USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=19 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 53 ASN : amide:sc= 0.312 K(o=0.31,f=-3.9!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= -0.451 F(o=-5.4,f=-2.9) USER MOD Set 2.2: A 47 HIS :FLIP no HE2:sc= -2.44! C(o=-4.4!,f=-2.9!) USER MOD Single : A 14 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.73) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.228) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= 0.757 (180deg=0.211) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0364) USER MOD Single : A 33 THR OG1 : rot -71:sc= 0.163 USER MOD Single : A 35 SER OG : rot 114:sc= 0.91 USER MOD Single : A 38 SER OG : rot 120:sc= -2.75 USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.22 USER MOD Single : A 44 MET CE :methyl -151:sc= -8.56! (180deg=-12.7!) USER MOD Single : A 48 THR OG1 : rot -62:sc= 0.45 USER MOD Single : A 52 TYR OH : rot -140:sc= -0.213 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.858 F(o=-2.2,f=-0.86) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -2.41 F(o=-3.2,f=-2.4) USER MOD Single : A 61 TYR OH : rot 0:sc= -0.0534 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -154:sc= -0.232 (180deg=-1.39) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -3.71! C(o=-6!,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -0.0175 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 24 N PHE A 10 9.522 4.456 -9.406 1.00 0.00 N ATOM 25 CA PHE A 10 10.751 4.096 -8.634 1.00 0.00 C ATOM 26 C PHE A 10 10.359 3.274 -7.399 1.00 0.00 C ATOM 27 O PHE A 10 9.338 3.511 -6.785 1.00 0.00 O ATOM 28 CB PHE A 10 11.387 5.453 -8.264 1.00 0.00 C ATOM 29 CG PHE A 10 11.783 5.509 -6.799 1.00 0.00 C ATOM 30 CD1 PHE A 10 10.848 5.912 -5.837 1.00 0.00 C ATOM 31 CD2 PHE A 10 13.088 5.177 -6.407 1.00 0.00 C ATOM 32 CE1 PHE A 10 11.213 5.981 -4.488 1.00 0.00 C ATOM 33 CE2 PHE A 10 13.453 5.250 -5.057 1.00 0.00 C ATOM 34 CZ PHE A 10 12.517 5.651 -4.098 1.00 0.00 C ATOM 0 HA PHE A 10 11.454 3.478 -9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.266 5.624 -8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.683 6.256 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.843 6.170 -6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 10 13.811 4.865 -7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.489 6.289 -3.748 1.00 0.00 H new ATOM 0 HE2 PHE A 10 14.459 4.996 -4.756 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.800 5.706 -3.057 1.00 0.00 H new ATOM 44 N VAL A 11 11.172 2.316 -7.032 1.00 0.00 N ATOM 45 CA VAL A 11 10.859 1.483 -5.835 1.00 0.00 C ATOM 46 C VAL A 11 11.709 1.967 -4.669 1.00 0.00 C ATOM 47 O VAL A 11 12.919 1.835 -4.688 1.00 0.00 O ATOM 48 CB VAL A 11 11.238 0.045 -6.220 1.00 0.00 C ATOM 49 CG1 VAL A 11 11.104 -0.871 -4.997 1.00 0.00 C ATOM 50 CG2 VAL A 11 10.307 -0.456 -7.329 1.00 0.00 C ATOM 0 H VAL A 11 12.040 2.076 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 11 9.812 1.545 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 11 12.269 0.032 -6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.374 -1.890 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.769 -0.522 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.074 -0.853 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.579 -1.476 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.276 -0.437 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.402 0.188 -8.203 1.00 0.00 H new ATOM 60 N ASP A 12 11.094 2.549 -3.667 1.00 0.00 N ATOM 61 CA ASP A 12 11.875 3.063 -2.505 1.00 0.00 C ATOM 62 C ASP A 12 12.929 2.046 -2.054 1.00 0.00 C ATOM 63 O ASP A 12 12.618 1.039 -1.447 1.00 0.00 O ATOM 64 CB ASP A 12 10.849 3.309 -1.394 1.00 0.00 C ATOM 65 CG ASP A 12 11.524 4.021 -0.217 1.00 0.00 C ATOM 66 OD1 ASP A 12 12.073 5.091 -0.428 1.00 0.00 O ATOM 67 OD2 ASP A 12 11.477 3.487 0.878 1.00 0.00 O ATOM 0 H ASP A 12 10.085 2.689 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 12 12.417 3.973 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.025 3.914 -1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.423 2.362 -1.063 1.00 0.00 H new ATOM 72 N ASP A 13 14.179 2.321 -2.343 1.00 0.00 N ATOM 73 CA ASP A 13 15.269 1.402 -1.931 1.00 0.00 C ATOM 74 C ASP A 13 15.390 1.425 -0.408 1.00 0.00 C ATOM 75 O ASP A 13 15.856 0.482 0.204 1.00 0.00 O ATOM 76 CB ASP A 13 16.535 1.958 -2.590 1.00 0.00 C ATOM 77 CG ASP A 13 17.601 0.861 -2.660 1.00 0.00 C ATOM 78 OD1 ASP A 13 17.606 0.129 -3.636 1.00 0.00 O ATOM 79 OD2 ASP A 13 18.392 0.772 -1.735 1.00 0.00 O ATOM 0 H ASP A 13 14.485 3.151 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 13 15.092 0.369 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.306 2.321 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.910 2.808 -2.021 1.00 0.00 H new ATOM 84 N HIS A 14 14.951 2.501 0.203 1.00 0.00 N ATOM 85 CA HIS A 14 15.008 2.607 1.684 1.00 0.00 C ATOM 86 C HIS A 14 14.064 1.575 2.319 1.00 0.00 C ATOM 87 O HIS A 14 14.274 1.138 3.434 1.00 0.00 O ATOM 88 CB HIS A 14 14.548 4.035 1.993 1.00 0.00 C ATOM 89 CG HIS A 14 14.954 4.409 3.393 1.00 0.00 C ATOM 90 ND1 HIS A 14 14.314 3.896 4.510 1.00 0.00 N ATOM 91 CD2 HIS A 14 15.935 5.241 3.871 1.00 0.00 C ATOM 92 CE1 HIS A 14 14.913 4.418 5.596 1.00 0.00 C ATOM 93 NE2 HIS A 14 15.908 5.245 5.263 1.00 0.00 N ATOM 0 H HIS A 14 14.554 3.312 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 14 16.003 2.410 2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.988 4.731 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.466 4.110 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.623 5.807 3.260 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.625 4.196 6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.517 5.767 5.893 1.00 0.00 H new ATOM 101 N LEU A 15 13.042 1.170 1.604 1.00 0.00 N ATOM 102 CA LEU A 15 12.096 0.152 2.142 1.00 0.00 C ATOM 103 C LEU A 15 12.731 -1.231 1.976 1.00 0.00 C ATOM 104 O LEU A 15 12.627 -2.081 2.838 1.00 0.00 O ATOM 105 CB LEU A 15 10.806 0.334 1.311 1.00 0.00 C ATOM 106 CG LEU A 15 10.613 -0.795 0.287 1.00 0.00 C ATOM 107 CD1 LEU A 15 9.943 -1.993 0.961 1.00 0.00 C ATOM 108 CD2 LEU A 15 9.718 -0.294 -0.851 1.00 0.00 C ATOM 0 H LEU A 15 12.824 1.505 0.666 1.00 0.00 H new ATOM 0 HA LEU A 15 11.870 0.260 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.946 0.367 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.842 1.292 0.791 1.00 0.00 H new ATOM 0 HG LEU A 15 11.583 -1.096 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.808 -2.792 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.571 -2.349 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.972 -1.693 1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.577 -1.091 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.750 0.004 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.189 0.562 -1.334 1.00 0.00 H new ATOM 120 N LEU A 16 13.414 -1.442 0.876 1.00 0.00 N ATOM 121 CA LEU A 16 14.089 -2.748 0.642 1.00 0.00 C ATOM 122 C LEU A 16 15.153 -2.982 1.710 1.00 0.00 C ATOM 123 O LEU A 16 15.284 -4.069 2.234 1.00 0.00 O ATOM 124 CB LEU A 16 14.744 -2.631 -0.732 1.00 0.00 C ATOM 125 CG LEU A 16 13.761 -3.134 -1.774 1.00 0.00 C ATOM 126 CD1 LEU A 16 12.759 -2.028 -2.084 1.00 0.00 C ATOM 127 CD2 LEU A 16 14.512 -3.530 -3.046 1.00 0.00 C ATOM 0 H LEU A 16 13.531 -0.758 0.128 1.00 0.00 H new ATOM 0 HA LEU A 16 13.388 -3.582 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.016 -1.595 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.664 -3.215 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 16 13.234 -4.008 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.048 -2.380 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.224 -1.757 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.287 -1.155 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.802 -3.890 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.043 -2.663 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.228 -4.319 -2.815 1.00 0.00 H new ATOM 139 N GLU A 17 15.907 -1.958 2.040 1.00 0.00 N ATOM 140 CA GLU A 17 16.966 -2.107 3.089 1.00 0.00 C ATOM 141 C GLU A 17 16.366 -2.726 4.363 1.00 0.00 C ATOM 142 O GLU A 17 17.034 -3.436 5.090 1.00 0.00 O ATOM 143 CB GLU A 17 17.494 -0.682 3.338 1.00 0.00 C ATOM 144 CG GLU A 17 16.953 -0.128 4.661 1.00 0.00 C ATOM 145 CD GLU A 17 17.506 1.280 4.896 1.00 0.00 C ATOM 146 OE1 GLU A 17 17.015 2.201 4.266 1.00 0.00 O ATOM 147 OE2 GLU A 17 18.410 1.413 5.704 1.00 0.00 O ATOM 0 H GLU A 17 15.834 -1.028 1.628 1.00 0.00 H new ATOM 0 HA GLU A 17 17.772 -2.772 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.584 -0.691 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.197 -0.030 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.864 -0.102 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 17 17.238 -0.783 5.484 1.00 0.00 H new ATOM 154 N LYS A 18 15.108 -2.467 4.627 1.00 0.00 N ATOM 155 CA LYS A 18 14.454 -3.042 5.841 1.00 0.00 C ATOM 156 C LYS A 18 13.782 -4.384 5.509 1.00 0.00 C ATOM 157 O LYS A 18 13.642 -5.236 6.365 1.00 0.00 O ATOM 158 CB LYS A 18 13.407 -2.005 6.257 1.00 0.00 C ATOM 159 CG LYS A 18 14.087 -0.856 7.011 1.00 0.00 C ATOM 160 CD LYS A 18 13.714 0.480 6.358 1.00 0.00 C ATOM 161 CE LYS A 18 13.024 1.383 7.388 1.00 0.00 C ATOM 162 NZ LYS A 18 11.723 1.766 6.766 1.00 0.00 N ATOM 0 H LYS A 18 14.505 -1.880 4.051 1.00 0.00 H new ATOM 0 HA LYS A 18 15.172 -3.241 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.892 -1.620 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.651 -2.471 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.778 -0.860 8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.169 -0.989 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.608 0.969 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.052 0.309 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.870 0.858 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.629 2.263 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.314 2.570 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.879 2.036 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.068 0.959 6.806 1.00 0.00 H new ATOM 176 N VAL A 19 13.360 -4.580 4.278 1.00 0.00 N ATOM 177 CA VAL A 19 12.691 -5.870 3.909 1.00 0.00 C ATOM 178 C VAL A 19 13.705 -7.013 3.819 1.00 0.00 C ATOM 179 O VAL A 19 13.438 -8.111 4.267 1.00 0.00 O ATOM 180 CB VAL A 19 12.053 -5.638 2.543 1.00 0.00 C ATOM 181 CG1 VAL A 19 11.442 -6.955 2.060 1.00 0.00 C ATOM 182 CG2 VAL A 19 10.961 -4.577 2.666 1.00 0.00 C ATOM 0 H VAL A 19 13.450 -3.905 3.518 1.00 0.00 H new ATOM 0 HA VAL A 19 11.956 -6.153 4.663 1.00 0.00 H new ATOM 0 HB VAL A 19 12.803 -5.295 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 19 10.981 -6.806 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.223 -7.711 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.686 -7.288 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.504 -4.410 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.201 -4.917 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.398 -3.646 3.026 1.00 0.00 H new ATOM 192 N LEU A 20 14.872 -6.764 3.273 1.00 0.00 N ATOM 193 CA LEU A 20 15.903 -7.851 3.197 1.00 0.00 C ATOM 194 C LEU A 20 16.208 -8.257 4.624 1.00 0.00 C ATOM 195 O LEU A 20 16.414 -9.413 4.939 1.00 0.00 O ATOM 196 CB LEU A 20 17.153 -7.240 2.548 1.00 0.00 C ATOM 197 CG LEU A 20 16.770 -6.470 1.287 1.00 0.00 C ATOM 198 CD1 LEU A 20 17.881 -5.478 0.939 1.00 0.00 C ATOM 199 CD2 LEU A 20 16.567 -7.446 0.125 1.00 0.00 C ATOM 0 H LEU A 20 15.154 -5.866 2.880 1.00 0.00 H new ATOM 0 HA LEU A 20 15.571 -8.715 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.649 -6.573 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.865 -8.028 2.300 1.00 0.00 H new ATOM 0 HG LEU A 20 15.841 -5.927 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.608 -4.928 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.016 -4.779 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.811 -6.019 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.294 -6.891 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.491 -7.995 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 20 15.771 -8.148 0.374 1.00 0.00 H new ATOM 211 N GLU A 21 16.204 -7.280 5.489 1.00 0.00 N ATOM 212 CA GLU A 21 16.456 -7.540 6.928 1.00 0.00 C ATOM 213 C GLU A 21 15.327 -8.398 7.513 1.00 0.00 C ATOM 214 O GLU A 21 15.561 -9.251 8.348 1.00 0.00 O ATOM 215 CB GLU A 21 16.476 -6.162 7.591 1.00 0.00 C ATOM 216 CG GLU A 21 17.882 -5.867 8.118 1.00 0.00 C ATOM 217 CD GLU A 21 18.669 -5.071 7.074 1.00 0.00 C ATOM 218 OE1 GLU A 21 19.034 -5.652 6.064 1.00 0.00 O ATOM 219 OE2 GLU A 21 18.893 -3.893 7.301 1.00 0.00 O ATOM 0 H GLU A 21 16.034 -6.302 5.253 1.00 0.00 H new ATOM 0 HA GLU A 21 17.389 -8.080 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.178 -5.398 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.756 -6.130 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.821 -5.303 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.399 -6.800 8.344 1.00 0.00 H new ATOM 226 N LEU A 22 14.102 -8.191 7.071 1.00 0.00 N ATOM 227 CA LEU A 22 12.970 -9.013 7.597 1.00 0.00 C ATOM 228 C LEU A 22 12.986 -10.396 6.936 1.00 0.00 C ATOM 229 O LEU A 22 12.537 -11.370 7.508 1.00 0.00 O ATOM 230 CB LEU A 22 11.695 -8.246 7.226 1.00 0.00 C ATOM 231 CG LEU A 22 11.184 -7.448 8.434 1.00 0.00 C ATOM 232 CD1 LEU A 22 10.708 -8.410 9.526 1.00 0.00 C ATOM 233 CD2 LEU A 22 12.305 -6.563 8.991 1.00 0.00 C ATOM 0 H LEU A 22 13.845 -7.492 6.374 1.00 0.00 H new ATOM 0 HA LEU A 22 13.037 -9.168 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.897 -7.571 6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.927 -8.943 6.891 1.00 0.00 H new ATOM 0 HG LEU A 22 10.353 -6.819 8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.346 -7.839 10.381 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.901 -9.031 9.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.537 -9.045 9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.933 -6.001 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.141 -7.188 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.639 -5.870 8.219 1.00 0.00 H new ATOM 245 N ASN A 23 13.528 -10.487 5.744 1.00 0.00 N ATOM 246 CA ASN A 23 13.608 -11.808 5.051 1.00 0.00 C ATOM 247 C ASN A 23 14.823 -12.592 5.567 1.00 0.00 C ATOM 248 O ASN A 23 14.953 -13.777 5.323 1.00 0.00 O ATOM 249 CB ASN A 23 13.776 -11.477 3.565 1.00 0.00 C ATOM 250 CG ASN A 23 12.403 -11.246 2.929 1.00 0.00 C ATOM 251 OD1 ASN A 23 12.069 -10.046 2.546 1.00 0.00 O flip ATOM 252 ND2 ASN A 23 11.626 -12.168 2.781 1.00 0.00 N flip ATOM 0 H ASN A 23 13.918 -9.702 5.223 1.00 0.00 H new ATOM 0 HA ASN A 23 12.725 -12.422 5.228 1.00 0.00 H new ATOM 0 HB2 ASN A 23 14.396 -10.588 3.448 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.290 -12.293 3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.887 -13.108 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.713 -12.003 2.357 1.00 0.00 H new ATOM 259 N ALA A 24 15.707 -11.940 6.290 1.00 0.00 N ATOM 260 CA ALA A 24 16.900 -12.631 6.834 1.00 0.00 C ATOM 261 C ALA A 24 16.526 -13.353 8.127 1.00 0.00 C ATOM 262 O ALA A 24 17.030 -14.421 8.421 1.00 0.00 O ATOM 263 CB ALA A 24 17.908 -11.520 7.118 1.00 0.00 C ATOM 0 H ALA A 24 15.643 -10.949 6.523 1.00 0.00 H new ATOM 0 HA ALA A 24 17.302 -13.376 6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 24 18.822 -11.953 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 24 18.137 -10.992 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.485 -10.821 7.840 1.00 0.00 H new ATOM 269 N LYS A 25 15.630 -12.778 8.893 1.00 0.00 N ATOM 270 CA LYS A 25 15.201 -13.425 10.163 1.00 0.00 C ATOM 271 C LYS A 25 13.956 -14.282 9.914 1.00 0.00 C ATOM 272 O LYS A 25 13.590 -15.111 10.726 1.00 0.00 O ATOM 273 CB LYS A 25 14.871 -12.270 11.118 1.00 0.00 C ATOM 274 CG LYS A 25 16.025 -11.258 11.159 1.00 0.00 C ATOM 275 CD LYS A 25 17.354 -11.982 11.399 1.00 0.00 C ATOM 276 CE LYS A 25 18.494 -11.183 10.762 1.00 0.00 C ATOM 277 NZ LYS A 25 19.483 -12.204 10.311 1.00 0.00 N ATOM 0 H LYS A 25 15.179 -11.886 8.689 1.00 0.00 H new ATOM 0 HA LYS A 25 15.971 -14.079 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.956 -11.774 10.795 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.686 -12.660 12.119 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.068 -10.705 10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.851 -10.529 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.530 -12.097 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.316 -12.985 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.135 -10.585 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.939 -10.493 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.293 -11.729 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.813 -12.753 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.034 -12.843 9.624 1.00 0.00 H new ATOM 291 N GLY A 26 13.299 -14.074 8.799 1.00 0.00 N ATOM 292 CA GLY A 26 12.068 -14.854 8.489 1.00 0.00 C ATOM 293 C GLY A 26 10.876 -14.200 9.190 1.00 0.00 C ATOM 294 O GLY A 26 9.919 -14.862 9.546 1.00 0.00 O ATOM 0 H GLY A 26 13.567 -13.393 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.902 -14.884 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.182 -15.886 8.822 1.00 0.00 H new ATOM 298 N GLU A 27 10.933 -12.904 9.397 1.00 0.00 N ATOM 299 CA GLU A 27 9.808 -12.205 10.084 1.00 0.00 C ATOM 300 C GLU A 27 8.993 -11.377 9.084 1.00 0.00 C ATOM 301 O GLU A 27 9.517 -10.873 8.107 1.00 0.00 O ATOM 302 CB GLU A 27 10.477 -11.295 11.118 1.00 0.00 C ATOM 303 CG GLU A 27 10.815 -12.104 12.371 1.00 0.00 C ATOM 304 CD GLU A 27 11.576 -11.218 13.362 1.00 0.00 C ATOM 305 OE1 GLU A 27 10.928 -10.568 14.166 1.00 0.00 O ATOM 306 OE2 GLU A 27 12.794 -11.203 13.299 1.00 0.00 O ATOM 0 H GLU A 27 11.710 -12.305 9.119 1.00 0.00 H new ATOM 0 HA GLU A 27 9.113 -12.907 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.384 -10.857 10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.813 -10.469 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.901 -12.481 12.831 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.419 -12.972 12.105 1.00 0.00 H new ATOM 313 N LYS A 28 7.713 -11.234 9.327 1.00 0.00 N ATOM 314 CA LYS A 28 6.847 -10.443 8.406 1.00 0.00 C ATOM 315 C LYS A 28 6.345 -9.177 9.116 1.00 0.00 C ATOM 316 O LYS A 28 5.313 -9.184 9.761 1.00 0.00 O ATOM 317 CB LYS A 28 5.681 -11.378 8.074 1.00 0.00 C ATOM 318 CG LYS A 28 6.132 -12.415 7.041 1.00 0.00 C ATOM 319 CD LYS A 28 5.589 -13.795 7.426 1.00 0.00 C ATOM 320 CE LYS A 28 6.466 -14.409 8.525 1.00 0.00 C ATOM 321 NZ LYS A 28 7.550 -15.135 7.802 1.00 0.00 N ATOM 0 H LYS A 28 7.230 -11.635 10.131 1.00 0.00 H new ATOM 0 HA LYS A 28 7.374 -10.114 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.334 -11.878 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.841 -10.804 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.774 -12.136 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.220 -12.443 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.560 -13.707 7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.574 -14.447 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.876 -13.638 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.890 -15.087 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.427 -15.095 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.272 -16.128 7.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.708 -14.690 6.876 1.00 0.00 H new ATOM 335 N ARG A 29 7.074 -8.093 9.003 1.00 0.00 N ATOM 336 CA ARG A 29 6.649 -6.824 9.671 1.00 0.00 C ATOM 337 C ARG A 29 6.287 -5.767 8.623 1.00 0.00 C ATOM 338 O ARG A 29 5.980 -6.082 7.489 1.00 0.00 O ATOM 339 CB ARG A 29 7.866 -6.378 10.489 1.00 0.00 C ATOM 340 CG ARG A 29 7.406 -5.864 11.856 1.00 0.00 C ATOM 341 CD ARG A 29 8.439 -4.879 12.406 1.00 0.00 C ATOM 342 NE ARG A 29 7.833 -4.349 13.660 1.00 0.00 N ATOM 343 CZ ARG A 29 7.374 -3.126 13.699 1.00 0.00 C ATOM 344 NH1 ARG A 29 8.159 -2.146 14.064 1.00 0.00 N ATOM 345 NH2 ARG A 29 6.131 -2.884 13.372 1.00 0.00 N ATOM 0 H ARG A 29 7.946 -8.033 8.476 1.00 0.00 H new ATOM 0 HA ARG A 29 5.767 -6.963 10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.557 -7.212 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.407 -5.595 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.435 -5.376 11.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.280 -6.698 12.546 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.390 -5.374 12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.639 -4.078 11.694 1.00 0.00 H new ATOM 0 HE ARG A 29 7.776 -4.941 14.489 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.128 -2.337 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.802 -1.191 14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.520 -3.650 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.772 -1.930 13.402 1.00 0.00 H new ATOM 359 N LEU A 30 6.320 -4.515 9.001 1.00 0.00 N ATOM 360 CA LEU A 30 5.977 -3.429 8.038 1.00 0.00 C ATOM 361 C LEU A 30 7.199 -2.532 7.790 1.00 0.00 C ATOM 362 O LEU A 30 8.026 -2.334 8.663 1.00 0.00 O ATOM 363 CB LEU A 30 4.818 -2.659 8.712 1.00 0.00 C ATOM 364 CG LEU A 30 5.235 -1.225 9.077 1.00 0.00 C ATOM 365 CD1 LEU A 30 4.028 -0.291 8.958 1.00 0.00 C ATOM 366 CD2 LEU A 30 5.760 -1.203 10.516 1.00 0.00 C ATOM 0 H LEU A 30 6.571 -4.198 9.938 1.00 0.00 H new ATOM 0 HA LEU A 30 5.683 -3.806 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.959 -2.630 8.041 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.502 -3.188 9.611 1.00 0.00 H new ATOM 0 HG LEU A 30 6.017 -0.889 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.327 0.725 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.654 -0.309 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.243 -0.623 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.057 -0.188 10.779 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.976 -1.539 11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.621 -1.866 10.599 1.00 0.00 H new ATOM 378 N ILE A 31 7.308 -1.986 6.606 1.00 0.00 N ATOM 379 CA ILE A 31 8.459 -1.091 6.282 1.00 0.00 C ATOM 380 C ILE A 31 7.935 0.284 5.855 1.00 0.00 C ATOM 381 O ILE A 31 7.212 0.409 4.884 1.00 0.00 O ATOM 382 CB ILE A 31 9.194 -1.781 5.130 1.00 0.00 C ATOM 383 CG1 ILE A 31 9.694 -3.154 5.597 1.00 0.00 C ATOM 384 CG2 ILE A 31 10.387 -0.925 4.697 1.00 0.00 C ATOM 385 CD1 ILE A 31 8.842 -4.256 4.964 1.00 0.00 C ATOM 0 H ILE A 31 6.644 -2.123 5.844 1.00 0.00 H new ATOM 0 HA ILE A 31 9.120 -0.931 7.134 1.00 0.00 H new ATOM 0 HB ILE A 31 8.514 -1.906 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.740 -3.285 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 31 9.642 -3.220 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.909 -1.417 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.033 0.052 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 31 11.069 -0.799 5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.200 -5.230 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.802 -4.129 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.916 -4.195 3.878 1.00 0.00 H new ATOM 397 N LYS A 32 8.284 1.313 6.583 1.00 0.00 N ATOM 398 CA LYS A 32 7.796 2.687 6.239 1.00 0.00 C ATOM 399 C LYS A 32 8.607 3.286 5.078 1.00 0.00 C ATOM 400 O LYS A 32 9.758 2.952 4.871 1.00 0.00 O ATOM 401 CB LYS A 32 7.997 3.516 7.514 1.00 0.00 C ATOM 402 CG LYS A 32 7.272 2.866 8.702 1.00 0.00 C ATOM 403 CD LYS A 32 5.792 2.660 8.367 1.00 0.00 C ATOM 404 CE LYS A 32 5.112 4.020 8.160 1.00 0.00 C ATOM 405 NZ LYS A 32 3.695 3.819 8.582 1.00 0.00 N ATOM 0 H LYS A 32 8.888 1.263 7.404 1.00 0.00 H new ATOM 0 HA LYS A 32 6.755 2.673 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.061 3.603 7.734 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.620 4.527 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.735 1.909 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.368 3.496 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.694 2.054 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.300 2.116 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.594 4.795 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.171 4.335 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.128 4.642 8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.316 2.963 8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.653 3.711 9.615 1.00 0.00 H new ATOM 419 N THR A 33 8.003 4.177 4.325 1.00 0.00 N ATOM 420 CA THR A 33 8.718 4.819 3.173 1.00 0.00 C ATOM 421 C THR A 33 8.363 6.313 3.108 1.00 0.00 C ATOM 422 O THR A 33 7.308 6.719 3.556 1.00 0.00 O ATOM 423 CB THR A 33 8.200 4.082 1.932 1.00 0.00 C ATOM 424 OG1 THR A 33 8.679 2.744 1.941 1.00 0.00 O ATOM 425 CG2 THR A 33 8.689 4.789 0.668 1.00 0.00 C ATOM 0 H THR A 33 7.041 4.489 4.460 1.00 0.00 H new ATOM 0 HA THR A 33 9.803 4.753 3.260 1.00 0.00 H new ATOM 0 HB THR A 33 7.110 4.080 1.944 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.642 2.740 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.318 4.261 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.319 5.814 0.658 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.779 4.796 0.654 1.00 0.00 H new ATOM 433 N TRP A 34 9.238 7.138 2.564 1.00 0.00 N ATOM 434 CA TRP A 34 8.939 8.610 2.487 1.00 0.00 C ATOM 435 C TRP A 34 9.513 9.238 1.206 1.00 0.00 C ATOM 436 O TRP A 34 9.969 10.368 1.219 1.00 0.00 O ATOM 437 CB TRP A 34 9.626 9.238 3.707 1.00 0.00 C ATOM 438 CG TRP A 34 9.260 8.504 4.956 1.00 0.00 C ATOM 439 CD1 TRP A 34 8.181 8.763 5.722 1.00 0.00 C ATOM 440 CD2 TRP A 34 9.961 7.400 5.591 1.00 0.00 C ATOM 441 NE1 TRP A 34 8.179 7.892 6.798 1.00 0.00 N ATOM 442 CE2 TRP A 34 9.260 7.033 6.759 1.00 0.00 C ATOM 443 CE3 TRP A 34 11.131 6.694 5.265 1.00 0.00 C ATOM 444 CZ2 TRP A 34 9.704 5.997 7.582 1.00 0.00 C ATOM 445 CZ3 TRP A 34 11.582 5.651 6.088 1.00 0.00 C ATOM 446 CH2 TRP A 34 10.871 5.304 7.245 1.00 0.00 C ATOM 0 H TRP A 34 10.138 6.857 2.174 1.00 0.00 H new ATOM 0 HA TRP A 34 7.862 8.780 2.473 1.00 0.00 H new ATOM 0 HB2 TRP A 34 10.707 9.218 3.572 1.00 0.00 H new ATOM 0 HB3 TRP A 34 9.335 10.285 3.796 1.00 0.00 H new ATOM 0 HD1 TRP A 34 7.440 9.525 5.528 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.468 7.885 7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.686 6.955 4.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 9.151 5.733 8.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.482 5.113 5.829 1.00 0.00 H new ATOM 0 HH2 TRP A 34 11.224 4.502 7.876 1.00 0.00 H new ATOM 457 N SER A 35 9.498 8.534 0.101 1.00 0.00 N ATOM 458 CA SER A 35 10.051 9.126 -1.160 1.00 0.00 C ATOM 459 C SER A 35 8.965 9.936 -1.893 1.00 0.00 C ATOM 460 O SER A 35 8.738 11.090 -1.578 1.00 0.00 O ATOM 461 CB SER A 35 10.526 7.933 -1.994 1.00 0.00 C ATOM 462 OG SER A 35 11.882 7.649 -1.674 1.00 0.00 O ATOM 0 H SER A 35 9.132 7.586 0.016 1.00 0.00 H new ATOM 0 HA SER A 35 10.869 9.820 -0.968 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.902 7.062 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.430 8.155 -3.057 1.00 0.00 H new ATOM 0 HG SER A 35 11.938 6.777 -1.231 1.00 0.00 H new ATOM 468 N ARG A 36 8.291 9.348 -2.857 1.00 0.00 N ATOM 469 CA ARG A 36 7.217 10.082 -3.603 1.00 0.00 C ATOM 470 C ARG A 36 6.506 9.116 -4.556 1.00 0.00 C ATOM 471 O ARG A 36 5.330 8.843 -4.410 1.00 0.00 O ATOM 472 CB ARG A 36 7.937 11.189 -4.386 1.00 0.00 C ATOM 473 CG ARG A 36 7.004 12.394 -4.545 1.00 0.00 C ATOM 474 CD ARG A 36 6.914 13.155 -3.218 1.00 0.00 C ATOM 475 NE ARG A 36 5.688 13.995 -3.336 1.00 0.00 N ATOM 476 CZ ARG A 36 5.726 15.257 -3.004 1.00 0.00 C ATOM 477 NH1 ARG A 36 5.919 16.168 -3.922 1.00 0.00 N ATOM 478 NH2 ARG A 36 5.570 15.611 -1.754 1.00 0.00 N ATOM 0 H ARG A 36 8.441 8.386 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 36 6.461 10.500 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.846 11.486 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.239 10.818 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.376 13.053 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.013 12.061 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.842 12.469 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.799 13.770 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 36 4.819 13.583 -3.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.040 15.892 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.949 17.154 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.419 14.901 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.600 16.597 -1.496 1.00 0.00 H new ATOM 492 N ARG A 37 7.222 8.580 -5.516 1.00 0.00 N ATOM 493 CA ARG A 37 6.604 7.606 -6.470 1.00 0.00 C ATOM 494 C ARG A 37 7.020 6.178 -6.076 1.00 0.00 C ATOM 495 O ARG A 37 7.259 5.331 -6.918 1.00 0.00 O ATOM 496 CB ARG A 37 7.146 7.986 -7.857 1.00 0.00 C ATOM 497 CG ARG A 37 8.667 7.793 -7.908 1.00 0.00 C ATOM 498 CD ARG A 37 9.333 9.071 -8.429 1.00 0.00 C ATOM 499 NE ARG A 37 9.307 8.946 -9.913 1.00 0.00 N ATOM 500 CZ ARG A 37 10.414 8.723 -10.573 1.00 0.00 C ATOM 501 NH1 ARG A 37 10.779 7.498 -10.842 1.00 0.00 N ATOM 502 NH2 ARG A 37 11.155 9.729 -10.962 1.00 0.00 N ATOM 0 H ARG A 37 8.210 8.776 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 37 5.515 7.638 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.669 7.372 -8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.897 9.023 -8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.046 7.553 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.915 6.952 -8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.794 9.959 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.354 9.162 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 37 8.424 9.035 -10.416 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.201 6.715 -10.537 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.642 7.324 -11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.869 10.685 -10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.019 9.557 -11.477 1.00 0.00 H new ATOM 516 N SER A 38 7.113 5.926 -4.789 1.00 0.00 N ATOM 517 CA SER A 38 7.517 4.583 -4.275 1.00 0.00 C ATOM 518 C SER A 38 6.731 3.453 -4.955 1.00 0.00 C ATOM 519 O SER A 38 5.562 3.588 -5.264 1.00 0.00 O ATOM 520 CB SER A 38 7.196 4.640 -2.780 1.00 0.00 C ATOM 521 OG SER A 38 8.260 5.294 -2.102 1.00 0.00 O ATOM 0 H SER A 38 6.920 6.614 -4.061 1.00 0.00 H new ATOM 0 HA SER A 38 8.567 4.371 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.260 5.175 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.061 3.633 -2.385 1.00 0.00 H new ATOM 0 HG SER A 38 7.918 6.094 -1.651 1.00 0.00 H new ATOM 527 N THR A 39 7.380 2.338 -5.176 1.00 0.00 N ATOM 528 CA THR A 39 6.705 1.172 -5.824 1.00 0.00 C ATOM 529 C THR A 39 7.031 -0.109 -5.049 1.00 0.00 C ATOM 530 O THR A 39 7.983 -0.165 -4.293 1.00 0.00 O ATOM 531 CB THR A 39 7.268 1.100 -7.250 1.00 0.00 C ATOM 532 OG1 THR A 39 6.882 2.264 -7.969 1.00 0.00 O ATOM 533 CG2 THR A 39 6.721 -0.146 -7.963 1.00 0.00 C ATOM 0 H THR A 39 8.359 2.184 -4.933 1.00 0.00 H new ATOM 0 HA THR A 39 5.620 1.280 -5.835 1.00 0.00 H new ATOM 0 HB THR A 39 8.355 1.040 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.522 2.985 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.124 -0.192 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.017 -1.039 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.633 -0.092 -8.008 1.00 0.00 H new ATOM 541 N ILE A 40 6.234 -1.127 -5.222 1.00 0.00 N ATOM 542 CA ILE A 40 6.471 -2.410 -4.481 1.00 0.00 C ATOM 543 C ILE A 40 7.514 -3.296 -5.188 1.00 0.00 C ATOM 544 O ILE A 40 7.828 -3.105 -6.348 1.00 0.00 O ATOM 545 CB ILE A 40 5.116 -3.120 -4.475 1.00 0.00 C ATOM 546 CG1 ILE A 40 3.988 -2.120 -4.214 1.00 0.00 C ATOM 547 CG2 ILE A 40 5.105 -4.177 -3.383 1.00 0.00 C ATOM 548 CD1 ILE A 40 3.124 -2.012 -5.467 1.00 0.00 C ATOM 0 H ILE A 40 5.426 -1.131 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 40 6.858 -2.216 -3.481 1.00 0.00 H new ATOM 0 HB ILE A 40 4.961 -3.585 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.384 -2.445 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.401 -1.145 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.140 -4.684 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.896 -4.903 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.271 -3.703 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.316 -1.301 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.735 -1.668 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.703 -2.989 -5.704 1.00 0.00 H new ATOM 560 N VAL A 41 8.025 -4.285 -4.485 1.00 0.00 N ATOM 561 CA VAL A 41 9.026 -5.231 -5.085 1.00 0.00 C ATOM 562 C VAL A 41 8.646 -6.669 -4.728 1.00 0.00 C ATOM 563 O VAL A 41 7.717 -6.901 -3.976 1.00 0.00 O ATOM 564 CB VAL A 41 10.409 -4.893 -4.493 1.00 0.00 C ATOM 565 CG1 VAL A 41 11.336 -4.416 -5.615 1.00 0.00 C ATOM 566 CG2 VAL A 41 10.312 -3.788 -3.433 1.00 0.00 C ATOM 0 H VAL A 41 7.788 -4.478 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 41 9.045 -5.134 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 41 10.802 -5.793 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.315 -4.176 -5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.441 -5.204 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.913 -3.528 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.305 -3.575 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.901 -2.885 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.661 -4.117 -2.623 1.00 0.00 H new ATOM 576 N PRO A 42 9.377 -7.593 -5.293 1.00 0.00 N ATOM 577 CA PRO A 42 9.109 -9.032 -5.050 1.00 0.00 C ATOM 578 C PRO A 42 9.447 -9.433 -3.610 1.00 0.00 C ATOM 579 O PRO A 42 8.779 -10.262 -3.025 1.00 0.00 O ATOM 580 CB PRO A 42 10.023 -9.726 -6.048 1.00 0.00 C ATOM 581 CG PRO A 42 11.122 -8.758 -6.317 1.00 0.00 C ATOM 582 CD PRO A 42 10.516 -7.392 -6.201 1.00 0.00 C ATOM 0 HA PRO A 42 8.059 -9.296 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.412 -10.659 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.487 -9.976 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.935 -8.885 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.543 -8.914 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.227 -6.671 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.193 -7.013 -7.171 1.00 0.00 H new ATOM 590 N GLU A 43 10.463 -8.846 -3.033 1.00 0.00 N ATOM 591 CA GLU A 43 10.833 -9.184 -1.624 1.00 0.00 C ATOM 592 C GLU A 43 9.756 -8.686 -0.643 1.00 0.00 C ATOM 593 O GLU A 43 9.819 -8.961 0.541 1.00 0.00 O ATOM 594 CB GLU A 43 12.156 -8.455 -1.369 1.00 0.00 C ATOM 595 CG GLU A 43 13.327 -9.343 -1.796 1.00 0.00 C ATOM 596 CD GLU A 43 14.062 -8.693 -2.970 1.00 0.00 C ATOM 597 OE1 GLU A 43 14.895 -7.836 -2.723 1.00 0.00 O ATOM 598 OE2 GLU A 43 13.777 -9.061 -4.099 1.00 0.00 O ATOM 0 H GLU A 43 11.055 -8.144 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 43 10.921 -10.261 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.178 -7.517 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.245 -8.203 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.011 -9.487 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.963 -10.329 -2.083 1.00 0.00 H new ATOM 605 N MET A 44 8.779 -7.952 -1.123 1.00 0.00 N ATOM 606 CA MET A 44 7.706 -7.423 -0.222 1.00 0.00 C ATOM 607 C MET A 44 6.568 -8.440 -0.037 1.00 0.00 C ATOM 608 O MET A 44 5.667 -8.218 0.747 1.00 0.00 O ATOM 609 CB MET A 44 7.187 -6.168 -0.926 1.00 0.00 C ATOM 610 CG MET A 44 8.355 -5.238 -1.271 1.00 0.00 C ATOM 611 SD MET A 44 9.582 -5.263 0.060 1.00 0.00 S ATOM 612 CE MET A 44 11.053 -5.458 -0.974 1.00 0.00 C ATOM 0 H MET A 44 8.679 -7.696 -2.105 1.00 0.00 H new ATOM 0 HA MET A 44 8.091 -7.217 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.652 -6.446 -1.834 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.476 -5.649 -0.284 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.816 -5.552 -2.207 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.990 -4.222 -1.421 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.822 -5.992 -0.416 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.796 -6.024 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.429 -4.476 -1.261 1.00 0.00 H new ATOM 622 N VAL A 45 6.595 -9.543 -0.752 1.00 0.00 N ATOM 623 CA VAL A 45 5.513 -10.589 -0.651 1.00 0.00 C ATOM 624 C VAL A 45 5.200 -11.055 0.803 1.00 0.00 C ATOM 625 O VAL A 45 4.356 -11.910 0.999 1.00 0.00 O ATOM 626 CB VAL A 45 6.048 -11.759 -1.498 1.00 0.00 C ATOM 627 CG1 VAL A 45 7.439 -12.176 -1.001 1.00 0.00 C ATOM 628 CG2 VAL A 45 5.097 -12.957 -1.404 1.00 0.00 C ATOM 0 H VAL A 45 7.335 -9.770 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 45 4.562 -10.187 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 45 6.116 -11.433 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.809 -13.004 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.123 -11.332 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.374 -12.489 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.485 -13.778 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.016 -13.276 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.113 -12.670 -1.773 1.00 0.00 H new ATOM 638 N GLY A 46 5.832 -10.515 1.817 1.00 0.00 N ATOM 639 CA GLY A 46 5.513 -10.956 3.209 1.00 0.00 C ATOM 640 C GLY A 46 5.648 -9.777 4.178 1.00 0.00 C ATOM 641 O GLY A 46 6.034 -9.952 5.318 1.00 0.00 O ATOM 0 H GLY A 46 6.549 -9.794 1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.500 -11.356 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.185 -11.761 3.507 1.00 0.00 H new ATOM 645 N HIS A 47 5.344 -8.573 3.740 1.00 0.00 N ATOM 646 CA HIS A 47 5.473 -7.391 4.653 1.00 0.00 C ATOM 647 C HIS A 47 4.417 -6.327 4.334 1.00 0.00 C ATOM 648 O HIS A 47 3.963 -6.202 3.213 1.00 0.00 O ATOM 649 CB HIS A 47 6.874 -6.804 4.401 1.00 0.00 C ATOM 650 CG HIS A 47 7.905 -7.897 4.295 1.00 0.00 C ATOM 651 ND1 HIS A 47 8.352 -8.627 3.224 1.00 0.00 N flip ATOM 652 CD2 HIS A 47 8.611 -8.362 5.392 1.00 0.00 C flip ATOM 653 CE1 HIS A 47 9.320 -9.533 3.645 1.00 0.00 C flip ATOM 654 NE2 HIS A 47 9.438 -9.332 4.959 1.00 0.00 N flip ATOM 0 H HIS A 47 5.015 -8.361 2.798 1.00 0.00 H new ATOM 0 HA HIS A 47 5.330 -7.694 5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.866 -6.216 3.483 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.140 -6.126 5.212 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.024 -8.522 2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.516 -8.011 6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.860 -10.246 3.039 1.00 0.00 H new ATOM 662 N THR A 48 4.066 -5.533 5.315 1.00 0.00 N ATOM 663 CA THR A 48 3.084 -4.432 5.106 1.00 0.00 C ATOM 664 C THR A 48 3.900 -3.152 4.941 1.00 0.00 C ATOM 665 O THR A 48 4.226 -2.481 5.900 1.00 0.00 O ATOM 666 CB THR A 48 2.217 -4.383 6.380 1.00 0.00 C ATOM 667 OG1 THR A 48 2.354 -5.594 7.117 1.00 0.00 O ATOM 668 CG2 THR A 48 0.750 -4.192 5.996 1.00 0.00 C ATOM 0 H THR A 48 4.426 -5.605 6.267 1.00 0.00 H new ATOM 0 HA THR A 48 2.443 -4.565 4.234 1.00 0.00 H new ATOM 0 HB THR A 48 2.549 -3.548 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.030 -6.344 6.576 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.139 -4.158 6.898 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.637 -3.258 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.426 -5.024 5.370 1.00 0.00 H new ATOM 676 N ILE A 49 4.285 -2.842 3.737 1.00 0.00 N ATOM 677 CA ILE A 49 5.145 -1.638 3.528 1.00 0.00 C ATOM 678 C ILE A 49 4.312 -0.376 3.377 1.00 0.00 C ATOM 679 O ILE A 49 3.492 -0.265 2.486 1.00 0.00 O ATOM 680 CB ILE A 49 5.934 -1.924 2.248 1.00 0.00 C ATOM 681 CG1 ILE A 49 6.905 -3.078 2.505 1.00 0.00 C ATOM 682 CG2 ILE A 49 6.728 -0.679 1.835 1.00 0.00 C ATOM 683 CD1 ILE A 49 7.146 -3.842 1.207 1.00 0.00 C ATOM 0 H ILE A 49 4.046 -3.362 2.893 1.00 0.00 H new ATOM 0 HA ILE A 49 5.798 -1.464 4.383 1.00 0.00 H new ATOM 0 HB ILE A 49 5.242 -2.190 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.848 -2.693 2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.498 -3.747 3.263 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.287 -0.890 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.041 0.148 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.421 -0.409 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.838 -4.664 1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.201 -4.240 0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.572 -3.169 0.463 1.00 0.00 H new ATOM 695 N ALA A 50 4.542 0.592 4.230 1.00 0.00 N ATOM 696 CA ALA A 50 3.792 1.867 4.116 1.00 0.00 C ATOM 697 C ALA A 50 4.424 2.694 3.008 1.00 0.00 C ATOM 698 O ALA A 50 5.192 3.610 3.244 1.00 0.00 O ATOM 699 CB ALA A 50 3.901 2.548 5.474 1.00 0.00 C ATOM 0 H ALA A 50 5.215 0.549 4.995 1.00 0.00 H new ATOM 0 HA ALA A 50 2.741 1.728 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.365 3.497 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.466 1.905 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.950 2.730 5.706 1.00 0.00 H new ATOM 705 N VAL A 51 4.114 2.340 1.791 1.00 0.00 N ATOM 706 CA VAL A 51 4.698 3.056 0.617 1.00 0.00 C ATOM 707 C VAL A 51 4.272 4.526 0.615 1.00 0.00 C ATOM 708 O VAL A 51 3.101 4.846 0.708 1.00 0.00 O ATOM 709 CB VAL A 51 4.166 2.331 -0.632 1.00 0.00 C ATOM 710 CG1 VAL A 51 4.553 0.849 -0.581 1.00 0.00 C ATOM 711 CG2 VAL A 51 2.637 2.457 -0.707 1.00 0.00 C ATOM 0 H VAL A 51 3.476 1.580 1.556 1.00 0.00 H new ATOM 0 HA VAL A 51 5.788 3.045 0.646 1.00 0.00 H new ATOM 0 HB VAL A 51 4.607 2.791 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.173 0.343 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.639 0.757 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.123 0.391 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.272 1.940 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.191 2.010 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.361 3.510 -0.761 1.00 0.00 H new ATOM 721 N TYR A 52 5.218 5.420 0.498 1.00 0.00 N ATOM 722 CA TYR A 52 4.875 6.867 0.471 1.00 0.00 C ATOM 723 C TYR A 52 4.293 7.207 -0.903 1.00 0.00 C ATOM 724 O TYR A 52 5.008 7.280 -1.887 1.00 0.00 O ATOM 725 CB TYR A 52 6.197 7.608 0.715 1.00 0.00 C ATOM 726 CG TYR A 52 5.923 9.065 1.010 1.00 0.00 C ATOM 727 CD1 TYR A 52 5.228 9.427 2.169 1.00 0.00 C ATOM 728 CD2 TYR A 52 6.374 10.053 0.129 1.00 0.00 C ATOM 729 CE1 TYR A 52 4.984 10.776 2.447 1.00 0.00 C ATOM 730 CE2 TYR A 52 6.133 11.402 0.407 1.00 0.00 C ATOM 731 CZ TYR A 52 5.438 11.765 1.567 1.00 0.00 C ATOM 732 OH TYR A 52 5.201 13.096 1.842 1.00 0.00 O ATOM 0 H TYR A 52 6.213 5.208 0.420 1.00 0.00 H new ATOM 0 HA TYR A 52 4.135 7.146 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.730 7.153 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.840 7.520 -0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.880 8.664 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 52 6.909 9.774 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.445 11.054 3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.483 12.164 -0.273 1.00 0.00 H new ATOM 0 HH TYR A 52 4.968 13.565 1.013 1.00 0.00 H new ATOM 742 N ASN A 53 2.997 7.401 -0.984 1.00 0.00 N ATOM 743 CA ASN A 53 2.368 7.722 -2.305 1.00 0.00 C ATOM 744 C ASN A 53 2.632 9.183 -2.707 1.00 0.00 C ATOM 745 O ASN A 53 2.074 9.678 -3.669 1.00 0.00 O ATOM 746 CB ASN A 53 0.866 7.456 -2.116 1.00 0.00 C ATOM 747 CG ASN A 53 0.213 8.599 -1.333 1.00 0.00 C ATOM 748 OD1 ASN A 53 0.411 8.726 -0.143 1.00 0.00 O ATOM 749 ND2 ASN A 53 -0.565 9.442 -1.957 1.00 0.00 N ATOM 0 H ASN A 53 2.351 7.351 -0.196 1.00 0.00 H new ATOM 0 HA ASN A 53 2.785 7.114 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.384 7.351 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.721 6.515 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.005 10.206 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.733 9.337 -2.958 1.00 0.00 H new ATOM 756 N GLY A 54 3.471 9.874 -1.976 1.00 0.00 N ATOM 757 CA GLY A 54 3.769 11.298 -2.299 1.00 0.00 C ATOM 758 C GLY A 54 3.438 12.151 -1.077 1.00 0.00 C ATOM 759 O GLY A 54 4.003 13.209 -0.872 1.00 0.00 O ATOM 0 H GLY A 54 3.965 9.507 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.819 11.414 -2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.182 11.623 -3.158 1.00 0.00 H new ATOM 763 N LYS A 55 2.517 11.691 -0.266 1.00 0.00 N ATOM 764 CA LYS A 55 2.126 12.456 0.955 1.00 0.00 C ATOM 765 C LYS A 55 1.887 11.525 2.153 1.00 0.00 C ATOM 766 O LYS A 55 1.950 11.953 3.290 1.00 0.00 O ATOM 767 CB LYS A 55 0.820 13.184 0.599 1.00 0.00 C ATOM 768 CG LYS A 55 -0.033 12.349 -0.368 1.00 0.00 C ATOM 769 CD LYS A 55 0.248 12.780 -1.812 1.00 0.00 C ATOM 770 CE LYS A 55 -0.977 13.502 -2.385 1.00 0.00 C ATOM 771 NZ LYS A 55 -1.844 12.424 -2.943 1.00 0.00 N ATOM 0 H LYS A 55 2.017 10.812 -0.400 1.00 0.00 H new ATOM 0 HA LYS A 55 2.920 13.145 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.253 13.385 1.508 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.050 14.149 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.192 11.290 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.091 12.479 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.117 13.438 -1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.486 11.908 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.499 14.066 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.688 14.214 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.702 12.846 -3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.325 11.909 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.110 11.765 -2.184 1.00 0.00 H new ATOM 785 N GLN A 56 1.569 10.273 1.918 1.00 0.00 N ATOM 786 CA GLN A 56 1.278 9.352 3.057 1.00 0.00 C ATOM 787 C GLN A 56 1.950 7.984 2.889 1.00 0.00 C ATOM 788 O GLN A 56 2.196 7.524 1.791 1.00 0.00 O ATOM 789 CB GLN A 56 -0.254 9.250 3.036 1.00 0.00 C ATOM 790 CG GLN A 56 -0.730 7.836 2.677 1.00 0.00 C ATOM 791 CD GLN A 56 -1.440 7.210 3.881 1.00 0.00 C ATOM 792 OE1 GLN A 56 -0.742 6.859 4.928 1.00 0.00 O flip ATOM 793 NE2 GLN A 56 -2.643 7.038 3.869 1.00 0.00 N flip ATOM 0 H GLN A 56 1.499 9.854 0.991 1.00 0.00 H new ATOM 0 HA GLN A 56 1.669 9.718 4.006 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.650 9.529 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.655 9.962 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.407 7.875 1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.119 7.220 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.189 7.312 3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.106 6.620 4.676 1.00 0.00 H new ATOM 802 N HIS A 57 2.203 7.326 3.993 1.00 0.00 N ATOM 803 CA HIS A 57 2.814 5.967 3.961 1.00 0.00 C ATOM 804 C HIS A 57 1.698 4.936 4.158 1.00 0.00 C ATOM 805 O HIS A 57 1.190 4.774 5.251 1.00 0.00 O ATOM 806 CB HIS A 57 3.807 5.892 5.142 1.00 0.00 C ATOM 807 CG HIS A 57 4.203 7.264 5.633 1.00 0.00 C ATOM 808 ND1 HIS A 57 5.106 8.184 5.165 1.00 0.00 N flip ATOM 809 CD2 HIS A 57 3.629 7.837 6.758 1.00 0.00 C flip ATOM 810 CE1 HIS A 57 5.093 9.311 5.982 1.00 0.00 C flip ATOM 811 NE2 HIS A 57 4.187 9.049 6.926 1.00 0.00 N flip ATOM 0 H HIS A 57 2.008 7.682 4.929 1.00 0.00 H new ATOM 0 HA HIS A 57 3.325 5.771 3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.356 5.330 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.698 5.346 4.833 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.697 8.061 4.343 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.871 7.391 7.385 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.688 10.206 5.875 1.00 0.00 H new ATOM 819 N VAL A 58 1.296 4.253 3.117 1.00 0.00 N ATOM 820 CA VAL A 58 0.194 3.246 3.258 1.00 0.00 C ATOM 821 C VAL A 58 0.788 1.850 3.502 1.00 0.00 C ATOM 822 O VAL A 58 1.249 1.215 2.571 1.00 0.00 O ATOM 823 CB VAL A 58 -0.570 3.289 1.925 1.00 0.00 C ATOM 824 CG1 VAL A 58 -1.829 2.424 2.027 1.00 0.00 C ATOM 825 CG2 VAL A 58 -0.977 4.732 1.603 1.00 0.00 C ATOM 0 H VAL A 58 1.680 4.346 2.177 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.462 3.465 4.101 1.00 0.00 H new ATOM 0 HB VAL A 58 0.076 2.909 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.370 2.455 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.546 1.395 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.469 2.805 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.518 4.755 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.618 5.115 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.085 5.353 1.526 1.00 0.00 H new ATOM 835 N PRO A 59 0.773 1.421 4.754 1.00 0.00 N ATOM 836 CA PRO A 59 1.334 0.092 5.124 1.00 0.00 C ATOM 837 C PRO A 59 0.477 -1.008 4.529 1.00 0.00 C ATOM 838 O PRO A 59 -0.518 -1.428 5.092 1.00 0.00 O ATOM 839 CB PRO A 59 1.280 0.077 6.647 1.00 0.00 C ATOM 840 CG PRO A 59 0.202 1.050 6.993 1.00 0.00 C ATOM 841 CD PRO A 59 0.228 2.113 5.926 1.00 0.00 C ATOM 0 HA PRO A 59 2.346 -0.071 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.052 -0.919 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.235 0.372 7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.770 0.557 7.026 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.373 1.484 7.978 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.769 2.507 5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.852 2.957 6.218 1.00 0.00 H new ATOM 849 N VAL A 60 0.855 -1.446 3.375 1.00 0.00 N ATOM 850 CA VAL A 60 0.075 -2.506 2.679 1.00 0.00 C ATOM 851 C VAL A 60 0.822 -3.836 2.654 1.00 0.00 C ATOM 852 O VAL A 60 1.956 -3.909 2.228 1.00 0.00 O ATOM 853 CB VAL A 60 -0.104 -2.006 1.242 1.00 0.00 C ATOM 854 CG1 VAL A 60 -1.050 -0.805 1.219 1.00 0.00 C ATOM 855 CG2 VAL A 60 1.249 -1.609 0.632 1.00 0.00 C ATOM 0 H VAL A 60 1.679 -1.116 2.872 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.870 -2.682 3.192 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.531 -2.815 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.171 -0.457 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.020 -1.098 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.634 -0.002 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.099 -1.257 -0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.697 -0.814 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.912 -2.474 0.623 1.00 0.00 H new ATOM 865 N TYR A 61 0.182 -4.901 3.061 1.00 0.00 N ATOM 866 CA TYR A 61 0.854 -6.229 2.991 1.00 0.00 C ATOM 867 C TYR A 61 0.937 -6.616 1.509 1.00 0.00 C ATOM 868 O TYR A 61 -0.057 -6.930 0.881 1.00 0.00 O ATOM 869 CB TYR A 61 -0.030 -7.200 3.779 1.00 0.00 C ATOM 870 CG TYR A 61 0.833 -8.307 4.335 1.00 0.00 C ATOM 871 CD1 TYR A 61 1.349 -9.286 3.479 1.00 0.00 C ATOM 872 CD2 TYR A 61 1.122 -8.353 5.703 1.00 0.00 C ATOM 873 CE1 TYR A 61 2.151 -10.311 3.987 1.00 0.00 C ATOM 874 CE2 TYR A 61 1.926 -9.377 6.214 1.00 0.00 C ATOM 875 CZ TYR A 61 2.441 -10.358 5.356 1.00 0.00 C ATOM 876 OH TYR A 61 3.235 -11.368 5.860 1.00 0.00 O ATOM 0 H TYR A 61 -0.767 -4.908 3.435 1.00 0.00 H new ATOM 0 HA TYR A 61 1.861 -6.234 3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.538 -6.675 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.804 -7.614 3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.127 -9.249 2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.724 -7.598 6.365 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.547 -11.066 3.324 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.150 -9.412 7.270 1.00 0.00 H new ATOM 0 HH TYR A 61 3.510 -11.962 5.131 1.00 0.00 H new ATOM 886 N ILE A 62 2.110 -6.528 0.940 1.00 0.00 N ATOM 887 CA ILE A 62 2.283 -6.814 -0.519 1.00 0.00 C ATOM 888 C ILE A 62 1.831 -8.220 -0.917 1.00 0.00 C ATOM 889 O ILE A 62 0.944 -8.372 -1.734 1.00 0.00 O ATOM 890 CB ILE A 62 3.783 -6.630 -0.772 1.00 0.00 C ATOM 891 CG1 ILE A 62 4.092 -5.155 -1.010 1.00 0.00 C ATOM 892 CG2 ILE A 62 4.218 -7.425 -2.009 1.00 0.00 C ATOM 893 CD1 ILE A 62 4.086 -4.386 0.305 1.00 0.00 C ATOM 0 H ILE A 62 2.967 -6.267 1.428 1.00 0.00 H new ATOM 0 HA ILE A 62 1.662 -6.149 -1.120 1.00 0.00 H new ATOM 0 HB ILE A 62 4.324 -6.990 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.065 -5.055 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.354 -4.729 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.286 -7.284 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.012 -8.484 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.666 -7.073 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.308 -3.336 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.104 -4.470 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.841 -4.801 0.973 1.00 0.00 H new ATOM 905 N THR A 63 2.477 -9.238 -0.405 1.00 0.00 N ATOM 906 CA THR A 63 2.139 -10.637 -0.814 1.00 0.00 C ATOM 907 C THR A 63 2.519 -10.789 -2.293 1.00 0.00 C ATOM 908 O THR A 63 2.857 -9.821 -2.950 1.00 0.00 O ATOM 909 CB THR A 63 0.623 -10.815 -0.604 1.00 0.00 C ATOM 910 OG1 THR A 63 0.222 -10.172 0.602 1.00 0.00 O ATOM 911 CG2 THR A 63 0.289 -12.307 -0.517 1.00 0.00 C ATOM 0 H THR A 63 3.227 -9.160 0.282 1.00 0.00 H new ATOM 0 HA THR A 63 2.673 -11.390 -0.235 1.00 0.00 H new ATOM 0 HB THR A 63 0.092 -10.369 -1.445 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.743 -10.287 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.784 -12.432 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.587 -12.801 -1.442 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.825 -12.752 0.321 1.00 0.00 H new ATOM 919 N GLU A 64 2.478 -11.971 -2.836 1.00 0.00 N ATOM 920 CA GLU A 64 2.847 -12.115 -4.274 1.00 0.00 C ATOM 921 C GLU A 64 1.624 -11.791 -5.146 1.00 0.00 C ATOM 922 O GLU A 64 1.164 -12.612 -5.919 1.00 0.00 O ATOM 923 CB GLU A 64 3.282 -13.576 -4.439 1.00 0.00 C ATOM 924 CG GLU A 64 4.402 -13.664 -5.482 1.00 0.00 C ATOM 925 CD GLU A 64 5.719 -13.169 -4.874 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.438 -13.984 -4.320 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.988 -11.982 -4.974 1.00 0.00 O ATOM 0 H GLU A 64 2.210 -12.832 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 64 3.645 -11.437 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.628 -13.973 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.434 -14.186 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.513 -14.693 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.146 -13.064 -6.355 1.00 0.00 H new ATOM 934 N ASN A 65 1.084 -10.596 -5.015 1.00 0.00 N ATOM 935 CA ASN A 65 -0.121 -10.224 -5.821 1.00 0.00 C ATOM 936 C ASN A 65 -0.326 -8.701 -5.890 1.00 0.00 C ATOM 937 O ASN A 65 -0.753 -8.185 -6.906 1.00 0.00 O ATOM 938 CB ASN A 65 -1.297 -10.883 -5.092 1.00 0.00 C ATOM 939 CG ASN A 65 -2.515 -10.931 -6.018 1.00 0.00 C ATOM 940 OD1 ASN A 65 -2.680 -11.865 -6.776 1.00 0.00 O ATOM 941 ND2 ASN A 65 -3.383 -9.955 -5.988 1.00 0.00 N ATOM 0 H ASN A 65 1.427 -9.869 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.019 -10.556 -6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.025 -11.891 -4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.537 -10.323 -4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.198 -9.978 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.246 -9.170 -5.352 1.00 0.00 H new ATOM 948 N MET A 66 -0.049 -7.975 -4.830 1.00 0.00 N ATOM 949 CA MET A 66 -0.261 -6.492 -4.869 1.00 0.00 C ATOM 950 C MET A 66 0.989 -5.766 -5.399 1.00 0.00 C ATOM 951 O MET A 66 0.925 -4.612 -5.774 1.00 0.00 O ATOM 952 CB MET A 66 -0.548 -6.103 -3.419 1.00 0.00 C ATOM 953 CG MET A 66 -1.693 -6.960 -2.864 1.00 0.00 C ATOM 954 SD MET A 66 -2.993 -5.887 -2.204 1.00 0.00 S ATOM 955 CE MET A 66 -2.777 -6.310 -0.457 1.00 0.00 C ATOM 0 H MET A 66 0.311 -8.341 -3.949 1.00 0.00 H new ATOM 0 HA MET A 66 -1.074 -6.212 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.347 -6.240 -2.813 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.812 -5.047 -3.362 1.00 0.00 H new ATOM 0 HG2 MET A 66 -2.098 -7.597 -3.651 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.320 -7.620 -2.081 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.715 -6.150 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.484 -7.356 -0.369 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.002 -5.679 -0.023 1.00 0.00 H new ATOM 965 N VAL A 67 2.119 -6.426 -5.432 1.00 0.00 N ATOM 966 CA VAL A 67 3.372 -5.764 -5.930 1.00 0.00 C ATOM 967 C VAL A 67 3.368 -5.591 -7.458 1.00 0.00 C ATOM 968 O VAL A 67 2.644 -6.259 -8.173 1.00 0.00 O ATOM 969 CB VAL A 67 4.514 -6.704 -5.523 1.00 0.00 C ATOM 970 CG1 VAL A 67 4.277 -8.101 -6.111 1.00 0.00 C ATOM 971 CG2 VAL A 67 5.834 -6.153 -6.063 1.00 0.00 C ATOM 0 H VAL A 67 2.232 -7.396 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 67 3.470 -4.764 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 67 4.553 -6.772 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.092 -8.762 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.334 -8.499 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.236 -8.036 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.650 -6.817 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.784 -6.088 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.011 -5.161 -5.648 1.00 0.00 H new ATOM 981 N GLY A 68 4.214 -4.714 -7.956 1.00 0.00 N ATOM 982 CA GLY A 68 4.318 -4.498 -9.429 1.00 0.00 C ATOM 983 C GLY A 68 3.841 -3.099 -9.815 1.00 0.00 C ATOM 984 O GLY A 68 4.155 -2.613 -10.886 1.00 0.00 O ATOM 0 H GLY A 68 4.840 -4.136 -7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.352 -4.634 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.722 -5.246 -9.952 1.00 0.00 H new ATOM 988 N HIS A 69 3.081 -2.446 -8.974 1.00 0.00 N ATOM 989 CA HIS A 69 2.590 -1.086 -9.327 1.00 0.00 C ATOM 990 C HIS A 69 3.180 -0.040 -8.377 1.00 0.00 C ATOM 991 O HIS A 69 4.174 0.589 -8.679 1.00 0.00 O ATOM 992 CB HIS A 69 1.064 -1.170 -9.191 1.00 0.00 C ATOM 993 CG HIS A 69 0.517 -2.120 -10.227 1.00 0.00 C ATOM 994 ND1 HIS A 69 0.795 -3.438 -10.505 1.00 0.00 N flip ATOM 995 CD2 HIS A 69 -0.452 -1.738 -11.141 1.00 0.00 C flip ATOM 996 CE1 HIS A 69 0.012 -3.866 -11.573 1.00 0.00 C flip ATOM 997 NE2 HIS A 69 -0.721 -2.804 -11.918 1.00 0.00 N flip ATOM 0 H HIS A 69 2.782 -2.796 -8.064 1.00 0.00 H new ATOM 0 HA HIS A 69 2.886 -0.783 -10.331 1.00 0.00 H new ATOM 0 HB2 HIS A 69 0.796 -1.512 -8.191 1.00 0.00 H new ATOM 0 HB3 HIS A 69 0.622 -0.182 -9.319 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.909 -0.762 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.000 -4.846 -12.026 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -1.402 -2.801 -12.678 1.00 0.00 H new ATOM 1005 N LYS A 70 2.567 0.149 -7.237 1.00 0.00 N ATOM 1006 CA LYS A 70 3.066 1.151 -6.235 1.00 0.00 C ATOM 1007 C LYS A 70 2.130 1.186 -5.025 1.00 0.00 C ATOM 1008 O LYS A 70 2.541 1.377 -3.897 1.00 0.00 O ATOM 1009 CB LYS A 70 3.079 2.520 -6.939 1.00 0.00 C ATOM 1010 CG LYS A 70 1.845 2.669 -7.833 1.00 0.00 C ATOM 1011 CD LYS A 70 0.749 3.438 -7.089 1.00 0.00 C ATOM 1012 CE LYS A 70 -0.011 4.332 -8.077 1.00 0.00 C ATOM 1013 NZ LYS A 70 -1.449 4.191 -7.709 1.00 0.00 N ATOM 0 H LYS A 70 1.728 -0.355 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 70 4.063 0.890 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.097 3.318 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.984 2.620 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.111 3.195 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.476 1.686 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.062 2.740 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.189 4.045 -6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.315 5.369 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.164 4.019 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.037 4.679 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.704 3.183 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.611 4.612 -6.772 1.00 0.00 H new ATOM 1027 N LEU A 71 0.871 0.997 -5.298 1.00 0.00 N ATOM 1028 CA LEU A 71 -0.199 1.004 -4.244 1.00 0.00 C ATOM 1029 C LEU A 71 -1.603 0.830 -4.881 1.00 0.00 C ATOM 1030 O LEU A 71 -2.563 0.550 -4.188 1.00 0.00 O ATOM 1031 CB LEU A 71 -0.085 2.369 -3.530 1.00 0.00 C ATOM 1032 CG LEU A 71 -0.940 3.431 -4.236 1.00 0.00 C ATOM 1033 CD1 LEU A 71 -2.291 3.562 -3.526 1.00 0.00 C ATOM 1034 CD2 LEU A 71 -0.214 4.779 -4.191 1.00 0.00 C ATOM 0 H LEU A 71 0.520 0.831 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.071 0.178 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.406 2.269 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.957 2.688 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.102 3.133 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.895 4.317 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.810 2.604 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.130 3.859 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.819 5.535 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.054 5.071 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.748 4.691 -4.696 1.00 0.00 H new ATOM 1046 N GLY A 72 -1.732 0.989 -6.190 1.00 0.00 N ATOM 1047 CA GLY A 72 -3.063 0.829 -6.854 1.00 0.00 C ATOM 1048 C GLY A 72 -3.487 -0.644 -6.848 1.00 0.00 C ATOM 1049 O GLY A 72 -4.645 -0.958 -7.050 1.00 0.00 O ATOM 0 H GLY A 72 -0.965 1.223 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.810 1.431 -6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.012 1.196 -7.879 1.00 0.00 H new ATOM 1053 N GLU A 73 -2.572 -1.545 -6.590 1.00 0.00 N ATOM 1054 CA GLU A 73 -2.932 -2.997 -6.536 1.00 0.00 C ATOM 1055 C GLU A 73 -3.468 -3.326 -5.144 1.00 0.00 C ATOM 1056 O GLU A 73 -4.066 -4.361 -4.918 1.00 0.00 O ATOM 1057 CB GLU A 73 -1.627 -3.748 -6.784 1.00 0.00 C ATOM 1058 CG GLU A 73 -1.364 -3.839 -8.285 1.00 0.00 C ATOM 1059 CD GLU A 73 -1.253 -5.309 -8.697 1.00 0.00 C ATOM 1060 OE1 GLU A 73 -0.163 -5.849 -8.604 1.00 0.00 O ATOM 1061 OE2 GLU A 73 -2.260 -5.869 -9.099 1.00 0.00 O ATOM 0 H GLU A 73 -1.589 -1.338 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.695 -3.266 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.801 -3.235 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.684 -4.748 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.171 -3.356 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.445 -3.310 -8.536 1.00 0.00 H new