USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 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 63 THR OG1 : rot 120:sc= 0.649 USER MOD Set 1.2: A 65 ASN : amide:sc= -1.08! K(o=-0.43!,f=-2.1) USER MOD Set 2.1: A 53 ASN : amide:sc= -1.43! C(o=-1.5!,f=-0.92!) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -178:sc= -0.0406 (180deg=-0.0493) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.546 X(o=-3.5,f=-3.9) USER MOD Set 3.2: A 47 HIS : no HE2:sc= -4.06! K(o=-3.5!,f=-7.3) USER MOD Set 4.1: A 14 HIS : no HD1:sc= -0.568 K(o=-0.73,f=-1.6) USER MOD Set 4.2: A 33 THR OG1 : rot 60:sc= -0.163 USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.814 (180deg=-1.47!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0.0204 (180deg=0.0139) USER MOD Single : A 35 SER OG : rot 121:sc= 0.901 USER MOD Single : A 38 SER OG : rot 140:sc= -2.02! USER MOD Single : A 39 THR OG1 : rot 98:sc= 0.367 USER MOD Single : A 44 MET CE :methyl 148:sc= -12.5! (180deg=-14.4!) USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.0881 USER MOD Single : A 52 TYR OH : rot -140:sc= 0.078 USER MOD Single : A 56 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.19) USER MOD Single : A 57 HIS : no HD1:sc= -3.94 K(o=-3.9,f=-4.5) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -6.83! C(o=-6.8!,f=-4.2!) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.031 (180deg=-0.329) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.563 3.893 -9.884 1.00 0.00 N ATOM 25 CA PHE A 10 10.699 3.712 -8.929 1.00 0.00 C ATOM 26 C PHE A 10 10.232 2.927 -7.699 1.00 0.00 C ATOM 27 O PHE A 10 9.200 3.214 -7.120 1.00 0.00 O ATOM 28 CB PHE A 10 11.134 5.144 -8.556 1.00 0.00 C ATOM 29 CG PHE A 10 11.517 5.241 -7.085 1.00 0.00 C ATOM 30 CD1 PHE A 10 12.832 4.975 -6.676 1.00 0.00 C ATOM 31 CD2 PHE A 10 10.553 5.608 -6.136 1.00 0.00 C ATOM 32 CE1 PHE A 10 13.178 5.079 -5.323 1.00 0.00 C ATOM 33 CE2 PHE A 10 10.899 5.710 -4.784 1.00 0.00 C ATOM 34 CZ PHE A 10 12.213 5.446 -4.377 1.00 0.00 C ATOM 0 HA PHE A 10 11.525 3.145 -9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.980 5.442 -9.175 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.323 5.840 -8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.577 4.690 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.540 5.813 -6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.191 4.876 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.154 5.992 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.482 5.525 -3.334 1.00 0.00 H new ATOM 44 N VAL A 11 11.008 1.962 -7.279 1.00 0.00 N ATOM 45 CA VAL A 11 10.642 1.180 -6.065 1.00 0.00 C ATOM 46 C VAL A 11 11.484 1.694 -4.903 1.00 0.00 C ATOM 47 O VAL A 11 12.697 1.607 -4.923 1.00 0.00 O ATOM 48 CB VAL A 11 10.957 -0.296 -6.374 1.00 0.00 C ATOM 49 CG1 VAL A 11 12.427 -0.468 -6.783 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.677 -1.144 -5.125 1.00 0.00 C ATOM 0 H VAL A 11 11.881 1.683 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 11 9.590 1.281 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 11 10.326 -0.621 -7.201 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.625 -1.519 -6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 11 12.629 0.127 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.072 -0.135 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.898 -2.190 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.305 -0.800 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.628 -1.045 -4.845 1.00 0.00 H new ATOM 60 N ASP A 12 10.852 2.264 -3.913 1.00 0.00 N ATOM 61 CA ASP A 12 11.611 2.822 -2.763 1.00 0.00 C ATOM 62 C ASP A 12 12.676 1.839 -2.270 1.00 0.00 C ATOM 63 O ASP A 12 12.377 0.840 -1.644 1.00 0.00 O ATOM 64 CB ASP A 12 10.566 3.086 -1.683 1.00 0.00 C ATOM 65 CG ASP A 12 11.224 3.819 -0.520 1.00 0.00 C ATOM 66 OD1 ASP A 12 11.474 5.002 -0.656 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.470 3.181 0.484 1.00 0.00 O ATOM 0 H ASP A 12 9.839 2.366 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 12 12.148 3.730 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.748 3.682 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.135 2.146 -1.339 1.00 0.00 H new ATOM 72 N ASP A 13 13.925 2.134 -2.546 1.00 0.00 N ATOM 73 CA ASP A 13 15.034 1.252 -2.102 1.00 0.00 C ATOM 74 C ASP A 13 15.172 1.335 -0.583 1.00 0.00 C ATOM 75 O ASP A 13 15.664 0.424 0.057 1.00 0.00 O ATOM 76 CB ASP A 13 16.282 1.806 -2.794 1.00 0.00 C ATOM 77 CG ASP A 13 17.350 0.713 -2.875 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.338 -0.029 -3.844 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.162 0.636 -1.967 1.00 0.00 O ATOM 0 H ASP A 13 14.219 2.960 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 13 14.869 0.204 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.030 2.157 -3.795 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.666 2.664 -2.242 1.00 0.00 H new ATOM 84 N HIS A 14 14.729 2.425 -0.005 1.00 0.00 N ATOM 85 CA HIS A 14 14.812 2.585 1.471 1.00 0.00 C ATOM 86 C HIS A 14 13.924 1.537 2.160 1.00 0.00 C ATOM 87 O HIS A 14 14.207 1.102 3.260 1.00 0.00 O ATOM 88 CB HIS A 14 14.309 4.011 1.732 1.00 0.00 C ATOM 89 CG HIS A 14 14.392 4.330 3.201 1.00 0.00 C ATOM 90 ND1 HIS A 14 13.475 3.841 4.119 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.277 5.089 3.925 1.00 0.00 C ATOM 92 CE1 HIS A 14 13.826 4.306 5.331 1.00 0.00 C ATOM 93 NE2 HIS A 14 14.918 5.073 5.270 1.00 0.00 N ATOM 0 H HIS A 14 14.312 3.213 -0.500 1.00 0.00 H new ATOM 0 HA HIS A 14 15.819 2.439 1.863 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.905 4.725 1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.279 4.110 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.124 5.618 3.514 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.290 4.086 6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.388 5.545 6.043 1.00 0.00 H new ATOM 101 N LEU A 15 12.872 1.107 1.504 1.00 0.00 N ATOM 102 CA LEU A 15 11.986 0.066 2.094 1.00 0.00 C ATOM 103 C LEU A 15 12.681 -1.286 1.940 1.00 0.00 C ATOM 104 O LEU A 15 12.635 -2.125 2.817 1.00 0.00 O ATOM 105 CB LEU A 15 10.667 0.156 1.293 1.00 0.00 C ATOM 106 CG LEU A 15 10.555 -0.953 0.235 1.00 0.00 C ATOM 107 CD1 LEU A 15 10.097 -2.259 0.894 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.530 -0.534 -0.823 1.00 0.00 C ATOM 0 H LEU A 15 12.592 1.437 0.581 1.00 0.00 H new ATOM 0 HA LEU A 15 11.780 0.199 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.822 0.089 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.605 1.129 0.805 1.00 0.00 H new ATOM 0 HG LEU A 15 11.528 -1.109 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.020 -3.040 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.821 -2.558 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.124 -2.109 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.445 -1.316 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.560 -0.380 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.854 0.393 -1.296 1.00 0.00 H new ATOM 120 N LEU A 16 13.346 -1.477 0.827 1.00 0.00 N ATOM 121 CA LEU A 16 14.083 -2.747 0.589 1.00 0.00 C ATOM 122 C LEU A 16 15.151 -2.933 1.665 1.00 0.00 C ATOM 123 O LEU A 16 15.273 -3.987 2.253 1.00 0.00 O ATOM 124 CB LEU A 16 14.743 -2.592 -0.780 1.00 0.00 C ATOM 125 CG LEU A 16 13.802 -3.143 -1.841 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.783 -2.073 -2.207 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.604 -3.544 -3.079 1.00 0.00 C ATOM 0 H LEU A 16 13.407 -0.798 0.069 1.00 0.00 H new ATOM 0 HA LEU A 16 13.422 -3.613 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.962 -1.543 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.693 -3.126 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 16 13.284 -4.021 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.105 -2.461 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.213 -1.795 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.300 -1.196 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.929 -3.939 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.124 -2.671 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.332 -4.309 -2.809 1.00 0.00 H new ATOM 139 N GLU A 17 15.918 -1.902 1.933 1.00 0.00 N ATOM 140 CA GLU A 17 16.983 -2.000 2.985 1.00 0.00 C ATOM 141 C GLU A 17 16.395 -2.527 4.309 1.00 0.00 C ATOM 142 O GLU A 17 17.104 -3.072 5.134 1.00 0.00 O ATOM 143 CB GLU A 17 17.531 -0.569 3.137 1.00 0.00 C ATOM 144 CG GLU A 17 17.036 0.064 4.442 1.00 0.00 C ATOM 145 CD GLU A 17 17.518 1.512 4.529 1.00 0.00 C ATOM 146 OE1 GLU A 17 18.644 1.718 4.953 1.00 0.00 O ATOM 147 OE2 GLU A 17 16.754 2.393 4.173 1.00 0.00 O ATOM 0 H GLU A 17 15.853 -0.996 1.469 1.00 0.00 H new ATOM 0 HA GLU A 17 17.772 -2.700 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.621 -0.588 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.215 0.039 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.947 0.030 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.405 -0.504 5.296 1.00 0.00 H new ATOM 154 N LYS A 18 15.106 -2.373 4.511 1.00 0.00 N ATOM 155 CA LYS A 18 14.472 -2.867 5.771 1.00 0.00 C ATOM 156 C LYS A 18 13.684 -4.162 5.511 1.00 0.00 C ATOM 157 O LYS A 18 13.480 -4.958 6.408 1.00 0.00 O ATOM 158 CB LYS A 18 13.528 -1.742 6.202 1.00 0.00 C ATOM 159 CG LYS A 18 14.320 -0.655 6.936 1.00 0.00 C ATOM 160 CD LYS A 18 13.900 0.725 6.418 1.00 0.00 C ATOM 161 CE LYS A 18 13.041 1.434 7.473 1.00 0.00 C ATOM 162 NZ LYS A 18 11.631 1.236 7.027 1.00 0.00 N ATOM 0 H LYS A 18 14.467 -1.925 3.854 1.00 0.00 H new ATOM 0 HA LYS A 18 15.211 -3.101 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.031 -1.317 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.748 -2.138 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.141 -0.722 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.389 -0.803 6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.783 1.323 6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.339 0.620 5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.204 1.009 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.289 2.494 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.009 1.893 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.561 1.420 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.339 0.257 7.223 1.00 0.00 H new ATOM 176 N VAL A 19 13.236 -4.376 4.294 1.00 0.00 N ATOM 177 CA VAL A 19 12.459 -5.614 3.982 1.00 0.00 C ATOM 178 C VAL A 19 13.396 -6.811 3.786 1.00 0.00 C ATOM 179 O VAL A 19 13.085 -7.915 4.191 1.00 0.00 O ATOM 180 CB VAL A 19 11.695 -5.293 2.697 1.00 0.00 C ATOM 181 CG1 VAL A 19 12.542 -5.641 1.470 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.400 -6.103 2.680 1.00 0.00 C ATOM 0 H VAL A 19 13.377 -3.745 3.505 1.00 0.00 H new ATOM 0 HA VAL A 19 11.785 -5.889 4.793 1.00 0.00 H new ATOM 0 HB VAL A 19 11.469 -4.227 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.983 -5.406 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.464 -5.061 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.782 -6.704 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.845 -5.883 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.636 -7.167 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.794 -5.838 3.546 1.00 0.00 H new ATOM 192 N LEU A 20 14.552 -6.595 3.203 1.00 0.00 N ATOM 193 CA LEU A 20 15.522 -7.726 3.027 1.00 0.00 C ATOM 194 C LEU A 20 15.915 -8.171 4.419 1.00 0.00 C ATOM 195 O LEU A 20 16.083 -9.342 4.700 1.00 0.00 O ATOM 196 CB LEU A 20 16.748 -7.163 2.291 1.00 0.00 C ATOM 197 CG LEU A 20 16.306 -6.361 1.073 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.410 -5.374 0.686 1.00 0.00 C ATOM 199 CD2 LEU A 20 16.027 -7.306 -0.099 1.00 0.00 C ATOM 0 H LEU A 20 14.865 -5.693 2.844 1.00 0.00 H new ATOM 0 HA LEU A 20 15.107 -8.561 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.326 -6.529 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.402 -7.978 1.981 1.00 0.00 H new ATOM 0 HG LEU A 20 15.395 -5.813 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.095 -4.799 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.600 -4.696 1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.322 -5.922 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 20 15.711 -6.726 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.933 -7.860 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.237 -8.005 0.177 1.00 0.00 H new ATOM 211 N GLU A 21 16.025 -7.211 5.297 1.00 0.00 N ATOM 212 CA GLU A 21 16.364 -7.509 6.712 1.00 0.00 C ATOM 213 C GLU A 21 15.266 -8.385 7.330 1.00 0.00 C ATOM 214 O GLU A 21 15.537 -9.244 8.148 1.00 0.00 O ATOM 215 CB GLU A 21 16.409 -6.150 7.410 1.00 0.00 C ATOM 216 CG GLU A 21 17.864 -5.751 7.668 1.00 0.00 C ATOM 217 CD GLU A 21 17.901 -4.483 8.524 1.00 0.00 C ATOM 218 OE1 GLU A 21 17.878 -3.404 7.953 1.00 0.00 O ATOM 219 OE2 GLU A 21 17.952 -4.611 9.737 1.00 0.00 O ATOM 0 H GLU A 21 15.892 -6.222 5.088 1.00 0.00 H new ATOM 0 HA GLU A 21 17.308 -8.045 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.919 -5.397 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.862 -6.196 8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.390 -6.560 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.378 -5.579 6.722 1.00 0.00 H new ATOM 226 N LEU A 22 14.027 -8.181 6.929 1.00 0.00 N ATOM 227 CA LEU A 22 12.914 -9.013 7.480 1.00 0.00 C ATOM 228 C LEU A 22 12.896 -10.374 6.780 1.00 0.00 C ATOM 229 O LEU A 22 12.483 -11.366 7.346 1.00 0.00 O ATOM 230 CB LEU A 22 11.634 -8.221 7.185 1.00 0.00 C ATOM 231 CG LEU A 22 11.203 -7.422 8.425 1.00 0.00 C ATOM 232 CD1 LEU A 22 12.432 -6.853 9.144 1.00 0.00 C ATOM 233 CD2 LEU A 22 10.292 -6.270 7.994 1.00 0.00 C ATOM 0 H LEU A 22 13.745 -7.477 6.247 1.00 0.00 H new ATOM 0 HA LEU A 22 13.021 -9.206 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.802 -7.543 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.837 -8.903 6.888 1.00 0.00 H new ATOM 0 HG LEU A 22 10.668 -8.085 9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.112 -6.289 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.082 -7.671 9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.977 -6.194 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.985 -5.701 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.832 -5.616 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.410 -6.671 7.494 1.00 0.00 H new ATOM 245 N ASN A 23 13.376 -10.429 5.562 1.00 0.00 N ATOM 246 CA ASN A 23 13.429 -11.731 4.832 1.00 0.00 C ATOM 247 C ASN A 23 14.710 -12.487 5.227 1.00 0.00 C ATOM 248 O ASN A 23 14.871 -13.653 4.917 1.00 0.00 O ATOM 249 CB ASN A 23 13.462 -11.361 3.345 1.00 0.00 C ATOM 250 CG ASN A 23 12.050 -11.012 2.868 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.188 -11.868 2.805 1.00 0.00 O ATOM 252 ND2 ASN A 23 11.773 -9.784 2.523 1.00 0.00 N ATOM 0 H ASN A 23 13.733 -9.627 5.042 1.00 0.00 H new ATOM 0 HA ASN A 23 12.581 -12.375 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.130 -10.514 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.858 -12.193 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.835 -9.544 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.494 -9.065 2.575 1.00 0.00 H new ATOM 259 N ALA A 24 15.618 -11.823 5.909 1.00 0.00 N ATOM 260 CA ALA A 24 16.883 -12.468 6.333 1.00 0.00 C ATOM 261 C ALA A 24 16.716 -13.116 7.707 1.00 0.00 C ATOM 262 O ALA A 24 17.193 -14.211 7.943 1.00 0.00 O ATOM 263 CB ALA A 24 17.899 -11.329 6.405 1.00 0.00 C ATOM 0 H ALA A 24 15.524 -10.847 6.189 1.00 0.00 H new ATOM 0 HA ALA A 24 17.193 -13.255 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.867 -11.724 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.993 -10.863 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.563 -10.587 7.129 1.00 0.00 H new ATOM 269 N LYS A 25 16.040 -12.453 8.619 1.00 0.00 N ATOM 270 CA LYS A 25 15.846 -13.046 9.973 1.00 0.00 C ATOM 271 C LYS A 25 14.454 -13.681 10.075 1.00 0.00 C ATOM 272 O LYS A 25 14.241 -14.606 10.837 1.00 0.00 O ATOM 273 CB LYS A 25 16.031 -11.878 10.962 1.00 0.00 C ATOM 274 CG LYS A 25 14.700 -11.165 11.229 1.00 0.00 C ATOM 275 CD LYS A 25 14.021 -11.787 12.455 1.00 0.00 C ATOM 276 CE LYS A 25 14.487 -11.067 13.725 1.00 0.00 C ATOM 277 NZ LYS A 25 15.172 -12.111 14.540 1.00 0.00 N ATOM 0 H LYS A 25 15.619 -11.534 8.481 1.00 0.00 H new ATOM 0 HA LYS A 25 16.555 -13.845 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.441 -12.253 11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.753 -11.168 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.872 -10.102 11.396 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.050 -11.249 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.938 -11.712 12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.263 -12.848 12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.164 -10.247 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.644 -10.637 14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.517 -11.689 15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.502 -12.875 14.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.975 -12.498 14.005 1.00 0.00 H new ATOM 291 N GLY A 26 13.508 -13.190 9.312 1.00 0.00 N ATOM 292 CA GLY A 26 12.129 -13.760 9.355 1.00 0.00 C ATOM 293 C GLY A 26 11.200 -12.807 10.110 1.00 0.00 C ATOM 294 O GLY A 26 10.216 -13.222 10.694 1.00 0.00 O ATOM 0 H GLY A 26 13.634 -12.416 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.759 -13.918 8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.143 -14.734 9.845 1.00 0.00 H new ATOM 298 N GLU A 27 11.501 -11.530 10.100 1.00 0.00 N ATOM 299 CA GLU A 27 10.631 -10.549 10.816 1.00 0.00 C ATOM 300 C GLU A 27 9.393 -10.223 9.973 1.00 0.00 C ATOM 301 O GLU A 27 9.484 -10.002 8.780 1.00 0.00 O ATOM 302 CB GLU A 27 11.493 -9.299 11.002 1.00 0.00 C ATOM 303 CG GLU A 27 12.063 -9.268 12.422 1.00 0.00 C ATOM 304 CD GLU A 27 11.552 -8.023 13.151 1.00 0.00 C ATOM 305 OE1 GLU A 27 10.445 -8.071 13.663 1.00 0.00 O ATOM 306 OE2 GLU A 27 12.276 -7.040 13.183 1.00 0.00 O ATOM 0 H GLU A 27 12.310 -11.127 9.627 1.00 0.00 H new ATOM 0 HA GLU A 27 10.276 -10.941 11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.305 -9.294 10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.897 -8.405 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.767 -10.166 12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.152 -9.261 12.388 1.00 0.00 H new ATOM 313 N LYS A 28 8.241 -10.188 10.591 1.00 0.00 N ATOM 314 CA LYS A 28 6.989 -9.871 9.842 1.00 0.00 C ATOM 315 C LYS A 28 6.421 -8.534 10.336 1.00 0.00 C ATOM 316 O LYS A 28 5.325 -8.467 10.863 1.00 0.00 O ATOM 317 CB LYS A 28 6.037 -11.026 10.162 1.00 0.00 C ATOM 318 CG LYS A 28 6.318 -12.198 9.217 1.00 0.00 C ATOM 319 CD LYS A 28 5.488 -13.412 9.643 1.00 0.00 C ATOM 320 CE LYS A 28 6.227 -14.184 10.741 1.00 0.00 C ATOM 321 NZ LYS A 28 5.372 -14.053 11.957 1.00 0.00 N ATOM 0 H LYS A 28 8.113 -10.366 11.587 1.00 0.00 H new ATOM 0 HA LYS A 28 7.149 -9.772 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.166 -11.341 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.003 -10.699 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.073 -11.919 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.379 -12.446 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.513 -13.088 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.309 -14.061 8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.361 -15.230 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.221 -13.770 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.817 -14.558 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.268 -13.048 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.435 -14.462 11.768 1.00 0.00 H new ATOM 335 N ARG A 29 7.168 -7.471 10.173 1.00 0.00 N ATOM 336 CA ARG A 29 6.691 -6.133 10.633 1.00 0.00 C ATOM 337 C ARG A 29 6.357 -5.247 9.427 1.00 0.00 C ATOM 338 O ARG A 29 6.043 -5.735 8.357 1.00 0.00 O ATOM 339 CB ARG A 29 7.864 -5.553 11.432 1.00 0.00 C ATOM 340 CG ARG A 29 7.338 -4.874 12.699 1.00 0.00 C ATOM 341 CD ARG A 29 8.508 -4.574 13.641 1.00 0.00 C ATOM 342 NE ARG A 29 8.039 -3.443 14.489 1.00 0.00 N ATOM 343 CZ ARG A 29 8.509 -2.239 14.296 1.00 0.00 C ATOM 344 NH1 ARG A 29 9.518 -1.810 15.009 1.00 0.00 N ATOM 345 NH2 ARG A 29 7.972 -1.463 13.389 1.00 0.00 N ATOM 0 H ARG A 29 8.091 -7.473 9.739 1.00 0.00 H new ATOM 0 HA ARG A 29 5.783 -6.196 11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.564 -6.346 11.696 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.412 -4.834 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.819 -3.951 12.441 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.613 -5.519 13.196 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.760 -5.444 14.247 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.405 -4.304 13.083 1.00 0.00 H new ATOM 0 HE ARG A 29 7.349 -3.609 15.222 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.937 -2.415 15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.886 -0.870 14.859 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.186 -1.798 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.340 -0.523 13.239 1.00 0.00 H new ATOM 359 N LEU A 30 6.417 -3.950 9.595 1.00 0.00 N ATOM 360 CA LEU A 30 6.098 -3.032 8.466 1.00 0.00 C ATOM 361 C LEU A 30 7.328 -2.182 8.093 1.00 0.00 C ATOM 362 O LEU A 30 8.218 -1.969 8.896 1.00 0.00 O ATOM 363 CB LEU A 30 4.928 -2.170 8.987 1.00 0.00 C ATOM 364 CG LEU A 30 5.431 -0.839 9.559 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.996 0.310 8.645 1.00 0.00 C ATOM 366 CD2 LEU A 30 4.840 -0.630 10.955 1.00 0.00 C ATOM 0 H LEU A 30 6.674 -3.489 10.468 1.00 0.00 H new ATOM 0 HA LEU A 30 5.826 -3.561 7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.225 -1.978 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.384 -2.717 9.757 1.00 0.00 H new ATOM 0 HG LEU A 30 6.519 -0.860 9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.354 1.255 9.053 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.415 0.162 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.908 0.332 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.197 0.316 11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.752 -0.610 10.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.150 -1.446 11.607 1.00 0.00 H new ATOM 378 N ILE A 31 7.371 -1.699 6.876 1.00 0.00 N ATOM 379 CA ILE A 31 8.524 -0.855 6.421 1.00 0.00 C ATOM 380 C ILE A 31 7.985 0.453 5.823 1.00 0.00 C ATOM 381 O ILE A 31 7.315 0.449 4.814 1.00 0.00 O ATOM 382 CB ILE A 31 9.243 -1.694 5.354 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.875 -2.924 6.014 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.340 -0.857 4.685 1.00 0.00 C ATOM 385 CD1 ILE A 31 9.425 -4.189 5.279 1.00 0.00 C ATOM 0 H ILE A 31 6.651 -1.854 6.170 1.00 0.00 H new ATOM 0 HA ILE A 31 9.201 -0.588 7.232 1.00 0.00 H new ATOM 0 HB ILE A 31 8.522 -2.010 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.962 -2.844 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.583 -2.977 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.846 -1.458 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.893 0.018 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.062 -0.536 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.875 -5.063 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.339 -4.271 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.740 -4.136 4.237 1.00 0.00 H new ATOM 397 N LYS A 32 8.265 1.567 6.448 1.00 0.00 N ATOM 398 CA LYS A 32 7.750 2.875 5.923 1.00 0.00 C ATOM 399 C LYS A 32 8.890 3.736 5.364 1.00 0.00 C ATOM 400 O LYS A 32 10.028 3.621 5.778 1.00 0.00 O ATOM 401 CB LYS A 32 7.089 3.565 7.128 1.00 0.00 C ATOM 402 CG LYS A 32 8.077 3.670 8.297 1.00 0.00 C ATOM 403 CD LYS A 32 7.711 2.641 9.372 1.00 0.00 C ATOM 404 CE LYS A 32 8.981 2.168 10.087 1.00 0.00 C ATOM 405 NZ LYS A 32 8.843 0.687 10.191 1.00 0.00 N ATOM 0 H LYS A 32 8.826 1.632 7.297 1.00 0.00 H new ATOM 0 HA LYS A 32 7.049 2.727 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.748 4.560 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.208 3.003 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.094 3.497 7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.053 4.675 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.020 3.082 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.200 1.792 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.874 2.442 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.072 2.625 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.732 0.280 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.070 0.456 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.631 0.291 9.253 1.00 0.00 H new ATOM 419 N THR A 33 8.586 4.603 4.423 1.00 0.00 N ATOM 420 CA THR A 33 9.654 5.478 3.836 1.00 0.00 C ATOM 421 C THR A 33 9.101 6.871 3.494 1.00 0.00 C ATOM 422 O THR A 33 7.978 7.195 3.821 1.00 0.00 O ATOM 423 CB THR A 33 10.119 4.756 2.572 1.00 0.00 C ATOM 424 OG1 THR A 33 11.258 5.427 2.048 1.00 0.00 O ATOM 425 CG2 THR A 33 8.998 4.750 1.526 1.00 0.00 C ATOM 0 H THR A 33 7.651 4.742 4.039 1.00 0.00 H new ATOM 0 HA THR A 33 10.472 5.637 4.538 1.00 0.00 H new ATOM 0 HB THR A 33 10.376 3.725 2.817 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.976 5.423 2.715 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.340 4.233 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.126 4.237 1.930 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.730 5.776 1.274 1.00 0.00 H new ATOM 433 N TRP A 34 9.891 7.705 2.848 1.00 0.00 N ATOM 434 CA TRP A 34 9.411 9.084 2.504 1.00 0.00 C ATOM 435 C TRP A 34 9.861 9.506 1.095 1.00 0.00 C ATOM 436 O TRP A 34 10.222 10.649 0.877 1.00 0.00 O ATOM 437 CB TRP A 34 10.055 10.006 3.543 1.00 0.00 C ATOM 438 CG TRP A 34 9.687 9.568 4.923 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.615 10.004 5.615 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.373 8.616 5.781 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.609 9.393 6.858 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.672 8.523 7.005 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.528 7.833 5.615 1.00 0.00 C ATOM 444 CZ2 TRP A 34 10.104 7.684 8.032 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.966 6.985 6.645 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.254 6.911 7.852 1.00 0.00 C ATOM 0 H TRP A 34 10.841 7.490 2.547 1.00 0.00 H new ATOM 0 HA TRP A 34 8.322 9.129 2.513 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.139 9.995 3.427 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.728 11.033 3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.882 10.713 5.259 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.906 9.564 7.577 1.00 0.00 H new ATOM 0 HE3 TRP A 34 12.082 7.884 4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.554 7.632 8.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.855 6.387 6.508 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.595 6.257 8.641 1.00 0.00 H new ATOM 457 N SER A 35 9.844 8.613 0.133 1.00 0.00 N ATOM 458 CA SER A 35 10.276 9.008 -1.247 1.00 0.00 C ATOM 459 C SER A 35 9.154 9.791 -1.958 1.00 0.00 C ATOM 460 O SER A 35 8.989 10.975 -1.730 1.00 0.00 O ATOM 461 CB SER A 35 10.600 7.695 -1.968 1.00 0.00 C ATOM 462 OG SER A 35 11.995 7.441 -1.866 1.00 0.00 O ATOM 0 H SER A 35 9.554 7.641 0.240 1.00 0.00 H new ATOM 0 HA SER A 35 11.143 9.668 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.035 6.874 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.305 7.758 -3.015 1.00 0.00 H new ATOM 0 HG SER A 35 12.139 6.578 -1.424 1.00 0.00 H new ATOM 468 N ARG A 36 8.382 9.152 -2.813 1.00 0.00 N ATOM 469 CA ARG A 36 7.279 9.869 -3.532 1.00 0.00 C ATOM 470 C ARG A 36 6.412 8.856 -4.289 1.00 0.00 C ATOM 471 O ARG A 36 5.240 8.695 -4.005 1.00 0.00 O ATOM 472 CB ARG A 36 7.977 10.821 -4.511 1.00 0.00 C ATOM 473 CG ARG A 36 7.206 12.144 -4.581 1.00 0.00 C ATOM 474 CD ARG A 36 7.947 13.216 -3.775 1.00 0.00 C ATOM 475 NE ARG A 36 7.295 13.212 -2.434 1.00 0.00 N ATOM 476 CZ ARG A 36 6.668 14.276 -2.007 1.00 0.00 C ATOM 477 NH1 ARG A 36 7.155 14.960 -1.004 1.00 0.00 N ATOM 478 NH2 ARG A 36 5.555 14.655 -2.581 1.00 0.00 N ATOM 0 H ARG A 36 8.471 8.162 -3.042 1.00 0.00 H new ATOM 0 HA ARG A 36 6.625 10.411 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.002 11.003 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.030 10.367 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.103 12.462 -5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.199 12.010 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.010 12.987 -3.698 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.865 14.194 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 36 7.338 12.377 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.022 14.662 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.667 15.791 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.176 14.120 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.066 15.486 -2.247 1.00 0.00 H new ATOM 492 N ARG A 37 6.991 8.157 -5.237 1.00 0.00 N ATOM 493 CA ARG A 37 6.219 7.131 -6.004 1.00 0.00 C ATOM 494 C ARG A 37 6.648 5.727 -5.546 1.00 0.00 C ATOM 495 O ARG A 37 6.767 4.808 -6.336 1.00 0.00 O ATOM 496 CB ARG A 37 6.567 7.373 -7.482 1.00 0.00 C ATOM 497 CG ARG A 37 8.042 7.047 -7.741 1.00 0.00 C ATOM 498 CD ARG A 37 8.565 7.908 -8.893 1.00 0.00 C ATOM 499 NE ARG A 37 8.437 7.052 -10.107 1.00 0.00 N ATOM 500 CZ ARG A 37 7.303 6.996 -10.755 1.00 0.00 C ATOM 501 NH1 ARG A 37 6.444 6.046 -10.488 1.00 0.00 N ATOM 502 NH2 ARG A 37 7.028 7.889 -11.670 1.00 0.00 N ATOM 0 H ARG A 37 7.968 8.254 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 37 5.143 7.204 -5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.934 6.754 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.365 8.411 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.629 7.231 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.154 5.990 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.985 8.825 -8.994 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.601 8.203 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 37 9.236 6.509 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.659 5.350 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.559 6.002 -10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.698 8.629 -11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.143 7.845 -12.176 1.00 0.00 H new ATOM 516 N SER A 38 6.885 5.580 -4.261 1.00 0.00 N ATOM 517 CA SER A 38 7.317 4.271 -3.676 1.00 0.00 C ATOM 518 C SER A 38 6.539 3.092 -4.288 1.00 0.00 C ATOM 519 O SER A 38 5.339 2.971 -4.122 1.00 0.00 O ATOM 520 CB SER A 38 7.004 4.417 -2.182 1.00 0.00 C ATOM 521 OG SER A 38 8.159 4.891 -1.502 1.00 0.00 O ATOM 0 H SER A 38 6.794 6.333 -3.579 1.00 0.00 H new ATOM 0 HA SER A 38 8.368 4.057 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.174 5.109 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.693 3.457 -1.769 1.00 0.00 H new ATOM 0 HG SER A 38 7.894 5.549 -0.826 1.00 0.00 H new ATOM 527 N THR A 39 7.226 2.224 -4.997 1.00 0.00 N ATOM 528 CA THR A 39 6.554 1.044 -5.633 1.00 0.00 C ATOM 529 C THR A 39 6.909 -0.246 -4.879 1.00 0.00 C ATOM 530 O THR A 39 7.863 -0.294 -4.124 1.00 0.00 O ATOM 531 CB THR A 39 7.097 1.000 -7.068 1.00 0.00 C ATOM 532 OG1 THR A 39 6.606 2.122 -7.791 1.00 0.00 O ATOM 533 CG2 THR A 39 6.645 -0.290 -7.760 1.00 0.00 C ATOM 0 H THR A 39 8.231 2.284 -5.163 1.00 0.00 H new ATOM 0 HA THR A 39 5.468 1.130 -5.612 1.00 0.00 H new ATOM 0 HB THR A 39 8.186 1.027 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.286 2.828 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.035 -0.313 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.022 -1.151 -7.208 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.556 -0.326 -7.788 1.00 0.00 H new ATOM 541 N ILE A 40 6.136 -1.288 -5.073 1.00 0.00 N ATOM 542 CA ILE A 40 6.411 -2.583 -4.359 1.00 0.00 C ATOM 543 C ILE A 40 7.468 -3.432 -5.094 1.00 0.00 C ATOM 544 O ILE A 40 7.808 -3.182 -6.234 1.00 0.00 O ATOM 545 CB ILE A 40 5.076 -3.342 -4.346 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.913 -2.387 -4.071 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.106 -4.415 -3.261 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.065 -2.274 -5.334 1.00 0.00 C ATOM 0 H ILE A 40 5.327 -1.301 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 40 6.800 -2.388 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 40 4.933 -3.802 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.309 -2.756 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.290 -1.407 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.157 -4.952 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.917 -5.114 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.265 -3.946 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.231 -1.596 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.676 -1.888 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.681 -3.258 -5.603 1.00 0.00 H new ATOM 560 N VAL A 41 7.954 -4.460 -4.432 1.00 0.00 N ATOM 561 CA VAL A 41 8.961 -5.392 -5.041 1.00 0.00 C ATOM 562 C VAL A 41 8.627 -6.822 -4.625 1.00 0.00 C ATOM 563 O VAL A 41 7.737 -7.045 -3.824 1.00 0.00 O ATOM 564 CB VAL A 41 10.356 -5.006 -4.502 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.128 -4.247 -5.582 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.247 -4.129 -3.250 1.00 0.00 C ATOM 0 H VAL A 41 7.689 -4.696 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 41 8.947 -5.322 -6.129 1.00 0.00 H new ATOM 0 HB VAL A 41 10.882 -5.923 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.113 -3.974 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.241 -4.881 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.581 -3.344 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.246 -3.875 -2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.704 -3.215 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.713 -4.672 -2.470 1.00 0.00 H new ATOM 576 N PRO A 42 9.352 -7.750 -5.184 1.00 0.00 N ATOM 577 CA PRO A 42 9.127 -9.181 -4.868 1.00 0.00 C ATOM 578 C PRO A 42 9.476 -9.477 -3.408 1.00 0.00 C ATOM 579 O PRO A 42 8.886 -10.336 -2.786 1.00 0.00 O ATOM 580 CB PRO A 42 10.064 -9.899 -5.828 1.00 0.00 C ATOM 581 CG PRO A 42 11.125 -8.904 -6.151 1.00 0.00 C ATOM 582 CD PRO A 42 10.446 -7.568 -6.149 1.00 0.00 C ATOM 0 HA PRO A 42 8.089 -9.494 -4.983 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.488 -10.793 -5.371 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.538 -10.220 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.928 -8.936 -5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.574 -9.113 -7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.125 -6.772 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.071 -7.305 -7.138 1.00 0.00 H new ATOM 590 N GLU A 43 10.418 -8.758 -2.857 1.00 0.00 N ATOM 591 CA GLU A 43 10.802 -8.973 -1.430 1.00 0.00 C ATOM 592 C GLU A 43 9.724 -8.418 -0.480 1.00 0.00 C ATOM 593 O GLU A 43 9.818 -8.578 0.722 1.00 0.00 O ATOM 594 CB GLU A 43 12.116 -8.207 -1.244 1.00 0.00 C ATOM 595 CG GLU A 43 13.302 -9.146 -1.480 1.00 0.00 C ATOM 596 CD GLU A 43 13.469 -10.081 -0.278 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.169 -9.705 0.647 1.00 0.00 O ATOM 598 OE2 GLU A 43 12.896 -11.159 -0.305 1.00 0.00 O ATOM 0 H GLU A 43 10.942 -8.026 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 43 10.907 -10.033 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.160 -7.369 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.165 -7.790 -0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.141 -9.729 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.213 -8.566 -1.631 1.00 0.00 H new ATOM 605 N MET A 44 8.702 -7.771 -1.003 1.00 0.00 N ATOM 606 CA MET A 44 7.629 -7.218 -0.115 1.00 0.00 C ATOM 607 C MET A 44 6.424 -8.176 -0.041 1.00 0.00 C ATOM 608 O MET A 44 5.433 -7.880 0.591 1.00 0.00 O ATOM 609 CB MET A 44 7.220 -5.889 -0.765 1.00 0.00 C ATOM 610 CG MET A 44 8.241 -4.805 -0.401 1.00 0.00 C ATOM 611 SD MET A 44 8.044 -3.379 -1.503 1.00 0.00 S ATOM 612 CE MET A 44 6.757 -2.512 -0.578 1.00 0.00 C ATOM 0 H MET A 44 8.568 -7.605 -2.000 1.00 0.00 H new ATOM 0 HA MET A 44 7.980 -7.086 0.908 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.166 -6.003 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.227 -5.596 -0.425 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.104 -4.497 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.252 -5.203 -0.484 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.874 -1.437 -0.712 1.00 0.00 H new ATOM 0 HE2 MET A 44 5.777 -2.819 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 44 6.842 -2.757 0.481 1.00 0.00 H new ATOM 622 N VAL A 45 6.508 -9.319 -0.688 1.00 0.00 N ATOM 623 CA VAL A 45 5.375 -10.312 -0.684 1.00 0.00 C ATOM 624 C VAL A 45 4.995 -10.820 0.732 1.00 0.00 C ATOM 625 O VAL A 45 4.127 -11.663 0.867 1.00 0.00 O ATOM 626 CB VAL A 45 5.886 -11.472 -1.559 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.209 -12.013 -0.998 1.00 0.00 C ATOM 628 CG2 VAL A 45 4.853 -12.603 -1.586 1.00 0.00 C ATOM 0 H VAL A 45 7.324 -9.611 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 45 4.460 -9.852 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 45 6.046 -11.099 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.562 -12.833 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.953 -11.217 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.053 -12.374 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.223 -13.419 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.685 -12.966 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.915 -12.230 -1.998 1.00 0.00 H new ATOM 638 N GLY A 46 5.601 -10.324 1.782 1.00 0.00 N ATOM 639 CA GLY A 46 5.226 -10.799 3.147 1.00 0.00 C ATOM 640 C GLY A 46 5.440 -9.682 4.171 1.00 0.00 C ATOM 641 O GLY A 46 5.799 -9.941 5.305 1.00 0.00 O ATOM 0 H GLY A 46 6.334 -9.615 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.183 -11.116 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.826 -11.669 3.415 1.00 0.00 H new ATOM 645 N HIS A 47 5.235 -8.439 3.787 1.00 0.00 N ATOM 646 CA HIS A 47 5.446 -7.316 4.758 1.00 0.00 C ATOM 647 C HIS A 47 4.444 -6.183 4.515 1.00 0.00 C ATOM 648 O HIS A 47 3.938 -6.010 3.423 1.00 0.00 O ATOM 649 CB HIS A 47 6.877 -6.809 4.511 1.00 0.00 C ATOM 650 CG HIS A 47 7.840 -7.965 4.426 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.500 -8.466 5.536 1.00 0.00 N ATOM 652 CD2 HIS A 47 8.253 -8.731 3.366 1.00 0.00 C ATOM 653 CE1 HIS A 47 9.268 -9.491 5.121 1.00 0.00 C ATOM 654 NE2 HIS A 47 9.154 -9.693 3.806 1.00 0.00 N ATOM 0 H HIS A 47 4.934 -8.158 2.854 1.00 0.00 H new ATOM 0 HA HIS A 47 5.302 -7.656 5.784 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.910 -6.232 3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.175 -6.138 5.317 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.419 -8.121 6.493 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.927 -8.606 2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.899 -10.078 5.772 1.00 0.00 H new ATOM 662 N THR A 48 4.189 -5.394 5.529 1.00 0.00 N ATOM 663 CA THR A 48 3.258 -4.242 5.399 1.00 0.00 C ATOM 664 C THR A 48 4.118 -2.994 5.219 1.00 0.00 C ATOM 665 O THR A 48 4.480 -2.334 6.170 1.00 0.00 O ATOM 666 CB THR A 48 2.469 -4.177 6.725 1.00 0.00 C ATOM 667 OG1 THR A 48 2.749 -5.320 7.528 1.00 0.00 O ATOM 668 CG2 THR A 48 0.970 -4.127 6.430 1.00 0.00 C ATOM 0 H THR A 48 4.597 -5.506 6.457 1.00 0.00 H new ATOM 0 HA THR A 48 2.569 -4.328 4.559 1.00 0.00 H new ATOM 0 HB THR A 48 2.771 -3.279 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.396 -6.122 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.416 -4.081 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.746 -3.243 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.678 -5.021 5.879 1.00 0.00 H new ATOM 676 N ILE A 49 4.493 -2.696 4.012 1.00 0.00 N ATOM 677 CA ILE A 49 5.387 -1.523 3.791 1.00 0.00 C ATOM 678 C ILE A 49 4.589 -0.255 3.517 1.00 0.00 C ATOM 679 O ILE A 49 3.875 -0.162 2.536 1.00 0.00 O ATOM 680 CB ILE A 49 6.249 -1.915 2.589 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.113 -3.123 2.973 1.00 0.00 C ATOM 682 CG2 ILE A 49 7.158 -0.746 2.190 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.573 -4.383 2.298 1.00 0.00 C ATOM 0 H ILE A 49 4.224 -3.207 3.171 1.00 0.00 H new ATOM 0 HA ILE A 49 5.990 -1.297 4.671 1.00 0.00 H new ATOM 0 HB ILE A 49 5.605 -2.166 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.147 -2.953 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.114 -3.251 4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.767 -1.035 1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.546 0.117 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.807 -0.488 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.191 -5.237 2.575 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.547 -4.558 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.596 -4.254 1.216 1.00 0.00 H new ATOM 695 N ALA A 50 4.719 0.734 4.374 1.00 0.00 N ATOM 696 CA ALA A 50 3.981 2.001 4.145 1.00 0.00 C ATOM 697 C ALA A 50 4.712 2.826 3.103 1.00 0.00 C ATOM 698 O ALA A 50 5.574 3.643 3.405 1.00 0.00 O ATOM 699 CB ALA A 50 3.902 2.733 5.485 1.00 0.00 C ATOM 0 H ALA A 50 5.301 0.711 5.212 1.00 0.00 H new ATOM 0 HA ALA A 50 2.974 1.818 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.364 3.672 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.376 2.111 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.909 2.939 5.847 1.00 0.00 H new ATOM 705 N VAL A 51 4.366 2.598 1.869 1.00 0.00 N ATOM 706 CA VAL A 51 5.012 3.344 0.754 1.00 0.00 C ATOM 707 C VAL A 51 4.625 4.819 0.848 1.00 0.00 C ATOM 708 O VAL A 51 3.456 5.156 0.927 1.00 0.00 O ATOM 709 CB VAL A 51 4.472 2.719 -0.544 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.793 1.221 -0.577 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.952 2.916 -0.638 1.00 0.00 C ATOM 0 H VAL A 51 3.658 1.922 1.582 1.00 0.00 H new ATOM 0 HA VAL A 51 6.100 3.283 0.789 1.00 0.00 H new ATOM 0 HB VAL A 51 4.950 3.212 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.407 0.786 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.873 1.079 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.328 0.730 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.584 2.469 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.470 2.438 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.722 3.982 -0.634 1.00 0.00 H new ATOM 721 N TYR A 52 5.584 5.702 0.844 1.00 0.00 N ATOM 722 CA TYR A 52 5.240 7.146 0.929 1.00 0.00 C ATOM 723 C TYR A 52 4.580 7.576 -0.381 1.00 0.00 C ATOM 724 O TYR A 52 5.226 7.680 -1.407 1.00 0.00 O ATOM 725 CB TYR A 52 6.563 7.889 1.155 1.00 0.00 C ATOM 726 CG TYR A 52 6.280 9.311 1.578 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.559 9.563 2.753 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.747 10.379 0.802 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.304 10.880 3.149 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.494 11.695 1.199 1.00 0.00 C ATOM 731 CZ TYR A 52 5.772 11.947 2.373 1.00 0.00 C ATOM 732 OH TYR A 52 5.522 13.246 2.764 1.00 0.00 O ATOM 0 H TYR A 52 6.580 5.489 0.786 1.00 0.00 H new ATOM 0 HA TYR A 52 4.542 7.363 1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.151 7.382 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.156 7.882 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.200 8.740 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.303 10.186 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.746 11.074 4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.855 12.518 0.600 1.00 0.00 H new ATOM 0 HH TYR A 52 5.304 13.788 1.977 1.00 0.00 H new ATOM 742 N ASN A 53 3.293 7.828 -0.349 1.00 0.00 N ATOM 743 CA ASN A 53 2.569 8.261 -1.589 1.00 0.00 C ATOM 744 C ASN A 53 2.882 9.741 -1.904 1.00 0.00 C ATOM 745 O ASN A 53 2.184 10.387 -2.661 1.00 0.00 O ATOM 746 CB ASN A 53 1.085 8.063 -1.232 1.00 0.00 C ATOM 747 CG ASN A 53 0.180 8.653 -2.319 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.055 8.029 -3.335 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.339 9.840 -2.144 1.00 0.00 N ATOM 0 H ASN A 53 2.710 7.752 0.485 1.00 0.00 H new ATOM 0 HA ASN A 53 2.859 7.699 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.873 7.000 -1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.870 8.539 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.942 10.244 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.141 10.363 -1.291 1.00 0.00 H new ATOM 756 N GLY A 54 3.920 10.287 -1.317 1.00 0.00 N ATOM 757 CA GLY A 54 4.257 11.715 -1.563 1.00 0.00 C ATOM 758 C GLY A 54 3.849 12.525 -0.330 1.00 0.00 C ATOM 759 O GLY A 54 4.433 13.547 -0.024 1.00 0.00 O ATOM 0 H GLY A 54 4.547 9.799 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.324 11.826 -1.754 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.736 12.081 -2.447 1.00 0.00 H new ATOM 763 N LYS A 55 2.842 12.069 0.382 1.00 0.00 N ATOM 764 CA LYS A 55 2.380 12.795 1.600 1.00 0.00 C ATOM 765 C LYS A 55 2.005 11.813 2.722 1.00 0.00 C ATOM 766 O LYS A 55 2.029 12.163 3.886 1.00 0.00 O ATOM 767 CB LYS A 55 1.136 13.586 1.167 1.00 0.00 C ATOM 768 CG LYS A 55 0.329 12.801 0.123 1.00 0.00 C ATOM 769 CD LYS A 55 -1.136 13.244 0.164 1.00 0.00 C ATOM 770 CE LYS A 55 -1.872 12.494 1.281 1.00 0.00 C ATOM 771 NZ LYS A 55 -2.254 11.180 0.689 1.00 0.00 N ATOM 0 H LYS A 55 2.321 11.219 0.166 1.00 0.00 H new ATOM 0 HA LYS A 55 3.167 13.441 1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.511 13.794 2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.437 14.548 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.742 12.969 -0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.401 11.732 0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.196 14.319 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.613 13.046 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.232 12.361 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.751 13.046 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.791 10.628 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.842 11.337 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.396 10.657 0.421 1.00 0.00 H new ATOM 785 N GLN A 56 1.610 10.608 2.381 1.00 0.00 N ATOM 786 CA GLN A 56 1.180 9.634 3.427 1.00 0.00 C ATOM 787 C GLN A 56 1.893 8.280 3.335 1.00 0.00 C ATOM 788 O GLN A 56 2.353 7.867 2.288 1.00 0.00 O ATOM 789 CB GLN A 56 -0.305 9.446 3.138 1.00 0.00 C ATOM 790 CG GLN A 56 -1.104 10.426 3.987 1.00 0.00 C ATOM 791 CD GLN A 56 -1.006 10.037 5.474 1.00 0.00 C ATOM 792 OE1 GLN A 56 -1.282 10.846 6.338 1.00 0.00 O ATOM 793 NE2 GLN A 56 -0.621 8.828 5.816 1.00 0.00 N ATOM 0 H GLN A 56 1.568 10.260 1.423 1.00 0.00 H new ATOM 0 HA GLN A 56 1.412 10.006 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.507 9.613 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.605 8.422 3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.726 11.438 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.147 10.427 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.388 8.144 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.555 8.573 6.802 1.00 0.00 H new ATOM 802 N HIS A 57 1.938 7.577 4.443 1.00 0.00 N ATOM 803 CA HIS A 57 2.554 6.233 4.493 1.00 0.00 C ATOM 804 C HIS A 57 1.447 5.191 4.318 1.00 0.00 C ATOM 805 O HIS A 57 0.521 5.135 5.106 1.00 0.00 O ATOM 806 CB HIS A 57 3.131 6.137 5.906 1.00 0.00 C ATOM 807 CG HIS A 57 4.340 7.014 6.034 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.623 6.529 5.861 1.00 0.00 N ATOM 809 CD2 HIS A 57 4.478 8.343 6.346 1.00 0.00 C ATOM 810 CE1 HIS A 57 6.471 7.548 6.072 1.00 0.00 C ATOM 811 NE2 HIS A 57 5.826 8.678 6.370 1.00 0.00 N ATOM 0 H HIS A 57 1.559 7.898 5.334 1.00 0.00 H new ATOM 0 HA HIS A 57 3.309 6.070 3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.378 6.436 6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.398 5.104 6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.663 9.024 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.546 7.464 6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.235 9.591 6.572 1.00 0.00 H new ATOM 819 N VAL A 58 1.521 4.374 3.305 1.00 0.00 N ATOM 820 CA VAL A 58 0.458 3.344 3.106 1.00 0.00 C ATOM 821 C VAL A 58 1.037 1.958 3.407 1.00 0.00 C ATOM 822 O VAL A 58 1.501 1.281 2.510 1.00 0.00 O ATOM 823 CB VAL A 58 0.042 3.464 1.631 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.212 2.621 1.382 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.262 4.927 1.290 1.00 0.00 C ATOM 0 H VAL A 58 2.266 4.373 2.609 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.399 3.487 3.765 1.00 0.00 H new ATOM 0 HB VAL A 58 0.858 3.108 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.506 2.707 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.001 1.577 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.023 2.978 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.556 5.003 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.074 5.287 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.627 5.533 1.462 1.00 0.00 H new ATOM 835 N PRO A 59 1.020 1.587 4.678 1.00 0.00 N ATOM 836 CA PRO A 59 1.574 0.271 5.107 1.00 0.00 C ATOM 837 C PRO A 59 0.704 -0.844 4.555 1.00 0.00 C ATOM 838 O PRO A 59 -0.214 -1.326 5.194 1.00 0.00 O ATOM 839 CB PRO A 59 1.524 0.332 6.632 1.00 0.00 C ATOM 840 CG PRO A 59 0.454 1.330 6.934 1.00 0.00 C ATOM 841 CD PRO A 59 0.481 2.340 5.818 1.00 0.00 C ATOM 0 HA PRO A 59 2.585 0.076 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.290 -0.643 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.483 0.641 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.521 0.846 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.633 1.811 7.896 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.515 2.729 5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.110 3.194 6.067 1.00 0.00 H new ATOM 849 N VAL A 60 0.986 -1.232 3.350 1.00 0.00 N ATOM 850 CA VAL A 60 0.183 -2.299 2.697 1.00 0.00 C ATOM 851 C VAL A 60 0.893 -3.640 2.784 1.00 0.00 C ATOM 852 O VAL A 60 2.004 -3.792 2.308 1.00 0.00 O ATOM 853 CB VAL A 60 0.066 -1.883 1.226 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.800 -2.900 0.488 1.00 0.00 C ATOM 855 CG2 VAL A 60 -0.572 -0.495 1.129 1.00 0.00 C ATOM 0 H VAL A 60 1.744 -0.854 2.782 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.788 -2.410 3.180 1.00 0.00 H new ATOM 0 HB VAL A 60 1.058 -1.849 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.888 -2.611 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.340 -3.886 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.791 -2.930 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.653 -0.204 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.566 -0.519 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.047 0.228 1.660 1.00 0.00 H new ATOM 865 N TYR A 61 0.251 -4.629 3.351 1.00 0.00 N ATOM 866 CA TYR A 61 0.891 -5.964 3.399 1.00 0.00 C ATOM 867 C TYR A 61 0.856 -6.535 1.988 1.00 0.00 C ATOM 868 O TYR A 61 -0.171 -6.980 1.508 1.00 0.00 O ATOM 869 CB TYR A 61 0.074 -6.831 4.350 1.00 0.00 C ATOM 870 CG TYR A 61 0.895 -8.053 4.674 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.218 -8.968 3.661 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.354 -8.259 5.975 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.994 -10.086 3.952 1.00 0.00 C ATOM 874 CE2 TYR A 61 2.132 -9.380 6.270 1.00 0.00 C ATOM 875 CZ TYR A 61 2.454 -10.297 5.259 1.00 0.00 C ATOM 876 OH TYR A 61 3.223 -11.405 5.551 1.00 0.00 O ATOM 0 H TYR A 61 -0.675 -4.566 3.775 1.00 0.00 H new ATOM 0 HA TYR A 61 1.923 -5.920 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.167 -6.280 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.872 -7.117 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.864 -8.805 2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.108 -7.552 6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.241 -10.790 3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.486 -9.541 7.277 1.00 0.00 H new ATOM 0 HH TYR A 61 3.459 -11.398 6.502 1.00 0.00 H new ATOM 886 N ILE A 62 1.960 -6.484 1.310 1.00 0.00 N ATOM 887 CA ILE A 62 1.997 -6.976 -0.091 1.00 0.00 C ATOM 888 C ILE A 62 2.133 -8.492 -0.154 1.00 0.00 C ATOM 889 O ILE A 62 2.872 -9.100 0.592 1.00 0.00 O ATOM 890 CB ILE A 62 3.225 -6.311 -0.714 1.00 0.00 C ATOM 891 CG1 ILE A 62 3.087 -4.786 -0.624 1.00 0.00 C ATOM 892 CG2 ILE A 62 3.355 -6.737 -2.181 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.096 -4.247 0.392 1.00 0.00 C ATOM 0 H ILE A 62 2.844 -6.121 1.666 1.00 0.00 H new ATOM 0 HA ILE A 62 1.074 -6.732 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 62 4.118 -6.622 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.261 -4.335 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.074 -4.518 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.231 -6.261 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.463 -7.820 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.463 -6.433 -2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.001 -3.163 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.901 -4.689 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.106 -4.504 0.073 1.00 0.00 H new ATOM 905 N THR A 63 1.437 -9.086 -1.081 1.00 0.00 N ATOM 906 CA THR A 63 1.517 -10.557 -1.283 1.00 0.00 C ATOM 907 C THR A 63 2.343 -10.807 -2.551 1.00 0.00 C ATOM 908 O THR A 63 3.100 -9.954 -2.977 1.00 0.00 O ATOM 909 CB THR A 63 0.066 -11.029 -1.463 1.00 0.00 C ATOM 910 OG1 THR A 63 -0.481 -10.459 -2.648 1.00 0.00 O ATOM 911 CG2 THR A 63 -0.772 -10.608 -0.253 1.00 0.00 C ATOM 0 H THR A 63 0.804 -8.604 -1.719 1.00 0.00 H new ATOM 0 HA THR A 63 1.988 -11.088 -0.456 1.00 0.00 H new ATOM 0 HB THR A 63 0.052 -12.116 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.752 -11.175 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.800 -10.946 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.358 -11.056 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.756 -9.522 -0.160 1.00 0.00 H new ATOM 919 N GLU A 64 2.212 -11.951 -3.168 1.00 0.00 N ATOM 920 CA GLU A 64 3.003 -12.207 -4.408 1.00 0.00 C ATOM 921 C GLU A 64 2.227 -11.765 -5.668 1.00 0.00 C ATOM 922 O GLU A 64 2.653 -12.030 -6.777 1.00 0.00 O ATOM 923 CB GLU A 64 3.242 -13.720 -4.425 1.00 0.00 C ATOM 924 CG GLU A 64 4.424 -14.046 -5.344 1.00 0.00 C ATOM 925 CD GLU A 64 5.742 -13.791 -4.607 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.205 -14.694 -3.929 1.00 0.00 O ATOM 927 OE2 GLU A 64 6.266 -12.694 -4.731 1.00 0.00 O ATOM 0 H GLU A 64 1.600 -12.711 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 64 3.936 -11.643 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.445 -14.077 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.346 -14.235 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.371 -15.087 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.376 -13.433 -6.244 1.00 0.00 H new ATOM 934 N ASN A 65 1.092 -11.108 -5.521 1.00 0.00 N ATOM 935 CA ASN A 65 0.315 -10.683 -6.737 1.00 0.00 C ATOM 936 C ASN A 65 -0.027 -9.178 -6.727 1.00 0.00 C ATOM 937 O ASN A 65 -0.348 -8.618 -7.760 1.00 0.00 O ATOM 938 CB ASN A 65 -0.965 -11.532 -6.728 1.00 0.00 C ATOM 939 CG ASN A 65 -1.697 -11.392 -5.387 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.491 -12.178 -4.486 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.556 -10.422 -5.222 1.00 0.00 N ATOM 0 H ASN A 65 0.677 -10.852 -4.625 1.00 0.00 H new ATOM 0 HA ASN A 65 0.907 -10.837 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.621 -11.219 -7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.715 -12.578 -6.904 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.053 -10.326 -4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.730 -9.761 -5.979 1.00 0.00 H new ATOM 948 N MET A 66 0.040 -8.511 -5.597 1.00 0.00 N ATOM 949 CA MET A 66 -0.280 -7.048 -5.570 1.00 0.00 C ATOM 950 C MET A 66 0.969 -6.219 -5.920 1.00 0.00 C ATOM 951 O MET A 66 0.873 -5.061 -6.273 1.00 0.00 O ATOM 952 CB MET A 66 -0.740 -6.769 -4.141 1.00 0.00 C ATOM 953 CG MET A 66 -2.044 -7.521 -3.862 1.00 0.00 C ATOM 954 SD MET A 66 -2.541 -7.257 -2.141 1.00 0.00 S ATOM 955 CE MET A 66 -4.327 -7.365 -2.402 1.00 0.00 C ATOM 0 H MET A 66 0.301 -8.915 -4.697 1.00 0.00 H new ATOM 0 HA MET A 66 -1.044 -6.778 -6.299 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.029 -7.080 -3.434 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.889 -5.699 -3.999 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.828 -7.173 -4.535 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.910 -8.586 -4.053 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.843 -7.228 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.640 -6.589 -3.100 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.576 -8.344 -2.812 1.00 0.00 H new ATOM 965 N VAL A 67 2.137 -6.807 -5.827 1.00 0.00 N ATOM 966 CA VAL A 67 3.394 -6.057 -6.153 1.00 0.00 C ATOM 967 C VAL A 67 3.519 -5.806 -7.665 1.00 0.00 C ATOM 968 O VAL A 67 2.879 -6.456 -8.469 1.00 0.00 O ATOM 969 CB VAL A 67 4.539 -6.965 -5.683 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.436 -8.333 -6.367 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.875 -6.323 -6.053 1.00 0.00 C ATOM 0 H VAL A 67 2.276 -7.776 -5.539 1.00 0.00 H new ATOM 0 HA VAL A 67 3.406 -5.080 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 67 4.472 -7.095 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.252 -8.971 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.483 -8.796 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.500 -8.205 -7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.691 -6.965 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.930 -6.195 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.958 -5.350 -5.568 1.00 0.00 H new ATOM 981 N GLY A 68 4.368 -4.879 -8.048 1.00 0.00 N ATOM 982 CA GLY A 68 4.574 -4.590 -9.497 1.00 0.00 C ATOM 983 C GLY A 68 4.091 -3.181 -9.844 1.00 0.00 C ATOM 984 O GLY A 68 4.428 -2.652 -10.887 1.00 0.00 O ATOM 0 H GLY A 68 4.927 -4.310 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.631 -4.688 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.036 -5.322 -10.099 1.00 0.00 H new ATOM 988 N HIS A 69 3.292 -2.570 -9.001 1.00 0.00 N ATOM 989 CA HIS A 69 2.786 -1.207 -9.321 1.00 0.00 C ATOM 990 C HIS A 69 3.211 -0.203 -8.243 1.00 0.00 C ATOM 991 O HIS A 69 4.173 0.517 -8.408 1.00 0.00 O ATOM 992 CB HIS A 69 1.262 -1.357 -9.366 1.00 0.00 C ATOM 993 CG HIS A 69 0.876 -2.242 -10.525 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.018 -1.819 -11.526 1.00 0.00 N ATOM 995 CD2 HIS A 69 1.228 -3.531 -10.855 1.00 0.00 C ATOM 996 CE1 HIS A 69 -0.118 -2.832 -12.402 1.00 0.00 C ATOM 997 NE2 HIS A 69 0.599 -3.900 -12.039 1.00 0.00 N ATOM 0 H HIS A 69 2.973 -2.957 -8.113 1.00 0.00 H new ATOM 0 HA HIS A 69 3.186 -0.827 -10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.901 -1.786 -8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.793 -0.379 -9.470 1.00 0.00 H new ATOM 0 HD2 HIS A 69 1.892 -4.160 -10.281 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.732 -2.787 -13.290 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.670 -4.794 -12.526 1.00 0.00 H new ATOM 1005 N LYS A 70 2.490 -0.148 -7.153 1.00 0.00 N ATOM 1006 CA LYS A 70 2.827 0.804 -6.039 1.00 0.00 C ATOM 1007 C LYS A 70 1.781 0.690 -4.927 1.00 0.00 C ATOM 1008 O LYS A 70 2.071 0.819 -3.753 1.00 0.00 O ATOM 1009 CB LYS A 70 2.817 2.219 -6.642 1.00 0.00 C ATOM 1010 CG LYS A 70 1.623 2.380 -7.585 1.00 0.00 C ATOM 1011 CD LYS A 70 0.450 3.020 -6.836 1.00 0.00 C ATOM 1012 CE LYS A 70 0.180 4.421 -7.396 1.00 0.00 C ATOM 1013 NZ LYS A 70 1.153 5.316 -6.703 1.00 0.00 N ATOM 0 H LYS A 70 1.669 -0.729 -6.980 1.00 0.00 H new ATOM 0 HA LYS A 70 3.801 0.578 -5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.764 2.962 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.745 2.398 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.903 2.999 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.327 1.408 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.440 2.400 -6.938 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.676 3.081 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.322 4.447 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.847 4.731 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.283 6.184 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.789 5.561 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.066 4.827 -6.605 1.00 0.00 H new ATOM 1027 N LEU A 71 0.567 0.448 -5.336 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.596 0.311 -4.394 1.00 0.00 C ATOM 1029 C LEU A 71 -1.923 0.116 -5.176 1.00 0.00 C ATOM 1030 O LEU A 71 -2.921 -0.282 -4.607 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.635 1.617 -3.569 1.00 0.00 C ATOM 1032 CG LEU A 71 -1.485 2.686 -4.272 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.925 2.624 -3.752 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.901 4.072 -3.982 1.00 0.00 C ATOM 0 H LEU A 71 0.318 0.334 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.482 -0.562 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.045 1.414 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.379 1.990 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.479 2.502 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.526 3.384 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.343 1.638 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.932 2.806 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.503 4.832 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.907 4.252 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.123 4.120 -4.352 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.942 0.396 -6.470 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.195 0.228 -7.273 1.00 0.00 C ATOM 1048 C GLY A 72 -3.538 -1.258 -7.430 1.00 0.00 C ATOM 1049 O GLY A 72 -4.658 -1.607 -7.754 1.00 0.00 O ATOM 0 H GLY A 72 -1.137 0.734 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.019 0.748 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.068 0.684 -8.255 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.598 -2.135 -7.175 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.884 -3.601 -7.279 1.00 0.00 C ATOM 1055 C GLU A 73 -3.517 -4.081 -5.973 1.00 0.00 C ATOM 1056 O GLU A 73 -4.114 -5.138 -5.905 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.529 -4.268 -7.483 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.129 -4.181 -8.953 1.00 0.00 C ATOM 1059 CD GLU A 73 -0.930 -5.591 -9.514 1.00 0.00 C ATOM 1060 OE1 GLU A 73 0.147 -6.133 -9.331 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -1.858 -6.103 -10.119 1.00 0.00 O ATOM 0 H GLU A 73 -1.645 -1.899 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.570 -3.835 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.776 -3.782 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.575 -5.311 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.899 -3.658 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.210 -3.604 -9.057 1.00 0.00 H new