0 H GLU A 37 2.198 18.304 7.472 1.00 0.00 H new ATOM 0 HA GLU A 37 0.002 20.155 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.391 17.348 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.991 18.199 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.528 18.802 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.408 17.514 5.737 1.00 0.00 H new ATOM 615 N GLN A 38 1.580 20.006 9.824 1.00 0.00 N ATOM 616 CA GLN A 38 1.698 20.590 11.155 1.00 0.00 C ATOM 617 C GLN A 38 1.493 22.102 11.108 1.00 0.00 C ATOM 618 O GLN A 38 0.855 22.676 11.991 1.00 0.00 O ATOM 619 CB GLN A 38 3.067 20.266 11.757 1.00 0.00 C ATOM 620 CG GLN A 38 3.039 19.103 12.735 1.00 0.00 C ATOM 621 CD GLN A 38 4.420 18.731 13.240 1.00 0.00 C ATOM 622 OE1 GLN A 38 4.994 19.427 14.078 1.00 0.00 O ATOM 623 NE2 GLN A 38 4.960 17.630 12.732 1.00 0.00 N ATOM 0 H GLN A 38 2.406 19.494 9.514 1.00 0.00 H new ATOM 0 HA GLN A 38 0.921 20.157 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.764 20.036 10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.449 21.150 12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.404 19.361 13.582 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.588 18.237 12.251 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.448 17.084 12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.887 17.330 13.034 1.00 0.00 H new ATOM 632 N GLN A 39 2.038 22.742 10.078 1.00 0.00 N ATOM 633 CA GLN A 39 1.912 24.187 9.929 1.00 0.00 C ATOM 634 C GLN A 39 1.205 24.549 8.625 1.00 0.00 C ATOM 635 O GLN A 39 0.603 25.616 8.513 1.00 0.00 O ATOM 636 CB GLN A 39 3.293 24.846 9.974 1.00 0.00 C ATOM 637 CG GLN A 39 4.094 24.685 8.688 1.00 0.00 C ATOM 638 CD GLN A 39 5.393 23.931 8.899 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.329 22.607 8.808 1.00 0.00 O flip ATOM 640 NE2 GLN A 39 6.441 24.530 9.141 1.00 0.00 N flip ATOM 0 H GLN A 39 2.569 22.285 9.337 1.00 0.00 H new ATOM 0 HA GLN A 39 1.309 24.558 10.758 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.171 25.909 10.185 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.862 24.420 10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.488 24.158 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.313 25.670 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.444 25.548 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.306 24.008 9.281 1.00 0.00 H new ATOM 649 N ASN A 40 1.298 23.661 7.637 1.00 0.00 N ATOM 650 CA ASN A 40 0.678 23.901 6.341 1.00 0.00 C ATOM 651 C ASN A 40 1.317 25.104 5.664 1.00 0.00 C ATOM 652 O ASN A 40 0.625 26.009 5.194 1.00 0.00 O ATOM 653 CB ASN A 40 -0.823 24.124 6.507 1.00 0.00 C ATOM 654 CG ASN A 40 -1.614 22.835 6.413 1.00 0.00 C ATOM 655 OD1 ASN A 40 -1.425 21.954 7.389 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -2.385 22.630 5.476 1.00 0.00 N flip ATOM 0 H ASN A 40 1.795 22.773 7.711 1.00 0.00 H new ATOM 0 HA ASN A 40 0.834 23.024 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.013 24.594 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.171 24.817 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.500 23.334 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.909 21.756 5.428 1.00 0.00 H new ATOM 663 N ALA A 41 2.647 25.108 5.622 1.00 0.00 N ATOM 664 CA ALA A 41 3.400 26.198 5.005 1.00 0.00 C ATOM 665 C ALA A 41 2.769 26.636 3.686 1.00 0.00 C ATOM 666 O ALA A 41 2.861 27.801 3.300 1.00 0.00 O ATOM 667 CB ALA A 41 4.846 25.780 4.787 1.00 0.00 C ATOM 0 H ALA A 41 3.228 24.365 6.010 1.00 0.00 H new ATOM 0 HA ALA A 41 3.374 27.050 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.397 26.601 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.301 25.530 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.878 24.909 4.132 1.00 0.00 H new ATOM 673 N SER A 42 2.129 25.694 3.001 1.00 0.00 N ATOM 674 CA SER A 42 1.480 25.984 1.727 1.00 0.00 C ATOM 675 C SER A 42 0.583 24.828 1.297 1.00 0.00 C ATOM 676 O SER A 42 1.039 23.692 1.161 1.00 0.00 O ATOM 677 CB SER A 42 2.529 26.261 0.649 1.00 0.00 C ATOM 678 OG SER A 42 2.788 27.649 0.534 1.00 0.00 O ATOM 0 H SER A 42 2.046 24.724 3.306 1.00 0.00 H new ATOM 0 HA SER A 42 0.860 26.871 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.452 25.735 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.182 25.872 -0.308 1.00 0.00 H new ATOM 0 HG SER A 42 2.874 28.041 1.428 1.00 0.00 H new ATOM 684 N ASP A 43 -0.695 25.126 1.076 1.00 0.00 N ATOM 685 CA ASP A 43 -1.658 24.115 0.652 1.00 0.00 C ATOM 686 C ASP A 43 -1.112 23.324 -0.528 1.00 0.00 C ATOM 687 O ASP A 43 -1.211 22.098 -0.570 1.00 0.00 O ATOM 688 CB ASP A 43 -2.988 24.771 0.274 1.00 0.00 C ATOM 689 CG ASP A 43 -4.179 23.885 0.585 1.00 0.00 C ATOM 690 OD1 ASP A 43 -4.468 23.677 1.783 1.00 0.00 O ATOM 691 OD2 ASP A 43 -4.823 23.400 -0.368 1.00 0.00 O ATOM 0 H ASP A 43 -1.087 26.061 1.184 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.828 23.431 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.090 25.714 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.983 25.009 -0.790 1.00 0.00 H new ATOM 696 N ALA A 44 -0.519 24.038 -1.476 1.00 0.00 N ATOM 697 CA ALA A 44 0.065 23.407 -2.649 1.00 0.00 C ATOM 698 C ALA A 44 1.231 22.518 -2.238 1.00 0.00 C ATOM 699 O ALA A 44 1.514 21.509 -2.883 1.00 0.00 O ATOM 700 CB ALA A 44 0.522 24.461 -3.647 1.00 0.00 C ATOM 0 H ALA A 44 -0.431 25.054 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.693 22.788 -3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.957 23.972 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.332 25.063 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.269 25.103 -3.181 1.00 0.00 H new ATOM 706 N GLU A 45 1.896 22.898 -1.151 1.00 0.00 N ATOM 707 CA GLU A 45 3.025 22.136 -0.635 1.00 0.00 C ATOM 708 C GLU A 45 2.538 20.913 0.125 1.00 0.00 C ATOM 709 O GLU A 45 3.109 19.828 0.011 1.00 0.00 O ATOM 710 CB GLU A 45 3.887 23.008 0.280 1.00 0.00 C ATOM 711 CG GLU A 45 4.699 24.056 -0.464 1.00 0.00 C ATOM 712 CD GLU A 45 5.893 23.464 -1.186 1.00 0.00 C ATOM 713 OE1 GLU A 45 5.684 22.734 -2.178 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.036 23.729 -0.761 1.00 0.00 O ATOM 0 H GLU A 45 1.670 23.733 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 45 3.630 21.808 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.243 23.507 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.566 22.368 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.058 24.563 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.044 24.812 0.242 1.00 0.00 H new ATOM 721 N VAL A 46 1.475 21.093 0.900 1.00 0.00 N ATOM 722 CA VAL A 46 0.910 19.996 1.673 1.00 0.00 C ATOM 723 C VAL A 46 0.091 19.069 0.782 1.00 0.00 C ATOM 724 O VAL A 46 -0.093 17.893 1.096 1.00 0.00 O ATOM 725 CB VAL A 46 0.022 20.504 2.824 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.337 19.360 3.760 1.00 0.00 C ATOM 727 CG2 VAL A 46 0.716 21.625 3.585 1.00 0.00 C ATOM 0 H VAL A 46 0.990 21.984 1.009 1.00 0.00 H new ATOM 0 HA VAL A 46 1.750 19.446 2.099 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.899 20.903 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.965 19.735 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.878 18.593 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.574 18.932 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.071 21.969 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.654 21.256 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.920 22.453 2.906 1.00 0.00 H new ATOM 737 N SER A 47 -0.395 19.604 -0.335 1.00 0.00 N ATOM 738 CA SER A 47 -1.190 18.822 -1.273 1.00 0.00 C ATOM 739 C SER A 47 -0.297 18.015 -2.206 1.00 0.00 C ATOM 740 O SER A 47 -0.726 17.014 -2.780 1.00 0.00 O ATOM 741 CB SER A 47 -2.110 19.734 -2.086 1.00 0.00 C ATOM 742 OG SER A 47 -2.822 18.999 -3.066 1.00 0.00 O ATOM 0 H SER A 47 -0.251 20.575 -0.611 1.00 0.00 H new ATOM 0 HA SER A 47 -1.801 18.127 -0.696 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.813 20.233 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.520 20.513 -2.569 1.00 0.00 H new ATOM 0 HG SER A 47 -3.404 19.605 -3.571 1.00 0.00 H new ATOM 748 N HIS A 48 0.945 18.453 -2.349 1.00 0.00 N ATOM 749 CA HIS A 48 1.898 17.770 -3.208 1.00 0.00 C ATOM 750 C HIS A 48 2.486 16.555 -2.499 1.00 0.00 C ATOM 751 O HIS A 48 2.760 15.530 -3.124 1.00 0.00 O ATOM 752 CB HIS A 48 3.009 18.733 -3.608 1.00 0.00 C ATOM 753 CG HIS A 48 3.511 18.528 -5.004 1.00 0.00 C ATOM 754 ND1 HIS A 48 2.685 18.204 -6.060 1.00 0.00 N ATOM 755 CD2 HIS A 48 4.762 18.603 -5.516 1.00 0.00 C ATOM 756 CE1 HIS A 48 3.406 18.089 -7.161 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.669 18.326 -6.858 1.00 0.00 N ATOM 0 H HIS A 48 1.316 19.279 -1.880 1.00 0.00 H new ATOM 0 HA HIS A 48 1.380 17.426 -4.103 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.644 19.755 -3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.841 18.623 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.665 18.837 -4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.027 17.843 -8.142 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.449 18.307 -7.514 1.00 0.00 H new ATOM 766 N MET A 49 2.673 16.679 -1.190 1.00 0.00 N ATOM 767 CA MET A 49 3.223 15.589 -0.394 1.00 0.00 C ATOM 768 C MET A 49 2.215 14.457 -0.261 1.00 0.00 C ATOM 769 O MET A 49 2.578 13.282 -0.311 1.00 0.00 O ATOM 770 CB MET A 49 3.634 16.093 0.990 1.00 0.00 C ATOM 771 CG MET A 49 4.401 17.405 0.958 1.00 0.00 C ATOM 772 SD MET A 49 6.098 17.238 1.548 1.00 0.00 S ATOM 773 CE MET A 49 6.826 18.747 0.917 1.00 0.00 C ATOM 0 H MET A 49 2.452 17.521 -0.659 1.00 0.00 H new ATOM 0 HA MET A 49 4.106 15.207 -0.905 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.740 16.219 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.248 15.335 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.412 17.789 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.879 18.141 1.570 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.878 18.790 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.742 18.765 -0.170 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.302 19.606 1.335 1.00 0.00 H new ATOM 783 N LYS A 50 0.946 14.815 -0.101 1.00 0.00 N ATOM 784 CA LYS A 50 -0.104 13.815 0.027 1.00 0.00 C ATOM 785 C LYS A 50 -0.245 13.033 -1.267 1.00 0.00 C ATOM 786 O LYS A 50 -0.547 11.840 -1.251 1.00 0.00 O ATOM 787 CB LYS A 50 -1.437 14.462 0.381 1.00 0.00 C ATOM 788 CG LYS A 50 -1.475 15.061 1.778 1.00 0.00 C ATOM 789 CD LYS A 50 -2.876 15.524 2.150 1.00 0.00 C ATOM 790 CE LYS A 50 -3.469 14.674 3.264 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.228 15.496 4.246 1.00 0.00 N ATOM 0 H LYS A 50 0.623 15.781 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 50 0.177 13.136 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.655 15.244 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.227 13.716 0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.131 14.321 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.786 15.904 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.844 16.567 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.521 15.476 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.129 13.921 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.670 14.141 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.616 14.880 4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.592 16.198 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.007 15.985 3.761 1.00 0.00 H new ATOM 805 N LYS A 51 -0.006 13.703 -2.392 1.00 0.00 N ATOM 806 CA LYS A 51 -0.089 13.047 -3.689 1.00 0.00 C ATOM 807 C LYS A 51 0.815 11.824 -3.696 1.00 0.00 C ATOM 808 O LYS A 51 0.508 10.809 -4.322 1.00 0.00 O ATOM 809 CB LYS A 51 0.312 14.011 -4.808 1.00 0.00 C ATOM 810 CG LYS A 51 -0.173 13.582 -6.183 1.00 0.00 C ATOM 811 CD LYS A 51 0.798 12.614 -6.843 1.00 0.00 C ATOM 812 CE LYS A 51 1.510 13.253 -8.025 1.00 0.00 C ATOM 813 NZ LYS A 51 2.975 12.983 -8.003 1.00 0.00 N ATOM 0 H LYS A 51 0.244 14.691 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.119 12.735 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.086 15.001 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.398 14.101 -4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.152 13.112 -6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.298 14.461 -6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.534 12.281 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.258 11.728 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.085 12.873 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.339 14.329 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.424 13.435 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.386 13.368 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.139 11.957 -8.040 1.00 0.00 H new ATOM 827 N GLN A 52 1.923 11.926 -2.968 1.00 0.00 N ATOM 828 CA GLN A 52 2.866 10.825 -2.856 1.00 0.00 C ATOM 829 C GLN A 52 2.373 9.812 -1.825 1.00 0.00 C ATOM 830 O GLN A 52 2.809 8.662 -1.813 1.00 0.00 O ATOM 831 CB GLN A 52 4.249 11.344 -2.463 1.00 0.00 C ATOM 832 CG GLN A 52 5.070 11.844 -3.642 1.00 0.00 C ATOM 833 CD GLN A 52 5.496 10.724 -4.571 1.00 0.00 C ATOM 834 OE1 GLN A 52 5.418 9.548 -4.220 1.00 0.00 O ATOM 835 NE2 GLN A 52 5.951 11.087 -5.765 1.00 0.00 N ATOM 0 H GLN A 52 2.188 12.762 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 52 2.942 10.333 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.133 12.154 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.798 10.547 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.487 12.574 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.955 12.360 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.998 12.075 -6.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.253 10.378 -6.433 1.00 0.00 H new ATOM 844 N LYS A 53 1.452 10.248 -0.963 1.00 0.00 N ATOM 845 CA LYS A 53 0.891 9.379 0.064 1.00 0.00 C ATOM 846 C LYS A 53 0.113 8.238 -0.570 1.00 0.00 C ATOM 847 O LYS A 53 0.462 7.068 -0.416 1.00 0.00 O ATOM 848 CB LYS A 53 -0.035 10.178 0.974 1.00 0.00 C ATOM 849 CG LYS A 53 -0.239 9.550 2.344 1.00 0.00 C ATOM 850 CD LYS A 53 -1.708 9.523 2.734 1.00 0.00 C ATOM 851 CE LYS A 53 -1.914 9.970 4.174 1.00 0.00 C ATOM 852 NZ LYS A 53 -2.504 11.335 4.252 1.00 0.00 N ATOM 0 H LYS A 53 1.081 11.198 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 53 1.712 8.966 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.372 11.181 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.004 10.287 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.156 8.534 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.326 10.110 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.274 10.172 2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.100 8.514 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.568 9.262 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.959 9.957 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.381 11.712 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.026 11.959 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.518 11.288 4.026 1.00 0.00 H new ATOM 866 N LEU A 54 -0.940 8.595 -1.292 1.00 0.00 N ATOM 867 CA LEU A 54 -1.778 7.615 -1.968 1.00 0.00 C ATOM 868 C LEU A 54 -0.938 6.783 -2.925 1.00 0.00 C ATOM 869 O LEU A 54 -1.288 5.650 -3.254 1.00 0.00 O ATOM 870 CB LEU A 54 -2.907 8.312 -2.730 1.00 0.00 C ATOM 871 CG LEU A 54 -3.883 7.372 -3.442 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.160 7.212 -2.629 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.200 7.889 -4.837 1.00 0.00 C ATOM 0 H LEU A 54 -1.235 9.562 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.219 6.957 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.468 8.932 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.467 8.982 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.411 6.394 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.842 6.540 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.919 6.796 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.635 8.185 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.895 7.208 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.651 8.878 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.281 7.951 -5.419 1.00 0.00 H new ATOM 885 N LYS A 55 0.185 7.351 -3.354 1.00 0.00 N ATOM 886 CA LYS A 55 1.086 6.653 -4.260 1.00 0.00 C ATOM 887 C LYS A 55 1.942 5.681 -3.474 1.00 0.00 C ATOM 888 O LYS A 55 2.018 4.497 -3.802 1.00 0.00 O ATOM 889 CB LYS A 55 1.965 7.643 -5.028 1.00 0.00 C ATOM 890 CG LYS A 55 1.280 8.248 -6.241 1.00 0.00 C ATOM 891 CD LYS A 55 2.252 9.062 -7.082 1.00 0.00 C ATOM 892 CE LYS A 55 1.970 8.906 -8.568 1.00 0.00 C ATOM 893 NZ LYS A 55 2.977 8.037 -9.236 1.00 0.00 N ATOM 0 H LYS A 55 0.490 8.288 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 55 0.493 6.101 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.269 8.445 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.874 7.135 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.847 7.454 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.457 8.885 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.181 10.114 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.273 8.745 -6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.976 8.482 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.966 9.888 -9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.749 7.956 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.923 8.455 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.963 7.092 -8.801 1.00 0.00 H new ATOM 907 N LEU A 56 2.549 6.178 -2.408 1.00 0.00 N ATOM 908 CA LEU A 56 3.355 5.334 -1.548 1.00 0.00 C ATOM 909 C LEU A 56 2.441 4.403 -0.763 1.00 0.00 C ATOM 910 O LEU A 56 2.902 3.466 -0.112 1.00 0.00 O ATOM 911 CB LEU A 56 4.203 6.181 -0.598 1.00 0.00 C ATOM 912 CG LEU A 56 5.608 6.512 -1.105 1.00 0.00 C ATOM 913 CD1 LEU A 56 6.472 5.261 -1.135 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.540 7.148 -2.487 1.00 0.00 C ATOM 0 H LEU A 56 2.498 7.155 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 56 4.034 4.742 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.676 7.114 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.291 5.655 0.353 1.00 0.00 H new ATOM 0 HG LEU A 56 6.062 7.227 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.468 5.515 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.547 4.847 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.021 4.523 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.548 7.377 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.067 6.456 -3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.956 8.067 -2.436 1.00 0.00 H new ATOM 926 N LYS A 57 1.130 4.652 -0.852 1.00 0.00 N ATOM 927 CA LYS A 57 0.156 3.812 -0.174 1.00 0.00 C ATOM 928 C LYS A 57 -0.210 2.644 -1.074 1.00 0.00 C ATOM 929 O LYS A 57 -0.529 1.555 -0.602 1.00 0.00 O ATOM 930 CB LYS A 57 -1.101 4.610 0.186 1.00 0.00 C ATOM 931 CG LYS A 57 -2.231 3.750 0.735 1.00 0.00 C ATOM 932 CD LYS A 57 -3.580 4.432 0.569 1.00 0.00 C ATOM 933 CE LYS A 57 -4.332 3.899 -0.641 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.630 3.278 -0.259 1.00 0.00 N ATOM 0 H LYS A 57 0.728 5.424 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 57 0.596 3.441 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.841 5.368 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.454 5.136 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.242 2.789 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.053 3.544 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.179 4.279 1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.434 5.507 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.512 4.712 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.715 3.163 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.990 2.710 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.491 2.666 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.317 4.024 -0.028 1.00 0.00 H new ATOM 948 N ASP A 58 -0.154 2.883 -2.380 1.00 0.00 N ATOM 949 CA ASP A 58 -0.468 1.858 -3.358 1.00 0.00 C ATOM 950 C ASP A 58 0.455 0.662 -3.184 1.00 0.00 C ATOM 951 O ASP A 58 0.040 -0.477 -3.356 1.00 0.00 O ATOM 952 CB ASP A 58 -0.344 2.418 -4.777 1.00 0.00 C ATOM 953 CG ASP A 58 -1.522 2.042 -5.653 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.031 0.910 -5.509 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.935 2.877 -6.484 1.00 0.00 O ATOM 0 H ASP A 58 0.108 3.783 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.496 1.533 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.262 3.504 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.575 2.048 -5.231 1.00 0.00 H new ATOM 960 N GLU A 59 1.708 0.930 -2.833 1.00 0.00 N ATOM 961 CA GLU A 59 2.684 -0.137 -2.632 1.00 0.00 C ATOM 962 C GLU A 59 2.373 -0.934 -1.368 1.00 0.00 C ATOM 963 O GLU A 59 2.458 -2.162 -1.360 1.00 0.00 O ATOM 964 CB GLU A 59 4.097 0.439 -2.550 1.00 0.00 C ATOM 965 CG GLU A 59 4.238 1.578 -1.555 1.00 0.00 C ATOM 966 CD GLU A 59 5.680 2.004 -1.358 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.513 1.708 -2.240 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.977 2.634 -0.320 1.00 0.00 O ATOM 0 H GLU A 59 2.071 1.871 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 59 2.624 -0.810 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.789 -0.358 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.393 0.793 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.655 2.432 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.819 1.272 -0.596 1.00 0.00 H new ATOM 975 N ILE A 60 2.002 -0.226 -0.310 1.00 0.00 N ATOM 976 CA ILE A 60 1.661 -0.859 0.957 1.00 0.00 C ATOM 977 C ILE A 60 0.304 -1.534 0.840 1.00 0.00 C ATOM 978 O ILE A 60 0.097 -2.632 1.349 1.00 0.00 O ATOM 979 CB ILE A 60 1.634 0.170 2.114 1.00 0.00 C ATOM 980 CG1 ILE A 60 3.058 0.611 2.472 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.922 -0.392 3.342 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.872 -0.452 3.183 1.00 0.00 C ATOM 0 H ILE A 60 1.929 0.791 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 60 2.427 -1.601 1.183 1.00 0.00 H new ATOM 0 HB ILE A 60 1.073 1.041 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.578 0.902 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.005 1.497 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.921 0.355 4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.105 -0.647 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.442 -1.286 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.866 -0.063 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.377 -0.727 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.959 -1.331 2.545 1.00 0.00 H new ATOM 994 N HIS A 61 -0.611 -0.871 0.145 1.00 0.00 N ATOM 995 CA HIS A 61 -1.947 -1.409 -0.063 1.00 0.00 C ATOM 996 C HIS A 61 -1.891 -2.549 -1.064 1.00 0.00 C ATOM 997 O HIS A 61 -2.575 -3.561 -0.912 1.00 0.00 O ATOM 998 CB HIS A 61 -2.896 -0.315 -0.559 1.00 0.00 C ATOM 999 CG HIS A 61 -4.294 -0.796 -0.797 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -4.761 -1.831 -1.537 1.00 0.00 N flip ATOM 1001 CD2 HIS A 61 -5.403 -0.192 -0.245 1.00 0.00 C flip ATOM 1002 CE1 HIS A 61 -6.129 -1.830 -1.417 1.00 0.00 C flip ATOM 1003 NE2 HIS A 61 -6.491 -0.832 -0.632 1.00 0.00 N flip ATOM 0 H HIS A 61 -0.451 0.041 -0.284 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.326 -1.786 0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.918 0.493 0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.502 0.103 -1.485 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.385 0.671 0.404 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.800 -2.532 -1.889 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.448 -0.596 -0.369 1.00 0.00 H new ATOM 1012 N SER A 62 -1.054 -2.385 -2.082 1.00 0.00 N ATOM 1013 CA SER A 62 -0.893 -3.412 -3.099 1.00 0.00 C ATOM 1014 C SER A 62 -0.357 -4.689 -2.475 1.00 0.00 C ATOM 1015 O SER A 62 -0.715 -5.789 -2.894 1.00 0.00 O ATOM 1016 CB SER A 62 0.048 -2.949 -4.212 1.00 0.00 C ATOM 1017 OG SER A 62 1.313 -2.582 -3.689 1.00 0.00 O ATOM 0 H SER A 62 -0.480 -1.554 -2.223 1.00 0.00 H new ATOM 0 HA SER A 62 -1.873 -3.604 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.171 -3.747 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.393 -2.101 -4.736 1.00 0.00 H new ATOM 0 HG SER A 62 1.297 -2.656 -2.712 1.00 0.00 H new ATOM 1023 N MET A 63 0.506 -4.547 -1.466 1.00 0.00 N ATOM 1024 CA MET A 63 1.069 -5.719 -0.804 1.00 0.00 C ATOM 1025 C MET A 63 -0.039 -6.626 -0.276 1.00 0.00 C ATOM 1026 O MET A 63 0.022 -7.846 -0.430 1.00 0.00 O ATOM 1027 CB MET A 63 1.996 -5.310 0.336 1.00 0.00 C ATOM 1028 CG MET A 63 2.910 -6.433 0.798 1.00 0.00 C ATOM 1029 SD MET A 63 4.650 -6.106 0.456 1.00 0.00 S ATOM 1030 CE MET A 63 5.235 -7.755 0.074 1.00 0.00 C ATOM 0 H MET A 63 0.823 -3.650 -1.098 1.00 0.00 H new ATOM 0 HA MET A 63 1.651 -6.270 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.604 -4.464 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.395 -4.969 1.179 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.778 -6.585 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.616 -7.360 0.306 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.829 -8.132 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 63 4.383 -8.414 -0.092 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.850 -7.724 -0.825 1.00 0.00 H new ATOM 1040 N ILE A 64 -1.055 -6.026 0.340 1.00 0.00 N ATOM 1041 CA ILE A 64 -2.177 -6.790 0.875 1.00 0.00 C ATOM 1042 C ILE A 64 -2.884 -7.544 -0.241 1.00 0.00 C ATOM 1043 O ILE A 64 -3.226 -8.718 -0.092 1.00 0.00 O ATOM 1044 CB ILE A 64 -3.187 -5.879 1.602 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -2.528 -5.232 2.821 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -4.428 -6.662 2.015 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -2.180 -3.774 2.606 1.00 0.00 C ATOM 0 H ILE A 64 -1.124 -5.018 0.480 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.774 -7.500 1.597 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.500 -5.094 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.198 -5.317 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.621 -5.783 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.125 -5.997 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.907 -7.078 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.141 -7.471 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.716 -3.374 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.486 -3.685 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.088 -3.212 2.385 1.00 0.00 H new ATOM 1059 N ILE A 65 -3.085 -6.869 -1.369 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.734 -7.487 -2.518 1.00 0.00 C ATOM 1061 C ILE A 65 -3.005 -8.766 -2.900 1.00 0.00 C ATOM 1062 O ILE A 65 -3.621 -9.812 -3.104 1.00 0.00 O ATOM 1063 CB ILE A 65 -3.754 -6.541 -3.733 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.326 -5.175 -3.344 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -4.558 -7.154 -4.870 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.689 -5.252 -2.687 1.00 0.00 C ATOM 0 H ILE A 65 -2.809 -5.897 -1.511 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.763 -7.710 -2.234 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.729 -6.397 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.632 -4.680 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.397 -4.553 -4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.562 -6.473 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.107 -8.101 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.582 -7.328 -4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.031 -4.247 -2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.397 -5.718 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.621 -5.847 -1.776 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.683 -8.675 -2.969 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.859 -9.826 -3.295 1.00 0.00 C ATOM 1080 C GLU A 66 -0.806 -10.782 -2.109 1.00 0.00 C ATOM 1081 O GLU A 66 -0.510 -11.967 -2.264 1.00 0.00 O ATOM 1082 CB GLU A 66 0.557 -9.382 -3.674 1.00 0.00 C ATOM 1083 CG GLU A 66 0.697 -8.973 -5.133 1.00 0.00 C ATOM 1084 CD GLU A 66 1.738 -9.791 -5.871 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.852 -9.959 -5.332 1.00 0.00 O ATOM 1086 OE2 GLU A 66 1.440 -10.262 -6.988 1.00 0.00 O ATOM 0 H GLU A 66 -1.161 -7.815 -2.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.302 -10.340 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.848 -8.544 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.252 -10.195 -3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.266 -9.083 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.965 -7.918 -5.186 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.104 -10.257 -0.919 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.098 -11.064 0.294 1.00 0.00 C ATOM 1095 C TYR A 67 -2.371 -11.897 0.394 1.00 0.00 C ATOM 1096 O TYR A 67 -2.336 -13.056 0.810 1.00 0.00 O ATOM 1097 CB TYR A 67 -0.960 -10.173 1.529 1.00 0.00 C ATOM 1098 CG TYR A 67 -0.209 -10.828 2.666 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -0.850 -11.701 3.536 1.00 0.00 C ATOM 1100 CD2 TYR A 67 1.143 -10.575 2.868 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -0.167 -12.303 4.576 1.00 0.00 C ATOM 1102 CE2 TYR A 67 1.833 -11.173 3.905 1.00 0.00 C ATOM 1103 CZ TYR A 67 1.174 -12.036 4.756 1.00 0.00 C ATOM 1104 OH TYR A 67 1.857 -12.634 5.789 1.00 0.00 O ATOM 0 H TYR A 67 -1.352 -9.278 -0.774 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.243 -11.738 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.447 -9.253 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.954 -9.890 1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.900 -11.913 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.662 -9.900 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.681 -12.979 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.883 -10.966 4.049 1.00 0.00 H new ATOM 0 HH TYR A 67 2.792 -12.341 5.776 1.00 0.00 H new ATOM 1114 N ARG A 68 -3.492 -11.302 0.003 1.00 0.00 N ATOM 1115 CA ARG A 68 -4.775 -11.994 0.045 1.00 0.00 C ATOM 1116 C ARG A 68 -4.873 -13.010 -1.091 1.00 0.00 C ATOM 1117 O ARG A 68 -5.577 -14.013 -0.980 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.929 -10.991 -0.037 1.00 0.00 C ATOM 1119 CG ARG A 68 -6.051 -10.306 -1.390 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.446 -10.467 -1.975 1.00 0.00 C ATOM 1121 NE ARG A 68 -8.369 -9.448 -1.479 1.00 0.00 N ATOM 1122 CZ ARG A 68 -9.522 -9.143 -2.067 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -9.899 -9.774 -3.173 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -10.302 -8.203 -1.550 1.00 0.00 N ATOM 0 H ARG A 68 -3.539 -10.345 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.846 -12.527 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.863 -11.507 0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.794 -10.232 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.820 -9.246 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.317 -10.725 -2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.392 -10.409 -3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.831 -11.456 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.114 -8.941 -0.632 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.303 -10.497 -3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.785 -9.536 -3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.017 -7.714 -0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.186 -7.969 -2.001 1.00 0.00 H new ATOM 1138 N GLU A 69 -4.153 -12.746 -2.176 1.00 0.00 N ATOM 1139 CA GLU A 69 -4.147 -13.639 -3.328 1.00 0.00 C ATOM 1140 C GLU A 69 -3.104 -14.740 -3.148 1.00 0.00 C ATOM 1141 O GLU A 69 -3.136 -15.755 -3.838 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.865 -12.852 -4.610 1.00 0.00 C ATOM 1143 CG GLU A 69 -4.878 -13.107 -5.714 1.00 0.00 C ATOM 1144 CD GLU A 69 -4.842 -12.043 -6.794 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -5.347 -10.929 -6.548 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -4.306 -12.326 -7.887 1.00 0.00 O ATOM 0 H GLU A 69 -3.565 -11.919 -2.281 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.131 -14.102 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.853 -11.787 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.870 -13.110 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.684 -14.081 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.878 -13.148 -5.282 1.00 0.00 H new ATOM 1153 N LYS A 70 -2.190 -14.533 -2.205 1.00 0.00 N ATOM 1154 CA LYS A 70 -1.149 -15.502 -1.914 1.00 0.00 C ATOM 1155 C LYS A 70 -1.636 -16.462 -0.842 1.00 0.00 C ATOM 1156 O LYS A 70 -1.443 -17.667 -0.941 1.00 0.00 O ATOM 1157 CB LYS A 70 0.126 -14.792 -1.454 1.00 0.00 C ATOM 1158 CG LYS A 70 1.210 -15.736 -0.958 1.00 0.00 C ATOM 1159 CD LYS A 70 2.587 -15.094 -1.037 1.00 0.00 C ATOM 1160 CE LYS A 70 2.667 -13.837 -0.184 1.00 0.00 C ATOM 1161 NZ LYS A 70 3.597 -14.006 0.967 1.00 0.00 N ATOM 0 H LYS A 70 -2.153 -13.694 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.919 -16.063 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.521 -14.203 -2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.126 -14.093 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.000 -16.024 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.199 -16.649 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.342 -15.808 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.815 -14.846 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.999 -13.001 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.673 -13.585 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.624 -13.128 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.266 -14.787 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.551 -14.221 0.614 1.00 0.00 H new ATOM 1175 N GLN A 71 -2.283 -15.913 0.179 1.00 0.00 N ATOM 1176 CA GLN A 71 -2.812 -16.722 1.266 1.00 0.00 C ATOM 1177 C GLN A 71 -4.066 -17.453 0.823 1.00 0.00 C ATOM 1178 O GLN A 71 -4.396 -18.507 1.356 1.00 0.00 O ATOM 1179 CB GLN A 71 -3.108 -15.854 2.488 1.00 0.00 C ATOM 1180 CG GLN A 71 -3.232 -16.643 3.782 1.00 0.00 C ATOM 1181 CD GLN A 71 -1.885 -16.965 4.399 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -0.997 -16.115 4.458 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -1.727 -18.199 4.862 1.00 0.00 N ATOM 0 H GLN A 71 -2.453 -14.912 0.275 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.058 -17.460 1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.315 -15.114 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.034 -15.305 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.827 -16.073 4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.770 -17.571 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.491 -18.872 4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.842 -18.475 5.288 1.00 0.00 H new ATOM 1192 N LYS A 72 -4.761 -16.906 -0.163 1.00 0.00 N ATOM 1193 CA LYS A 72 -5.962 -17.552 -0.658 1.00 0.00 C ATOM 1194 C LYS A 72 -5.622 -18.504 -1.792 1.00 0.00 C ATOM 1195 O LYS A 72 -6.322 -19.487 -2.023 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.996 -16.518 -1.109 1.00 0.00 C ATOM 1197 CG LYS A 72 -8.425 -17.040 -1.098 1.00 0.00 C ATOM 1198 CD LYS A 72 -9.363 -16.084 -0.378 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.565 -16.489 1.073 1.00 0.00 C ATOM 1200 NZ LYS A 72 -8.474 -15.978 1.950 1.00 0.00 N ATOM 0 H LYS A 72 -4.518 -16.031 -0.628 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.400 -18.128 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.932 -15.645 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.748 -16.184 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.768 -17.185 -2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.453 -18.015 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.958 -15.073 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.326 -16.064 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.523 -16.108 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.609 -17.576 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.649 -16.276 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.562 -16.362 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.448 -14.939 1.903 1.00 0.00 H new ATOM 1214 N SER A 73 -4.526 -18.229 -2.480 1.00 0.00 N ATOM 1215 CA SER A 73 -4.084 -19.090 -3.559 1.00 0.00 C ATOM 1216 C SER A 73 -3.152 -20.152 -3.001 1.00 0.00 C ATOM 1217 O SER A 73 -3.149 -21.296 -3.452 1.00 0.00 O ATOM 1218 CB SER A 73 -3.373 -18.282 -4.639 1.00 0.00 C ATOM 1219 OG SER A 73 -3.052 -19.091 -5.757 1.00 0.00 O ATOM 0 H SER A 73 -3.930 -17.419 -2.310 1.00 0.00 H new ATOM 0 HA SER A 73 -4.953 -19.567 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.009 -17.455 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.462 -17.845 -4.230 1.00 0.00 H new ATOM 0 HG SER A 73 -2.598 -18.547 -6.435 1.00 0.00 H new ATOM 1225 N GLU A 74 -2.363 -19.758 -2.001 1.00 0.00 N ATOM 1226 CA GLU A 74 -1.428 -20.677 -1.367 1.00 0.00 C ATOM 1227 C GLU A 74 -2.100 -21.452 -0.235 1.00 0.00 C ATOM 1228 O GLU A 74 -1.865 -22.650 -0.078 1.00 0.00 O ATOM 1229 CB GLU A 74 -0.206 -19.929 -0.833 1.00 0.00 C ATOM 1230 CG GLU A 74 0.979 -20.833 -0.532 1.00 0.00 C ATOM 1231 CD GLU A 74 2.168 -20.071 0.019 1.00 0.00 C ATOM 1232 OE1 GLU A 74 2.479 -18.988 -0.520 1.00 0.00 O ATOM 1233 OE2 GLU A 74 2.788 -20.557 0.988 1.00 0.00 O ATOM 0 H GLU A 74 -2.355 -18.813 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.100 -21.387 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.097 -19.178 -1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.485 -19.396 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.677 -21.596 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.276 -21.353 -1.443 1.00 0.00 H new ATOM 1240 N ARG A 75 -2.943 -20.778 0.553 1.00 0.00 N ATOM 1241 CA ARG A 75 -3.633 -21.451 1.647 1.00 0.00 C ATOM 1242 C ARG A 75 -4.970 -21.994 1.171 1.00 0.00 C ATOM 1243 O ARG A 75 -5.430 -23.037 1.632 1.00 0.00 O ATOM 1244 CB ARG A 75 -3.834 -20.511 2.838 1.00 0.00 C ATOM 1245 CG ARG A 75 -3.627 -21.186 4.184 1.00 0.00 C ATOM 1246 CD ARG A 75 -4.421 -20.498 5.284 1.00 0.00 C ATOM 1247 NE ARG A 75 -5.827 -20.896 5.276 1.00 0.00 N ATOM 1248 CZ ARG A 75 -6.798 -20.203 4.682 1.00 0.00 C ATOM 1249 NH1 ARG A 75 -6.528 -19.072 4.041 1.00 0.00 N ATOM 1250 NH2 ARG A 75 -8.048 -20.644 4.729 1.00 0.00 N ATOM 0 H ARG A 75 -3.159 -19.786 0.454 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.010 -22.282 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.142 -19.673 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.842 -20.098 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.928 -22.232 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.567 -21.175 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.982 -20.738 6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.350 -19.417 5.161 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.081 -21.759 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.570 -18.726 4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.279 -18.550 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.265 -21.512 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.793 -20.115 4.275 1.00 0.00 H new ATOM 1264 N ALA A 76 -5.588 -21.277 0.237 1.00 0.00 N ATOM 1265 CA ALA A 76 -6.877 -21.695 -0.307 1.00 0.00 C ATOM 1266 C ALA A 76 -6.743 -22.138 -1.761 1.00 0.00 C ATOM 1267 O ALA A 76 -7.765 -22.549 -2.349 1.00 0.00 O ATOM 1268 CB ALA A 76 -7.898 -20.574 -0.181 1.00 0.00 C ATOM 1269 OXT ALA A 76 -5.618 -22.069 -2.298 1.00 0.00 O ATOM 0 H ALA A 76 -5.221 -20.411 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.226 -22.549 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.853 -20.903 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.025 -20.314 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.549 -19.700 -0.731 1.00 0.00 H new TER 1275 ALA A 76