USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=16 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 28 LYS NZ :NH3+ -142:sc= 0.578 (180deg=-0.0179) USER MOD Set 1.2: A 61 TYR OH : rot -110:sc= 0.38 USER MOD Set 2.1: A 35 SER OG : rot 0:sc= 0.352 USER MOD Set 2.2: A 38 SER OG : rot 30:sc= -1.84! USER MOD Set 3.1: A 23 ASN : amide:sc= 0.357 K(o=-1.4,f=-2.2) USER MOD Set 3.2: A 47 HIS :FLIP no HD1:sc= -1.81! C(o=-3.1!,f=-1.4!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 18 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 32 LYS NZ :NH3+ 170:sc= -0.0487 (180deg=-0.0846) USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.0995 USER MOD Single : A 39 THR OG1 : rot 63:sc= 0.435 USER MOD Single : A 44 MET CE :methyl -162:sc= -7.02! (180deg=-7.45!) USER MOD Single : A 48 THR OG1 : rot -55:sc= 1.08 USER MOD Single : A 52 TYR OH : rot -123:sc= 0.284 USER MOD Single : A 53 ASN : amide:sc= -0.526 K(o=-0.53,f=-2.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.435 F(o=-1.6,f=-0.43) USER MOD Single : A 57 HIS : no HE2:sc= -3.04 K(o=-3,f=-3.5!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -4.03! C(o=-6.9!,f=-4!) USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00183) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.441 4.095 -9.330 1.00 0.00 N ATOM 25 CA PHE A 10 10.695 3.528 -8.746 1.00 0.00 C ATOM 26 C PHE A 10 10.380 2.824 -7.417 1.00 0.00 C ATOM 27 O PHE A 10 9.481 3.212 -6.699 1.00 0.00 O ATOM 28 CB PHE A 10 11.627 4.746 -8.565 1.00 0.00 C ATOM 29 CG PHE A 10 11.857 5.052 -7.100 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.869 5.706 -6.356 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.062 4.683 -6.490 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.083 5.991 -5.004 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.278 4.968 -5.140 1.00 0.00 C ATOM 34 CZ PHE A 10 12.291 5.622 -4.393 1.00 0.00 C ATOM 0 HA PHE A 10 11.164 2.772 -9.376 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.582 4.551 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.191 5.616 -9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.940 5.991 -6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.825 4.178 -7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.319 6.495 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.208 4.683 -4.671 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.459 5.842 -3.349 1.00 0.00 H new ATOM 44 N VAL A 11 11.119 1.798 -7.084 1.00 0.00 N ATOM 45 CA VAL A 11 10.866 1.080 -5.801 1.00 0.00 C ATOM 46 C VAL A 11 11.803 1.640 -4.739 1.00 0.00 C ATOM 47 O VAL A 11 12.994 1.389 -4.764 1.00 0.00 O ATOM 48 CB VAL A 11 11.172 -0.398 -6.079 1.00 0.00 C ATOM 49 CG1 VAL A 11 10.986 -1.212 -4.793 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.218 -0.930 -7.154 1.00 0.00 C ATOM 0 H VAL A 11 11.886 1.427 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 11 9.843 1.199 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 11 12.201 -0.491 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.204 -2.261 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.665 -0.840 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.957 -1.114 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.438 -1.980 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.189 -0.833 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.347 -0.356 -8.071 1.00 0.00 H new ATOM 60 N ASP A 12 11.281 2.422 -3.825 1.00 0.00 N ATOM 61 CA ASP A 12 12.145 3.027 -2.772 1.00 0.00 C ATOM 62 C ASP A 12 13.090 1.989 -2.160 1.00 0.00 C ATOM 63 O ASP A 12 12.674 1.098 -1.445 1.00 0.00 O ATOM 64 CB ASP A 12 11.184 3.579 -1.715 1.00 0.00 C ATOM 65 CG ASP A 12 11.982 4.218 -0.574 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.752 5.125 -0.845 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.812 3.786 0.552 1.00 0.00 O ATOM 0 H ASP A 12 10.292 2.666 -3.766 1.00 0.00 H new ATOM 0 HA ASP A 12 12.782 3.808 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.519 4.317 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.555 2.777 -1.327 1.00 0.00 H new ATOM 72 N ASP A 13 14.366 2.121 -2.430 1.00 0.00 N ATOM 73 CA ASP A 13 15.364 1.176 -1.870 1.00 0.00 C ATOM 74 C ASP A 13 15.443 1.359 -0.356 1.00 0.00 C ATOM 75 O ASP A 13 15.848 0.469 0.365 1.00 0.00 O ATOM 76 CB ASP A 13 16.690 1.569 -2.524 1.00 0.00 C ATOM 77 CG ASP A 13 17.694 0.422 -2.377 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.688 -0.457 -3.223 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.451 0.442 -1.421 1.00 0.00 O ATOM 0 H ASP A 13 14.756 2.854 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 13 15.111 0.133 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.534 1.796 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 13 17.083 2.472 -2.058 1.00 0.00 H new ATOM 84 N HIS A 14 15.056 2.515 0.122 1.00 0.00 N ATOM 85 CA HIS A 14 15.096 2.783 1.583 1.00 0.00 C ATOM 86 C HIS A 14 14.140 1.841 2.323 1.00 0.00 C ATOM 87 O HIS A 14 14.414 1.408 3.426 1.00 0.00 O ATOM 88 CB HIS A 14 14.659 4.245 1.718 1.00 0.00 C ATOM 89 CG HIS A 14 15.494 4.925 2.768 1.00 0.00 C ATOM 90 ND1 HIS A 14 16.845 5.180 2.588 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.186 5.404 4.017 1.00 0.00 C ATOM 92 CE1 HIS A 14 17.295 5.786 3.702 1.00 0.00 C ATOM 93 NE2 HIS A 14 16.325 5.948 4.604 1.00 0.00 N ATOM 0 H HIS A 14 14.712 3.289 -0.447 1.00 0.00 H new ATOM 0 HA HIS A 14 16.082 2.615 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.769 4.758 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.604 4.297 1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.209 5.365 4.475 1.00 0.00 H new ATOM 0 HE1 HIS A 14 18.317 6.103 3.848 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.402 6.378 5.526 1.00 0.00 H new ATOM 101 N LEU A 15 13.038 1.494 1.709 1.00 0.00 N ATOM 102 CA LEU A 15 12.085 0.548 2.352 1.00 0.00 C ATOM 103 C LEU A 15 12.622 -0.871 2.141 1.00 0.00 C ATOM 104 O LEU A 15 12.558 -1.710 3.018 1.00 0.00 O ATOM 105 CB LEU A 15 10.736 0.797 1.646 1.00 0.00 C ATOM 106 CG LEU A 15 10.429 -0.283 0.603 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.861 -1.522 1.293 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.401 0.258 -0.396 1.00 0.00 C ATOM 0 H LEU A 15 12.759 1.828 0.787 1.00 0.00 H new ATOM 0 HA LEU A 15 11.963 0.684 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.938 0.823 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.754 1.774 1.163 1.00 0.00 H new ATOM 0 HG LEU A 15 11.347 -0.552 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.644 -2.287 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.589 -1.907 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.943 -1.257 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.179 -0.507 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.486 0.526 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.805 1.140 -0.892 1.00 0.00 H new ATOM 120 N LEU A 16 13.181 -1.119 0.980 1.00 0.00 N ATOM 121 CA LEU A 16 13.769 -2.454 0.681 1.00 0.00 C ATOM 122 C LEU A 16 14.905 -2.743 1.655 1.00 0.00 C ATOM 123 O LEU A 16 15.043 -3.843 2.145 1.00 0.00 O ATOM 124 CB LEU A 16 14.313 -2.356 -0.741 1.00 0.00 C ATOM 125 CG LEU A 16 13.248 -2.851 -1.703 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.260 -1.725 -1.971 1.00 0.00 C ATOM 127 CD2 LEU A 16 13.902 -3.297 -3.012 1.00 0.00 C ATOM 0 H LEU A 16 13.253 -0.442 0.221 1.00 0.00 H new ATOM 0 HA LEU A 16 13.035 -3.254 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.582 -1.326 -0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.220 -2.953 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 16 12.722 -3.700 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.491 -2.072 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.795 -1.419 -1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.785 -0.877 -2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.134 -3.652 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.430 -2.455 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.608 -4.102 -2.810 1.00 0.00 H new ATOM 139 N GLU A 17 15.713 -1.747 1.948 1.00 0.00 N ATOM 140 CA GLU A 17 16.841 -1.948 2.913 1.00 0.00 C ATOM 141 C GLU A 17 16.303 -2.600 4.198 1.00 0.00 C ATOM 142 O GLU A 17 16.984 -3.372 4.846 1.00 0.00 O ATOM 143 CB GLU A 17 17.415 -0.541 3.172 1.00 0.00 C ATOM 144 CG GLU A 17 17.001 -0.026 4.555 1.00 0.00 C ATOM 145 CD GLU A 17 17.595 1.367 4.783 1.00 0.00 C ATOM 146 OE1 GLU A 17 16.968 2.332 4.380 1.00 0.00 O ATOM 147 OE2 GLU A 17 18.668 1.445 5.359 1.00 0.00 O ATOM 0 H GLU A 17 15.638 -0.806 1.560 1.00 0.00 H new ATOM 0 HA GLU A 17 17.618 -2.611 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.502 -0.569 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.063 0.147 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.914 0.014 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.348 -0.711 5.328 1.00 0.00 H new ATOM 154 N LYS A 18 15.071 -2.310 4.545 1.00 0.00 N ATOM 155 CA LYS A 18 14.461 -2.924 5.762 1.00 0.00 C ATOM 156 C LYS A 18 13.780 -4.253 5.398 1.00 0.00 C ATOM 157 O LYS A 18 13.741 -5.169 6.195 1.00 0.00 O ATOM 158 CB LYS A 18 13.427 -1.905 6.248 1.00 0.00 C ATOM 159 CG LYS A 18 14.132 -0.768 6.995 1.00 0.00 C ATOM 160 CD LYS A 18 14.001 -0.986 8.504 1.00 0.00 C ATOM 161 CE LYS A 18 14.496 0.260 9.246 1.00 0.00 C ATOM 162 NZ LYS A 18 14.272 -0.034 10.690 1.00 0.00 N ATOM 0 H LYS A 18 14.462 -1.672 4.034 1.00 0.00 H new ATOM 0 HA LYS A 18 15.203 -3.146 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.870 -1.506 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.704 -2.391 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.184 -0.731 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.694 0.190 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.962 -1.188 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.581 -1.857 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.550 0.448 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.947 1.149 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.588 0.775 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.259 -0.202 10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.813 -0.880 10.960 1.00 0.00 H new ATOM 176 N VAL A 19 13.241 -4.364 4.200 1.00 0.00 N ATOM 177 CA VAL A 19 12.560 -5.638 3.790 1.00 0.00 C ATOM 178 C VAL A 19 13.572 -6.781 3.632 1.00 0.00 C ATOM 179 O VAL A 19 13.297 -7.903 4.010 1.00 0.00 O ATOM 180 CB VAL A 19 11.890 -5.345 2.449 1.00 0.00 C ATOM 181 CG1 VAL A 19 11.334 -6.650 1.875 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.747 -4.353 2.657 1.00 0.00 C ATOM 0 H VAL A 19 13.244 -3.629 3.493 1.00 0.00 H new ATOM 0 HA VAL A 19 11.840 -5.953 4.546 1.00 0.00 H new ATOM 0 HB VAL A 19 12.617 -4.918 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.854 -6.451 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.148 -7.360 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.604 -7.070 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.268 -4.143 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.015 -4.780 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.141 -3.427 3.076 1.00 0.00 H new ATOM 192 N LEU A 20 14.745 -6.506 3.109 1.00 0.00 N ATOM 193 CA LEU A 20 15.772 -7.591 2.972 1.00 0.00 C ATOM 194 C LEU A 20 16.080 -8.069 4.374 1.00 0.00 C ATOM 195 O LEU A 20 16.253 -9.245 4.635 1.00 0.00 O ATOM 196 CB LEU A 20 17.023 -6.951 2.352 1.00 0.00 C ATOM 197 CG LEU A 20 16.638 -6.136 1.122 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.735 -5.114 0.821 1.00 0.00 C ATOM 199 CD2 LEU A 20 16.459 -7.069 -0.078 1.00 0.00 C ATOM 0 H LEU A 20 15.034 -5.587 2.774 1.00 0.00 H new ATOM 0 HA LEU A 20 15.436 -8.422 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.514 -6.310 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.739 -7.725 2.076 1.00 0.00 H new ATOM 0 HG LEU A 20 15.701 -5.613 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.459 -4.532 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.855 -4.447 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.674 -5.634 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.184 -6.484 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.393 -7.596 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.672 -7.792 0.137 1.00 0.00 H new ATOM 211 N GLU A 21 16.108 -7.132 5.283 1.00 0.00 N ATOM 212 CA GLU A 21 16.356 -7.465 6.705 1.00 0.00 C ATOM 213 C GLU A 21 15.203 -8.329 7.237 1.00 0.00 C ATOM 214 O GLU A 21 15.408 -9.225 8.033 1.00 0.00 O ATOM 215 CB GLU A 21 16.396 -6.121 7.433 1.00 0.00 C ATOM 216 CG GLU A 21 17.247 -6.240 8.701 1.00 0.00 C ATOM 217 CD GLU A 21 16.421 -6.873 9.828 1.00 0.00 C ATOM 218 OE1 GLU A 21 15.424 -6.281 10.214 1.00 0.00 O ATOM 219 OE2 GLU A 21 16.801 -7.937 10.287 1.00 0.00 O ATOM 0 H GLU A 21 15.967 -6.140 5.093 1.00 0.00 H new ATOM 0 HA GLU A 21 17.280 -8.026 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.810 -5.355 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.385 -5.807 7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.130 -6.847 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.600 -5.255 9.006 1.00 0.00 H new ATOM 226 N LEU A 22 13.991 -8.072 6.787 1.00 0.00 N ATOM 227 CA LEU A 22 12.829 -8.888 7.257 1.00 0.00 C ATOM 228 C LEU A 22 12.853 -10.264 6.584 1.00 0.00 C ATOM 229 O LEU A 22 12.342 -11.229 7.114 1.00 0.00 O ATOM 230 CB LEU A 22 11.574 -8.106 6.839 1.00 0.00 C ATOM 231 CG LEU A 22 11.479 -6.752 7.572 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.025 -6.498 7.975 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.354 -6.741 8.833 1.00 0.00 C ATOM 0 H LEU A 22 13.762 -7.336 6.119 1.00 0.00 H new ATOM 0 HA LEU A 22 12.854 -9.052 8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.591 -7.937 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.686 -8.700 7.054 1.00 0.00 H new ATOM 0 HG LEU A 22 11.832 -5.972 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.953 -5.542 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.399 -6.475 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.686 -7.296 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.266 -5.774 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.024 -7.527 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.394 -6.914 8.556 1.00 0.00 H new ATOM 245 N ASN A 23 13.463 -10.362 5.428 1.00 0.00 N ATOM 246 CA ASN A 23 13.547 -11.679 4.727 1.00 0.00 C ATOM 247 C ASN A 23 14.742 -12.481 5.261 1.00 0.00 C ATOM 248 O ASN A 23 14.882 -13.658 4.985 1.00 0.00 O ATOM 249 CB ASN A 23 13.749 -11.338 3.248 1.00 0.00 C ATOM 250 CG ASN A 23 12.398 -11.012 2.605 1.00 0.00 C ATOM 251 OD1 ASN A 23 11.554 -11.875 2.462 1.00 0.00 O ATOM 252 ND2 ASN A 23 12.155 -9.792 2.209 1.00 0.00 N ATOM 0 H ASN A 23 13.907 -9.584 4.940 1.00 0.00 H new ATOM 0 HA ASN A 23 12.655 -12.286 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.424 -10.488 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.216 -12.177 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.258 -9.564 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.862 -9.067 2.328 1.00 0.00 H new ATOM 259 N ALA A 24 15.604 -11.851 6.030 1.00 0.00 N ATOM 260 CA ALA A 24 16.781 -12.557 6.590 1.00 0.00 C ATOM 261 C ALA A 24 16.420 -13.185 7.936 1.00 0.00 C ATOM 262 O ALA A 24 16.860 -14.272 8.261 1.00 0.00 O ATOM 263 CB ALA A 24 17.839 -11.470 6.778 1.00 0.00 C ATOM 0 H ALA A 24 15.532 -10.867 6.290 1.00 0.00 H new ATOM 0 HA ALA A 24 17.131 -13.361 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.746 -11.912 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.065 -11.012 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.462 -10.710 7.462 1.00 0.00 H new ATOM 269 N LYS A 25 15.615 -12.507 8.718 1.00 0.00 N ATOM 270 CA LYS A 25 15.213 -13.060 10.045 1.00 0.00 C ATOM 271 C LYS A 25 13.811 -13.664 9.949 1.00 0.00 C ATOM 272 O LYS A 25 13.443 -14.530 10.722 1.00 0.00 O ATOM 273 CB LYS A 25 15.209 -11.861 11.001 1.00 0.00 C ATOM 274 CG LYS A 25 16.504 -11.051 10.860 1.00 0.00 C ATOM 275 CD LYS A 25 17.719 -11.976 10.993 1.00 0.00 C ATOM 276 CE LYS A 25 18.940 -11.312 10.346 1.00 0.00 C ATOM 277 NZ LYS A 25 19.479 -10.383 11.381 1.00 0.00 N ATOM 0 H LYS A 25 15.220 -11.594 8.493 1.00 0.00 H new ATOM 0 HA LYS A 25 15.887 -13.846 10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.351 -11.224 10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.102 -12.209 12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.524 -10.548 9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.542 -10.275 11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.919 -12.183 12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.515 -12.933 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.685 -12.054 10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.661 -10.773 9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.317 -9.894 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.752 -9.682 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.744 -10.924 12.229 1.00 0.00 H new ATOM 291 N GLY A 26 13.026 -13.202 9.009 1.00 0.00 N ATOM 292 CA GLY A 26 11.638 -13.726 8.850 1.00 0.00 C ATOM 293 C GLY A 26 10.662 -12.807 9.590 1.00 0.00 C ATOM 294 O GLY A 26 9.630 -13.242 10.065 1.00 0.00 O ATOM 0 H GLY A 26 13.291 -12.479 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.376 -13.779 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.572 -14.740 9.246 1.00 0.00 H new ATOM 298 N GLU A 27 10.982 -11.538 9.691 1.00 0.00 N ATOM 299 CA GLU A 27 10.074 -10.586 10.403 1.00 0.00 C ATOM 300 C GLU A 27 8.916 -10.173 9.488 1.00 0.00 C ATOM 301 O GLU A 27 9.123 -9.704 8.384 1.00 0.00 O ATOM 302 CB GLU A 27 10.941 -9.367 10.734 1.00 0.00 C ATOM 303 CG GLU A 27 12.057 -9.762 11.707 1.00 0.00 C ATOM 304 CD GLU A 27 13.255 -8.826 11.518 1.00 0.00 C ATOM 305 OE1 GLU A 27 13.955 -8.982 10.531 1.00 0.00 O ATOM 306 OE2 GLU A 27 13.451 -7.967 12.361 1.00 0.00 O ATOM 0 H GLU A 27 11.832 -11.122 9.311 1.00 0.00 H new ATOM 0 HA GLU A 27 9.639 -11.033 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.373 -8.959 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.326 -8.582 11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.696 -9.705 12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.358 -10.795 11.532 1.00 0.00 H new ATOM 313 N LYS A 28 7.700 -10.340 9.942 1.00 0.00 N ATOM 314 CA LYS A 28 6.524 -9.952 9.107 1.00 0.00 C ATOM 315 C LYS A 28 5.892 -8.670 9.668 1.00 0.00 C ATOM 316 O LYS A 28 4.756 -8.663 10.106 1.00 0.00 O ATOM 317 CB LYS A 28 5.559 -11.135 9.209 1.00 0.00 C ATOM 318 CG LYS A 28 5.990 -12.231 8.231 1.00 0.00 C ATOM 319 CD LYS A 28 4.836 -13.213 8.016 1.00 0.00 C ATOM 320 CE LYS A 28 5.207 -14.210 6.913 1.00 0.00 C ATOM 321 NZ LYS A 28 4.862 -13.528 5.632 1.00 0.00 N ATOM 0 H LYS A 28 7.471 -10.729 10.857 1.00 0.00 H new ATOM 0 HA LYS A 28 6.791 -9.745 8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.550 -11.524 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.543 -10.810 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.285 -11.788 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.861 -12.758 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.620 -13.745 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.931 -12.671 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.267 -14.462 6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.653 -15.142 7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.469 -14.222 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.158 -12.784 5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.718 -13.102 5.224 1.00 0.00 H new ATOM 335 N ARG A 29 6.630 -7.586 9.659 1.00 0.00 N ATOM 336 CA ARG A 29 6.092 -6.299 10.191 1.00 0.00 C ATOM 337 C ARG A 29 5.839 -5.317 9.040 1.00 0.00 C ATOM 338 O ARG A 29 5.590 -5.718 7.918 1.00 0.00 O ATOM 339 CB ARG A 29 7.183 -5.775 11.132 1.00 0.00 C ATOM 340 CG ARG A 29 6.540 -5.200 12.399 1.00 0.00 C ATOM 341 CD ARG A 29 6.399 -6.303 13.455 1.00 0.00 C ATOM 342 NE ARG A 29 5.150 -7.034 13.091 1.00 0.00 N ATOM 343 CZ ARG A 29 3.990 -6.601 13.512 1.00 0.00 C ATOM 344 NH1 ARG A 29 3.237 -5.877 12.724 1.00 0.00 N ATOM 345 NH2 ARG A 29 3.583 -6.894 14.721 1.00 0.00 N ATOM 0 H ARG A 29 7.585 -7.539 9.304 1.00 0.00 H new ATOM 0 HA ARG A 29 5.141 -6.425 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.869 -6.581 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.771 -5.007 10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.150 -4.385 12.790 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.561 -4.782 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.262 -6.969 13.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.331 -5.882 14.458 1.00 0.00 H new ATOM 0 HE ARG A 29 5.201 -7.873 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.555 -5.650 11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.332 -5.539 13.052 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.170 -7.460 15.334 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.678 -6.557 15.050 1.00 0.00 H new ATOM 359 N LEU A 30 5.892 -4.035 9.311 1.00 0.00 N ATOM 360 CA LEU A 30 5.647 -3.032 8.236 1.00 0.00 C ATOM 361 C LEU A 30 6.893 -2.159 8.012 1.00 0.00 C ATOM 362 O LEU A 30 7.643 -1.878 8.928 1.00 0.00 O ATOM 363 CB LEU A 30 4.440 -2.208 8.736 1.00 0.00 C ATOM 364 CG LEU A 30 4.857 -0.783 9.139 1.00 0.00 C ATOM 365 CD1 LEU A 30 3.699 0.182 8.879 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.214 -0.759 10.629 1.00 0.00 C ATOM 0 H LEU A 30 6.094 -3.643 10.231 1.00 0.00 H new ATOM 0 HA LEU A 30 5.439 -3.492 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.683 -2.159 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.984 -2.710 9.590 1.00 0.00 H new ATOM 0 HG LEU A 30 5.723 -0.479 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.995 1.191 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.442 0.165 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.833 -0.122 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.510 0.250 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.347 -1.064 11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.039 -1.446 10.817 1.00 0.00 H new ATOM 378 N ILE A 31 7.105 -1.726 6.793 1.00 0.00 N ATOM 379 CA ILE A 31 8.287 -0.860 6.486 1.00 0.00 C ATOM 380 C ILE A 31 7.810 0.502 5.965 1.00 0.00 C ATOM 381 O ILE A 31 7.187 0.596 4.925 1.00 0.00 O ATOM 382 CB ILE A 31 9.078 -1.614 5.408 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.588 -2.938 5.990 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.272 -0.762 4.953 1.00 0.00 C ATOM 385 CD1 ILE A 31 8.826 -4.106 5.364 1.00 0.00 C ATOM 0 H ILE A 31 6.507 -1.936 5.994 1.00 0.00 H new ATOM 0 HA ILE A 31 8.902 -0.669 7.365 1.00 0.00 H new ATOM 0 HB ILE A 31 8.431 -1.813 4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.656 -3.043 5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.457 -2.945 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.832 -1.300 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.911 0.181 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.922 -0.562 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.192 -5.044 5.781 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.762 -4.004 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.980 -4.104 4.285 1.00 0.00 H new ATOM 397 N LYS A 32 8.097 1.555 6.689 1.00 0.00 N ATOM 398 CA LYS A 32 7.659 2.920 6.255 1.00 0.00 C ATOM 399 C LYS A 32 8.543 3.436 5.111 1.00 0.00 C ATOM 400 O LYS A 32 9.685 3.036 4.966 1.00 0.00 O ATOM 401 CB LYS A 32 7.821 3.812 7.493 1.00 0.00 C ATOM 402 CG LYS A 32 6.941 3.298 8.639 1.00 0.00 C ATOM 403 CD LYS A 32 5.504 3.112 8.149 1.00 0.00 C ATOM 404 CE LYS A 32 4.525 3.427 9.284 1.00 0.00 C ATOM 405 NZ LYS A 32 3.206 3.630 8.619 1.00 0.00 N ATOM 0 H LYS A 32 8.618 1.529 7.566 1.00 0.00 H new ATOM 0 HA LYS A 32 6.634 2.914 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.865 3.826 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.548 4.838 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.332 2.352 9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.963 4.003 9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.312 3.766 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.357 2.089 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.481 2.610 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.831 4.318 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.458 3.681 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.224 4.516 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.015 2.834 7.977 1.00 0.00 H new ATOM 419 N THR A 33 8.018 4.321 4.296 1.00 0.00 N ATOM 420 CA THR A 33 8.816 4.872 3.153 1.00 0.00 C ATOM 421 C THR A 33 8.629 6.396 3.057 1.00 0.00 C ATOM 422 O THR A 33 7.661 6.936 3.559 1.00 0.00 O ATOM 423 CB THR A 33 8.248 4.176 1.914 1.00 0.00 C ATOM 424 OG1 THR A 33 8.446 2.772 2.025 1.00 0.00 O ATOM 425 CG2 THR A 33 8.956 4.691 0.664 1.00 0.00 C ATOM 0 H THR A 33 7.069 4.686 4.373 1.00 0.00 H new ATOM 0 HA THR A 33 9.886 4.696 3.267 1.00 0.00 H new ATOM 0 HB THR A 33 7.182 4.389 1.839 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.945 2.314 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.549 4.193 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.802 5.767 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.023 4.482 0.738 1.00 0.00 H new ATOM 433 N TRP A 34 9.553 7.093 2.423 1.00 0.00 N ATOM 434 CA TRP A 34 9.430 8.587 2.301 1.00 0.00 C ATOM 435 C TRP A 34 10.037 9.088 0.979 1.00 0.00 C ATOM 436 O TRP A 34 10.661 10.133 0.935 1.00 0.00 O ATOM 437 CB TRP A 34 10.225 9.165 3.480 1.00 0.00 C ATOM 438 CG TRP A 34 9.793 8.527 4.759 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.770 8.949 5.529 1.00 0.00 C ATOM 440 CD2 TRP A 34 10.353 7.361 5.420 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.668 8.119 6.631 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.627 7.123 6.608 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.414 6.498 5.103 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.945 6.064 7.458 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.738 5.428 5.953 1.00 0.00 C ATOM 446 CH2 TRP A 34 11.005 5.214 7.130 1.00 0.00 C ATOM 0 H TRP A 34 10.383 6.692 1.987 1.00 0.00 H new ATOM 0 HA TRP A 34 8.384 8.893 2.312 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.291 8.999 3.325 1.00 0.00 H new ATOM 0 HB3 TRP A 34 10.075 10.243 3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.134 9.796 5.320 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.972 8.228 7.369 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.984 6.658 4.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.377 5.902 8.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.554 4.768 5.700 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.260 4.392 7.783 1.00 0.00 H new ATOM 457 N SER A 35 9.869 8.358 -0.095 1.00 0.00 N ATOM 458 CA SER A 35 10.450 8.801 -1.405 1.00 0.00 C ATOM 459 C SER A 35 9.404 9.579 -2.233 1.00 0.00 C ATOM 460 O SER A 35 8.757 10.475 -1.726 1.00 0.00 O ATOM 461 CB SER A 35 10.875 7.506 -2.099 1.00 0.00 C ATOM 462 OG SER A 35 9.729 6.703 -2.346 1.00 0.00 O ATOM 0 H SER A 35 9.357 7.477 -0.124 1.00 0.00 H new ATOM 0 HA SER A 35 11.291 9.483 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.382 7.733 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.585 6.963 -1.476 1.00 0.00 H new ATOM 0 HG SER A 35 8.930 7.163 -2.014 1.00 0.00 H new ATOM 468 N ARG A 36 9.241 9.258 -3.500 1.00 0.00 N ATOM 469 CA ARG A 36 8.243 9.991 -4.342 1.00 0.00 C ATOM 470 C ARG A 36 7.386 8.997 -5.140 1.00 0.00 C ATOM 471 O ARG A 36 6.190 8.905 -4.940 1.00 0.00 O ATOM 472 CB ARG A 36 9.079 10.863 -5.285 1.00 0.00 C ATOM 473 CG ARG A 36 9.315 12.231 -4.641 1.00 0.00 C ATOM 474 CD ARG A 36 9.988 13.163 -5.653 1.00 0.00 C ATOM 475 NE ARG A 36 10.139 14.463 -4.940 1.00 0.00 N ATOM 476 CZ ARG A 36 11.307 14.828 -4.481 1.00 0.00 C ATOM 477 NH1 ARG A 36 12.107 15.543 -5.230 1.00 0.00 N ATOM 478 NH2 ARG A 36 11.674 14.479 -3.276 1.00 0.00 N ATOM 0 H ARG A 36 9.756 8.522 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 36 7.556 10.587 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.033 10.379 -5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.565 10.982 -6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 36 8.368 12.658 -4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.942 12.125 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.955 12.771 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.381 13.274 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 36 9.329 15.069 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.819 15.814 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.019 15.829 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.049 13.922 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.586 14.764 -2.918 1.00 0.00 H new ATOM 492 N ARG A 37 7.990 8.252 -6.039 1.00 0.00 N ATOM 493 CA ARG A 37 7.210 7.260 -6.846 1.00 0.00 C ATOM 494 C ARG A 37 7.347 5.859 -6.235 1.00 0.00 C ATOM 495 O ARG A 37 7.497 4.878 -6.936 1.00 0.00 O ATOM 496 CB ARG A 37 7.834 7.305 -8.244 1.00 0.00 C ATOM 497 CG ARG A 37 7.475 8.629 -8.922 1.00 0.00 C ATOM 498 CD ARG A 37 8.749 9.445 -9.167 1.00 0.00 C ATOM 499 NE ARG A 37 9.473 8.724 -10.255 1.00 0.00 N ATOM 500 CZ ARG A 37 10.780 8.725 -10.282 1.00 0.00 C ATOM 501 NH1 ARG A 37 11.411 9.346 -11.245 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.454 8.105 -9.348 1.00 0.00 N ATOM 0 H ARG A 37 8.988 8.289 -6.247 1.00 0.00 H new ATOM 0 HA ARG A 37 6.145 7.492 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.917 7.202 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.473 6.468 -8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.966 8.439 -9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.784 9.194 -8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.511 10.467 -9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.356 9.507 -8.264 1.00 0.00 H new ATOM 0 HE ARG A 37 8.948 8.231 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.883 9.828 -11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.431 9.348 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.960 7.621 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.474 8.106 -9.369 1.00 0.00 H new ATOM 516 N SER A 38 7.302 5.780 -4.925 1.00 0.00 N ATOM 517 CA SER A 38 7.435 4.472 -4.204 1.00 0.00 C ATOM 518 C SER A 38 6.683 3.335 -4.909 1.00 0.00 C ATOM 519 O SER A 38 5.495 3.416 -5.157 1.00 0.00 O ATOM 520 CB SER A 38 6.819 4.724 -2.826 1.00 0.00 C ATOM 521 OG SER A 38 7.858 4.957 -1.892 1.00 0.00 O ATOM 0 H SER A 38 7.176 6.586 -4.312 1.00 0.00 H new ATOM 0 HA SER A 38 8.478 4.157 -4.162 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.148 5.582 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.221 3.866 -2.518 1.00 0.00 H new ATOM 0 HG SER A 38 8.622 5.368 -2.348 1.00 0.00 H new ATOM 527 N THR A 39 7.380 2.265 -5.198 1.00 0.00 N ATOM 528 CA THR A 39 6.741 1.083 -5.851 1.00 0.00 C ATOM 529 C THR A 39 7.087 -0.172 -5.050 1.00 0.00 C ATOM 530 O THR A 39 8.073 -0.210 -4.336 1.00 0.00 O ATOM 531 CB THR A 39 7.326 0.999 -7.267 1.00 0.00 C ATOM 532 OG1 THR A 39 6.962 2.161 -7.999 1.00 0.00 O ATOM 533 CG2 THR A 39 6.772 -0.248 -7.975 1.00 0.00 C ATOM 0 H THR A 39 8.376 2.160 -5.007 1.00 0.00 H new ATOM 0 HA THR A 39 5.655 1.172 -5.891 1.00 0.00 H new ATOM 0 HB THR A 39 8.412 0.932 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.354 2.952 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.186 -0.309 -8.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.050 -1.139 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.686 -0.181 -8.034 1.00 0.00 H new ATOM 541 N ILE A 40 6.278 -1.190 -5.146 1.00 0.00 N ATOM 542 CA ILE A 40 6.556 -2.435 -4.365 1.00 0.00 C ATOM 543 C ILE A 40 7.501 -3.382 -5.131 1.00 0.00 C ATOM 544 O ILE A 40 7.766 -3.202 -6.305 1.00 0.00 O ATOM 545 CB ILE A 40 5.180 -3.072 -4.162 1.00 0.00 C ATOM 546 CG1 ILE A 40 4.292 -2.122 -3.348 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.322 -4.383 -3.403 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.529 -1.192 -4.291 1.00 0.00 C ATOM 0 H ILE A 40 5.440 -1.217 -5.727 1.00 0.00 H new ATOM 0 HA ILE A 40 7.059 -2.224 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 40 4.730 -3.261 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.591 -2.695 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.903 -1.537 -2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.338 -4.830 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.953 -5.066 -3.971 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.777 -4.193 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.900 -0.519 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.238 -0.608 -4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.905 -1.784 -4.960 1.00 0.00 H new ATOM 560 N VAL A 41 7.997 -4.400 -4.459 1.00 0.00 N ATOM 561 CA VAL A 41 8.919 -5.390 -5.114 1.00 0.00 C ATOM 562 C VAL A 41 8.537 -6.814 -4.709 1.00 0.00 C ATOM 563 O VAL A 41 7.696 -7.017 -3.853 1.00 0.00 O ATOM 564 CB VAL A 41 10.359 -5.084 -4.643 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.120 -4.380 -5.767 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.374 -4.189 -3.396 1.00 0.00 C ATOM 0 H VAL A 41 7.800 -4.588 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 41 8.845 -5.309 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 41 10.834 -6.031 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.136 -4.163 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.153 -5.026 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.614 -3.449 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.405 -3.998 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.880 -3.244 -3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.848 -4.689 -2.583 1.00 0.00 H new ATOM 576 N PRO A 42 9.172 -7.758 -5.356 1.00 0.00 N ATOM 577 CA PRO A 42 8.901 -9.193 -5.084 1.00 0.00 C ATOM 578 C PRO A 42 9.350 -9.585 -3.673 1.00 0.00 C ATOM 579 O PRO A 42 8.741 -10.422 -3.037 1.00 0.00 O ATOM 580 CB PRO A 42 9.722 -9.908 -6.147 1.00 0.00 C ATOM 581 CG PRO A 42 10.804 -8.951 -6.512 1.00 0.00 C ATOM 582 CD PRO A 42 10.203 -7.584 -6.391 1.00 0.00 C ATOM 0 HA PRO A 42 7.841 -9.444 -5.125 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.134 -10.842 -5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.111 -10.161 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.662 -9.060 -5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.160 -9.133 -7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.946 -6.842 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.773 -7.249 -7.335 1.00 0.00 H new ATOM 590 N GLU A 43 10.397 -8.977 -3.178 1.00 0.00 N ATOM 591 CA GLU A 43 10.879 -9.299 -1.800 1.00 0.00 C ATOM 592 C GLU A 43 9.880 -8.793 -0.741 1.00 0.00 C ATOM 593 O GLU A 43 10.041 -9.044 0.438 1.00 0.00 O ATOM 594 CB GLU A 43 12.228 -8.579 -1.659 1.00 0.00 C ATOM 595 CG GLU A 43 12.024 -7.059 -1.682 1.00 0.00 C ATOM 596 CD GLU A 43 13.364 -6.357 -1.444 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.178 -6.354 -2.354 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.553 -5.832 -0.358 1.00 0.00 O ATOM 0 H GLU A 43 10.941 -8.269 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 43 10.977 -10.374 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.710 -8.874 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.893 -8.876 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.607 -6.752 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.307 -6.766 -0.915 1.00 0.00 H new ATOM 605 N MET A 44 8.852 -8.083 -1.152 1.00 0.00 N ATOM 606 CA MET A 44 7.851 -7.561 -0.173 1.00 0.00 C ATOM 607 C MET A 44 6.682 -8.547 0.012 1.00 0.00 C ATOM 608 O MET A 44 5.774 -8.293 0.775 1.00 0.00 O ATOM 609 CB MET A 44 7.361 -6.246 -0.781 1.00 0.00 C ATOM 610 CG MET A 44 8.563 -5.340 -1.058 1.00 0.00 C ATOM 611 SD MET A 44 8.488 -3.873 -0.006 1.00 0.00 S ATOM 612 CE MET A 44 7.649 -2.784 -1.181 1.00 0.00 C ATOM 0 H MET A 44 8.666 -7.844 -2.126 1.00 0.00 H new ATOM 0 HA MET A 44 8.286 -7.423 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.816 -6.440 -1.705 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.668 -5.753 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.489 -5.884 -0.872 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.572 -5.045 -2.107 1.00 0.00 H new ATOM 0 HE1 MET A 44 7.780 -1.747 -0.873 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.075 -2.924 -2.175 1.00 0.00 H new ATOM 0 HE3 MET A 44 6.586 -3.024 -1.204 1.00 0.00 H new ATOM 622 N VAL A 45 6.700 -9.665 -0.687 1.00 0.00 N ATOM 623 CA VAL A 45 5.599 -10.695 -0.596 1.00 0.00 C ATOM 624 C VAL A 45 5.275 -11.181 0.848 1.00 0.00 C ATOM 625 O VAL A 45 4.489 -12.094 1.017 1.00 0.00 O ATOM 626 CB VAL A 45 6.126 -11.859 -1.462 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.506 -12.305 -0.959 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.159 -13.047 -1.404 1.00 0.00 C ATOM 0 H VAL A 45 7.449 -9.914 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 45 4.652 -10.273 -0.932 1.00 0.00 H new ATOM 0 HB VAL A 45 6.207 -11.513 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.870 -13.127 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.203 -11.469 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.426 -12.636 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.544 -13.860 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.062 -13.387 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.182 -12.740 -1.778 1.00 0.00 H new ATOM 638 N GLY A 46 5.829 -10.596 1.882 1.00 0.00 N ATOM 639 CA GLY A 46 5.491 -11.063 3.263 1.00 0.00 C ATOM 640 C GLY A 46 5.559 -9.894 4.252 1.00 0.00 C ATOM 641 O GLY A 46 5.854 -10.086 5.418 1.00 0.00 O ATOM 0 H GLY A 46 6.493 -9.824 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.492 -11.498 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.183 -11.847 3.569 1.00 0.00 H new ATOM 645 N HIS A 47 5.296 -8.683 3.805 1.00 0.00 N ATOM 646 CA HIS A 47 5.361 -7.510 4.737 1.00 0.00 C ATOM 647 C HIS A 47 4.345 -6.431 4.342 1.00 0.00 C ATOM 648 O HIS A 47 3.959 -6.315 3.193 1.00 0.00 O ATOM 649 CB HIS A 47 6.788 -6.935 4.611 1.00 0.00 C ATOM 650 CG HIS A 47 7.808 -8.036 4.450 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.296 -8.676 3.338 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.461 -8.606 5.531 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.237 -9.628 3.718 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.299 -9.544 5.050 1.00 0.00 N flip ATOM 0 H HIS A 47 5.041 -8.460 2.843 1.00 0.00 H new ATOM 0 HA HIS A 47 5.129 -7.821 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.837 -6.262 3.755 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.024 -6.344 5.496 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.323 -8.345 6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.796 -10.291 3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.907 -10.120 5.632 1.00 0.00 H new ATOM 662 N THR A 48 3.949 -5.614 5.289 1.00 0.00 N ATOM 663 CA THR A 48 3.001 -4.501 5.003 1.00 0.00 C ATOM 664 C THR A 48 3.839 -3.232 4.902 1.00 0.00 C ATOM 665 O THR A 48 4.130 -2.581 5.884 1.00 0.00 O ATOM 666 CB THR A 48 2.034 -4.439 6.202 1.00 0.00 C ATOM 667 OG1 THR A 48 2.044 -5.676 6.907 1.00 0.00 O ATOM 668 CG2 THR A 48 0.616 -4.156 5.706 1.00 0.00 C ATOM 0 H THR A 48 4.250 -5.676 6.262 1.00 0.00 H new ATOM 0 HA THR A 48 2.432 -4.629 4.082 1.00 0.00 H new ATOM 0 HB THR A 48 2.357 -3.641 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.834 -6.407 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.065 -4.113 6.556 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.599 -3.202 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.302 -4.951 5.029 1.00 0.00 H new ATOM 676 N ILE A 49 4.279 -2.911 3.724 1.00 0.00 N ATOM 677 CA ILE A 49 5.160 -1.720 3.571 1.00 0.00 C ATOM 678 C ILE A 49 4.352 -0.452 3.339 1.00 0.00 C ATOM 679 O ILE A 49 3.607 -0.343 2.384 1.00 0.00 O ATOM 680 CB ILE A 49 6.053 -2.052 2.377 1.00 0.00 C ATOM 681 CG1 ILE A 49 7.001 -3.184 2.789 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.870 -0.818 1.975 1.00 0.00 C ATOM 683 CD1 ILE A 49 6.575 -4.490 2.118 1.00 0.00 C ATOM 0 H ILE A 49 4.071 -3.416 2.863 1.00 0.00 H new ATOM 0 HA ILE A 49 5.742 -1.521 4.471 1.00 0.00 H new ATOM 0 HB ILE A 49 5.442 -2.358 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.023 -2.935 2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.991 -3.302 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.504 -1.063 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.194 -0.007 1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.493 -0.505 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.253 -5.290 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.560 -4.742 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.608 -4.370 1.035 1.00 0.00 H new ATOM 695 N ALA A 50 4.512 0.515 4.210 1.00 0.00 N ATOM 696 CA ALA A 50 3.773 1.792 4.046 1.00 0.00 C ATOM 697 C ALA A 50 4.463 2.638 2.986 1.00 0.00 C ATOM 698 O ALA A 50 5.244 3.528 3.281 1.00 0.00 O ATOM 699 CB ALA A 50 3.782 2.468 5.412 1.00 0.00 C ATOM 0 H ALA A 50 5.124 0.469 5.025 1.00 0.00 H new ATOM 0 HA ALA A 50 2.746 1.643 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.250 3.417 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.292 1.823 6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.811 2.648 5.722 1.00 0.00 H new ATOM 705 N VAL A 51 4.177 2.344 1.747 1.00 0.00 N ATOM 706 CA VAL A 51 4.803 3.101 0.621 1.00 0.00 C ATOM 707 C VAL A 51 4.413 4.578 0.704 1.00 0.00 C ATOM 708 O VAL A 51 3.265 4.915 0.932 1.00 0.00 O ATOM 709 CB VAL A 51 4.261 2.465 -0.672 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.592 0.968 -0.696 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.739 2.653 -0.755 1.00 0.00 C ATOM 0 H VAL A 51 3.532 1.607 1.463 1.00 0.00 H new ATOM 0 HA VAL A 51 5.891 3.053 0.655 1.00 0.00 H new ATOM 0 HB VAL A 51 4.730 2.954 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.205 0.525 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.673 0.834 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.133 0.480 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.366 2.200 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.266 2.176 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.503 3.717 -0.754 1.00 0.00 H new ATOM 721 N TYR A 52 5.357 5.461 0.523 1.00 0.00 N ATOM 722 CA TYR A 52 5.034 6.913 0.592 1.00 0.00 C ATOM 723 C TYR A 52 4.416 7.362 -0.733 1.00 0.00 C ATOM 724 O TYR A 52 5.096 7.491 -1.736 1.00 0.00 O ATOM 725 CB TYR A 52 6.371 7.623 0.848 1.00 0.00 C ATOM 726 CG TYR A 52 6.121 9.054 1.266 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.297 9.334 2.363 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.722 10.100 0.560 1.00 0.00 C ATOM 729 CE1 TYR A 52 5.077 10.659 2.752 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.502 11.425 0.948 1.00 0.00 C ATOM 731 CZ TYR A 52 5.678 11.706 2.046 1.00 0.00 C ATOM 732 OH TYR A 52 5.462 13.014 2.431 1.00 0.00 O ATOM 0 H TYR A 52 6.334 5.240 0.331 1.00 0.00 H new ATOM 0 HA TYR A 52 4.314 7.144 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.928 7.100 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.984 7.600 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.831 8.527 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.357 9.884 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.442 10.874 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.967 12.232 0.401 1.00 0.00 H new ATOM 0 HH TYR A 52 5.097 13.521 1.676 1.00 0.00 H new ATOM 742 N ASN A 53 3.128 7.610 -0.740 1.00 0.00 N ATOM 743 CA ASN A 53 2.450 8.067 -1.996 1.00 0.00 C ATOM 744 C ASN A 53 2.865 9.514 -2.333 1.00 0.00 C ATOM 745 O ASN A 53 2.428 10.081 -3.316 1.00 0.00 O ATOM 746 CB ASN A 53 0.951 7.983 -1.671 1.00 0.00 C ATOM 747 CG ASN A 53 0.127 8.639 -2.782 1.00 0.00 C ATOM 748 OD1 ASN A 53 -0.089 8.052 -3.824 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.345 9.844 -2.602 1.00 0.00 N ATOM 0 H ASN A 53 2.516 7.516 0.070 1.00 0.00 H new ATOM 0 HA ASN A 53 2.716 7.463 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.655 6.940 -1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.750 8.477 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.894 10.291 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.164 10.337 -1.728 1.00 0.00 H new ATOM 756 N GLY A 54 3.689 10.113 -1.509 1.00 0.00 N ATOM 757 CA GLY A 54 4.118 11.521 -1.742 1.00 0.00 C ATOM 758 C GLY A 54 3.699 12.343 -0.521 1.00 0.00 C ATOM 759 O GLY A 54 4.253 13.390 -0.241 1.00 0.00 O ATOM 0 H GLY A 54 4.086 9.678 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.197 11.573 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.656 11.917 -2.646 1.00 0.00 H new ATOM 763 N LYS A 55 2.718 11.858 0.207 1.00 0.00 N ATOM 764 CA LYS A 55 2.234 12.574 1.424 1.00 0.00 C ATOM 765 C LYS A 55 1.916 11.586 2.560 1.00 0.00 C ATOM 766 O LYS A 55 1.973 11.941 3.722 1.00 0.00 O ATOM 767 CB LYS A 55 0.954 13.308 0.996 1.00 0.00 C ATOM 768 CG LYS A 55 0.160 12.473 -0.017 1.00 0.00 C ATOM 769 CD LYS A 55 -1.264 13.023 -0.130 1.00 0.00 C ATOM 770 CE LYS A 55 -1.724 12.960 -1.590 1.00 0.00 C ATOM 771 NZ LYS A 55 -3.109 13.513 -1.587 1.00 0.00 N ATOM 0 H LYS A 55 2.229 10.986 0.004 1.00 0.00 H new ATOM 0 HA LYS A 55 2.994 13.258 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.336 13.511 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.212 14.272 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.650 12.501 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.134 11.430 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.939 12.444 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.297 14.052 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.068 13.544 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.709 11.936 -1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.490 13.501 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.713 12.933 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.092 14.491 -1.234 1.00 0.00 H new ATOM 785 N GLN A 56 1.546 10.366 2.237 1.00 0.00 N ATOM 786 CA GLN A 56 1.184 9.384 3.304 1.00 0.00 C ATOM 787 C GLN A 56 1.882 8.031 3.108 1.00 0.00 C ATOM 788 O GLN A 56 2.229 7.643 2.009 1.00 0.00 O ATOM 789 CB GLN A 56 -0.344 9.269 3.169 1.00 0.00 C ATOM 790 CG GLN A 56 -0.772 7.884 2.666 1.00 0.00 C ATOM 791 CD GLN A 56 -1.586 7.172 3.749 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.998 6.798 4.853 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.770 6.953 3.590 1.00 0.00 N flip ATOM 0 H GLN A 56 1.480 10.012 1.283 1.00 0.00 H new ATOM 0 HA GLN A 56 1.501 9.704 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.809 9.464 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.706 10.033 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.366 7.984 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.106 7.292 2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.231 7.244 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.303 6.478 4.318 1.00 0.00 H new ATOM 802 N HIS A 57 2.047 7.302 4.186 1.00 0.00 N ATOM 803 CA HIS A 57 2.671 5.951 4.117 1.00 0.00 C ATOM 804 C HIS A 57 1.550 4.908 4.144 1.00 0.00 C ATOM 805 O HIS A 57 0.886 4.741 5.149 1.00 0.00 O ATOM 806 CB HIS A 57 3.536 5.820 5.383 1.00 0.00 C ATOM 807 CG HIS A 57 4.215 7.126 5.706 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.277 7.613 4.964 1.00 0.00 N ATOM 809 CD2 HIS A 57 3.979 8.061 6.682 1.00 0.00 C ATOM 810 CE1 HIS A 57 5.635 8.794 5.499 1.00 0.00 C ATOM 811 NE2 HIS A 57 4.878 9.114 6.550 1.00 0.00 N ATOM 0 H HIS A 57 1.770 7.594 5.123 1.00 0.00 H new ATOM 0 HA HIS A 57 3.269 5.808 3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.914 5.511 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.285 5.042 5.238 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.709 7.159 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.211 7.990 7.438 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.439 9.409 5.123 1.00 0.00 H new ATOM 819 N VAL A 58 1.316 4.223 3.055 1.00 0.00 N ATOM 820 CA VAL A 58 0.216 3.206 3.031 1.00 0.00 C ATOM 821 C VAL A 58 0.794 1.803 3.273 1.00 0.00 C ATOM 822 O VAL A 58 1.291 1.180 2.351 1.00 0.00 O ATOM 823 CB VAL A 58 -0.400 3.311 1.627 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.649 2.431 1.547 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.789 4.767 1.338 1.00 0.00 C ATOM 0 H VAL A 58 1.835 4.321 2.183 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.529 3.380 3.808 1.00 0.00 H new ATOM 0 HB VAL A 58 0.332 2.977 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.084 2.507 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.377 1.394 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.377 2.764 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.225 4.836 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.517 5.103 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.098 5.398 1.390 1.00 0.00 H new ATOM 835 N PRO A 59 0.727 1.354 4.516 1.00 0.00 N ATOM 836 CA PRO A 59 1.269 0.017 4.890 1.00 0.00 C ATOM 837 C PRO A 59 0.447 -1.072 4.221 1.00 0.00 C ATOM 838 O PRO A 59 -0.570 -1.516 4.721 1.00 0.00 O ATOM 839 CB PRO A 59 1.133 -0.022 6.411 1.00 0.00 C ATOM 840 CG PRO A 59 0.038 0.947 6.712 1.00 0.00 C ATOM 841 CD PRO A 59 0.137 2.032 5.674 1.00 0.00 C ATOM 0 HA PRO A 59 2.300 -0.144 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.885 -1.024 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.064 0.266 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.935 0.458 6.672 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.147 1.358 7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.841 2.450 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.762 2.857 6.016 1.00 0.00 H new ATOM 849 N VAL A 60 0.887 -1.475 3.072 1.00 0.00 N ATOM 850 CA VAL A 60 0.155 -2.521 2.300 1.00 0.00 C ATOM 851 C VAL A 60 0.853 -3.877 2.388 1.00 0.00 C ATOM 852 O VAL A 60 2.009 -4.009 2.040 1.00 0.00 O ATOM 853 CB VAL A 60 0.164 -2.041 0.840 1.00 0.00 C ATOM 854 CG1 VAL A 60 -0.771 -0.840 0.682 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.583 -1.645 0.405 1.00 0.00 C ATOM 0 H VAL A 60 1.733 -1.124 2.623 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.852 -2.654 2.696 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.180 -2.860 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.760 -0.504 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.785 -1.129 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.435 -0.030 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.565 -1.309 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.947 -0.839 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.245 -2.506 0.496 1.00 0.00 H new ATOM 865 N TYR A 61 0.151 -4.901 2.806 1.00 0.00 N ATOM 866 CA TYR A 61 0.785 -6.249 2.843 1.00 0.00 C ATOM 867 C TYR A 61 0.913 -6.716 1.393 1.00 0.00 C ATOM 868 O TYR A 61 -0.058 -7.081 0.755 1.00 0.00 O ATOM 869 CB TYR A 61 -0.155 -7.153 3.645 1.00 0.00 C ATOM 870 CG TYR A 61 0.654 -8.259 4.282 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.226 -9.256 3.482 1.00 0.00 C ATOM 872 CD2 TYR A 61 0.840 -8.282 5.669 1.00 0.00 C ATOM 873 CE1 TYR A 61 1.982 -10.278 4.069 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.596 -9.303 6.256 1.00 0.00 C ATOM 875 CZ TYR A 61 2.167 -10.301 5.456 1.00 0.00 C ATOM 876 OH TYR A 61 2.914 -11.306 6.036 1.00 0.00 O ATOM 0 H TYR A 61 -0.819 -4.861 3.118 1.00 0.00 H new ATOM 0 HA TYR A 61 1.771 -6.258 3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.671 -6.575 4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.921 -7.574 2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.084 -9.237 2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.400 -7.512 6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.422 -11.048 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.739 -9.321 7.326 1.00 0.00 H new ATOM 0 HH TYR A 61 2.324 -11.899 6.547 1.00 0.00 H new ATOM 886 N ILE A 62 2.097 -6.639 0.857 1.00 0.00 N ATOM 887 CA ILE A 62 2.319 -6.999 -0.576 1.00 0.00 C ATOM 888 C ILE A 62 1.855 -8.417 -0.918 1.00 0.00 C ATOM 889 O ILE A 62 1.018 -8.598 -1.780 1.00 0.00 O ATOM 890 CB ILE A 62 3.829 -6.854 -0.780 1.00 0.00 C ATOM 891 CG1 ILE A 62 4.175 -5.397 -1.064 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.290 -7.703 -1.970 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.213 -4.591 0.228 1.00 0.00 C ATOM 0 H ILE A 62 2.934 -6.338 1.355 1.00 0.00 H new ATOM 0 HA ILE A 62 1.735 -6.354 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 62 4.331 -7.190 0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.142 -5.338 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.438 -4.969 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.366 -7.590 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.056 -8.751 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.776 -7.373 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.462 -3.554 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.237 -4.633 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.967 -5.008 0.895 1.00 0.00 H new ATOM 905 N THR A 63 2.433 -9.417 -0.301 1.00 0.00 N ATOM 906 CA THR A 63 2.073 -10.828 -0.643 1.00 0.00 C ATOM 907 C THR A 63 2.519 -11.084 -2.091 1.00 0.00 C ATOM 908 O THR A 63 2.976 -10.182 -2.769 1.00 0.00 O ATOM 909 CB THR A 63 0.544 -10.947 -0.495 1.00 0.00 C ATOM 910 OG1 THR A 63 0.108 -10.203 0.636 1.00 0.00 O ATOM 911 CG2 THR A 63 0.159 -12.417 -0.311 1.00 0.00 C ATOM 0 H THR A 63 3.141 -9.317 0.427 1.00 0.00 H new ATOM 0 HA THR A 63 2.556 -11.560 0.004 1.00 0.00 H new ATOM 0 HB THR A 63 0.068 -10.553 -1.393 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.865 -10.281 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.923 -12.499 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.484 -12.990 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.641 -12.810 0.584 1.00 0.00 H new ATOM 919 N GLU A 64 2.410 -12.285 -2.581 1.00 0.00 N ATOM 920 CA GLU A 64 2.853 -12.534 -3.984 1.00 0.00 C ATOM 921 C GLU A 64 1.714 -12.196 -4.963 1.00 0.00 C ATOM 922 O GLU A 64 1.264 -13.041 -5.717 1.00 0.00 O ATOM 923 CB GLU A 64 3.199 -14.028 -4.037 1.00 0.00 C ATOM 924 CG GLU A 64 4.400 -14.243 -4.962 1.00 0.00 C ATOM 925 CD GLU A 64 3.912 -14.512 -6.389 1.00 0.00 C ATOM 926 OE1 GLU A 64 3.563 -15.647 -6.672 1.00 0.00 O ATOM 927 OE2 GLU A 64 3.895 -13.579 -7.174 1.00 0.00 O ATOM 0 H GLU A 64 2.040 -13.095 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 64 3.706 -11.917 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.427 -14.395 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.343 -14.598 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.044 -13.364 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.998 -15.082 -4.608 1.00 0.00 H new ATOM 934 N ASN A 65 1.232 -10.966 -4.956 1.00 0.00 N ATOM 935 CA ASN A 65 0.113 -10.601 -5.890 1.00 0.00 C ATOM 936 C ASN A 65 -0.197 -9.088 -5.909 1.00 0.00 C ATOM 937 O ASN A 65 -0.721 -8.586 -6.886 1.00 0.00 O ATOM 938 CB ASN A 65 -1.105 -11.371 -5.366 1.00 0.00 C ATOM 939 CG ASN A 65 -1.958 -11.844 -6.546 1.00 0.00 C ATOM 940 OD1 ASN A 65 -1.777 -12.940 -7.039 1.00 0.00 O ATOM 941 ND2 ASN A 65 -2.885 -11.059 -7.024 1.00 0.00 N ATOM 0 H ASN A 65 1.561 -10.212 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 65 0.383 -10.854 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.780 -12.226 -4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.696 -10.733 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.457 -11.366 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.037 -10.139 -6.611 1.00 0.00 H new ATOM 948 N MET A 66 0.089 -8.357 -4.854 1.00 0.00 N ATOM 949 CA MET A 66 -0.232 -6.892 -4.857 1.00 0.00 C ATOM 950 C MET A 66 0.938 -6.070 -5.424 1.00 0.00 C ATOM 951 O MET A 66 0.749 -4.981 -5.929 1.00 0.00 O ATOM 952 CB MET A 66 -0.491 -6.544 -3.391 1.00 0.00 C ATOM 953 CG MET A 66 -1.610 -7.431 -2.831 1.00 0.00 C ATOM 954 SD MET A 66 -3.101 -6.434 -2.577 1.00 0.00 S ATOM 955 CE MET A 66 -2.812 -6.028 -0.838 1.00 0.00 C ATOM 0 H MET A 66 0.526 -8.707 -4.001 1.00 0.00 H new ATOM 0 HA MET A 66 -1.090 -6.663 -5.488 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.420 -6.683 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.769 -5.494 -3.302 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.820 -8.249 -3.520 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.295 -7.881 -1.889 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.627 -5.406 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.763 -6.947 -0.253 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.871 -5.487 -0.742 1.00 0.00 H new ATOM 965 N VAL A 67 2.140 -6.581 -5.338 1.00 0.00 N ATOM 966 CA VAL A 67 3.336 -5.830 -5.857 1.00 0.00 C ATOM 967 C VAL A 67 3.320 -5.680 -7.389 1.00 0.00 C ATOM 968 O VAL A 67 2.641 -6.404 -8.094 1.00 0.00 O ATOM 969 CB VAL A 67 4.552 -6.676 -5.450 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.357 -8.130 -5.901 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.803 -6.114 -6.128 1.00 0.00 C ATOM 0 H VAL A 67 2.351 -7.491 -4.929 1.00 0.00 H new ATOM 0 HA VAL A 67 3.351 -4.820 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 67 4.661 -6.644 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.224 -8.721 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.463 -8.540 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.245 -8.163 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.670 -6.710 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.678 -6.150 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.954 -5.081 -5.814 1.00 0.00 H new ATOM 981 N GLY A 68 4.118 -4.763 -7.900 1.00 0.00 N ATOM 982 CA GLY A 68 4.224 -4.572 -9.376 1.00 0.00 C ATOM 983 C GLY A 68 3.792 -3.168 -9.798 1.00 0.00 C ATOM 984 O GLY A 68 4.031 -2.767 -10.923 1.00 0.00 O ATOM 0 H GLY A 68 4.702 -4.137 -7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.252 -4.747 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.604 -5.311 -9.884 1.00 0.00 H new ATOM 988 N HIS A 69 3.149 -2.416 -8.940 1.00 0.00 N ATOM 989 CA HIS A 69 2.709 -1.057 -9.351 1.00 0.00 C ATOM 990 C HIS A 69 3.282 0.007 -8.408 1.00 0.00 C ATOM 991 O HIS A 69 4.291 0.617 -8.697 1.00 0.00 O ATOM 992 CB HIS A 69 1.180 -1.107 -9.272 1.00 0.00 C ATOM 993 CG HIS A 69 0.651 -2.076 -10.300 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.872 -3.420 -10.497 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.233 -1.689 -11.295 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.138 -3.859 -11.594 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.509 -2.778 -12.038 1.00 0.00 N flip ATOM 0 H HIS A 69 2.914 -2.684 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 69 3.056 -0.790 -10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.867 -1.414 -8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.764 -0.114 -9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.628 -0.695 -11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 69 0.099 -4.859 -12.000 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.136 -2.777 -12.842 1.00 0.00 H new ATOM 1005 N LYS A 70 2.636 0.235 -7.293 1.00 0.00 N ATOM 1006 CA LYS A 70 3.122 1.262 -6.308 1.00 0.00 C ATOM 1007 C LYS A 70 2.163 1.359 -5.118 1.00 0.00 C ATOM 1008 O LYS A 70 2.555 1.650 -4.004 1.00 0.00 O ATOM 1009 CB LYS A 70 3.181 2.606 -7.056 1.00 0.00 C ATOM 1010 CG LYS A 70 1.980 2.747 -7.993 1.00 0.00 C ATOM 1011 CD LYS A 70 0.849 3.494 -7.282 1.00 0.00 C ATOM 1012 CE LYS A 70 0.047 4.310 -8.301 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.268 3.613 -8.413 1.00 0.00 N ATOM 0 H LYS A 70 1.782 -0.250 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 70 4.102 0.989 -5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.190 3.428 -6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.107 2.671 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.272 3.285 -8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.635 1.762 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.195 2.785 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.260 4.153 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.080 5.340 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.556 4.347 -9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.865 4.107 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.116 2.632 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.741 3.614 -7.487 1.00 0.00 H new ATOM 1027 N LEU A 71 0.911 1.110 -5.382 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.166 1.165 -4.333 1.00 0.00 C ATOM 1029 C LEU A 71 -1.566 0.968 -4.970 1.00 0.00 C ATOM 1030 O LEU A 71 -2.529 0.712 -4.272 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.065 2.559 -3.675 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.817 3.611 -4.503 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.202 3.853 -3.896 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.026 4.922 -4.496 1.00 0.00 C ATOM 0 H LEU A 71 0.571 0.862 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.035 0.370 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.478 2.521 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.982 2.846 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.928 3.253 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.732 4.600 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.768 2.921 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.093 4.210 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.558 5.671 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.083 5.275 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.960 4.754 -4.929 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.688 1.086 -6.282 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.017 0.909 -6.945 1.00 0.00 C ATOM 1048 C GLY A 72 -3.453 -0.560 -6.886 1.00 0.00 C ATOM 1049 O GLY A 72 -4.619 -0.869 -7.035 1.00 0.00 O ATOM 0 H GLY A 72 -0.918 1.298 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.762 1.536 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.959 1.236 -7.983 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.535 -1.465 -6.647 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.909 -2.911 -6.552 1.00 0.00 C ATOM 1055 C GLU A 73 -3.342 -3.227 -5.120 1.00 0.00 C ATOM 1056 O GLU A 73 -3.984 -4.225 -4.856 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.640 -3.685 -6.903 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.487 -3.756 -8.420 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.291 -5.213 -8.850 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.214 -5.740 -8.623 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.222 -5.776 -9.401 1.00 0.00 O ATOM 0 H GLU A 73 -1.544 -1.265 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.733 -3.172 -7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.771 -3.197 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.688 -4.690 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.370 -3.339 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.635 -3.155 -8.738 1.00 0.00 H new