USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 77 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= 1.28 K(o=1.3,f=-9.5!) USER MOD Set 2.1: A 73 LYS NZ :NH3+ 174:sc= 1.1 (180deg=-0.0564) USER MOD Set 2.2: A 74 GLN : amide:sc= 0.812 K(o=1.9,f=-6.9) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -135:sc= 2.17 (180deg=0.127) USER MOD Set 3.2: A 17 ASN : amide:sc= 0.243 K(o=2.4,f=-0.93) USER MOD Single : A 15 ASN : amide:sc= -0.28 K(o=-0.28,f=-3.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.61 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.036 USER MOD Single : A 33 HIS : no HE2:sc= 0.744 K(o=0.74,f=-5.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.433 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 49 SER OG : rot 88:sc= 0.434 USER MOD Single : A 54 HIS :FLIP no HE2:sc= 0.00282 F(o=-0.69,f=0.0028) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -130:sc= -0.527 USER MOD Single : A 72 HIS : no HE2:sc= 0.234 K(o=0.23,f=-2.8!) USER MOD Single : A 78 THR OG1 : rot 69:sc= 1.16 USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.625 USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.98!,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 1.05 K(o=1,f=-3.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.423 -9.091 -8.620 1.00 62.34 N ATOM 61 CA GLY A 5 -5.121 -9.537 -9.030 1.00 50.23 C ATOM 62 C GLY A 5 -4.588 -8.613 -10.077 1.00 33.23 C ATOM 63 O GLY A 5 -3.440 -8.734 -10.487 1.00 60.31 O ATOM 0 HA2 GLY A 5 -4.447 -9.562 -8.174 1.00 50.23 H new ATOM 0 HA3 GLY A 5 -5.179 -10.553 -9.421 1.00 50.23 H new ATOM 67 N ASP A 6 -5.421 -7.666 -10.560 1.00 73.20 N ATOM 68 CA ASP A 6 -4.985 -6.769 -11.618 1.00 4.43 C ATOM 69 C ASP A 6 -4.101 -5.726 -10.989 1.00 10.44 C ATOM 70 O ASP A 6 -4.368 -5.269 -9.864 1.00 70.25 O ATOM 71 CB ASP A 6 -6.159 -6.071 -12.354 1.00 31.20 C ATOM 72 CG ASP A 6 -5.652 -5.429 -13.623 1.00 72.34 C ATOM 73 OD1 ASP A 6 -4.922 -6.106 -14.386 1.00 11.54 O ATOM 74 OD2 ASP A 6 -5.999 -4.261 -13.892 1.00 61.12 O ATOM 0 H ASP A 6 -6.376 -7.515 -10.234 1.00 73.20 H new ATOM 0 HA ASP A 6 -4.460 -7.358 -12.370 1.00 4.43 H new ATOM 0 HB2 ASP A 6 -6.938 -6.797 -12.588 1.00 31.20 H new ATOM 0 HB3 ASP A 6 -6.609 -5.317 -11.708 1.00 31.20 H new ATOM 79 N ILE A 7 -2.993 -5.387 -11.678 1.00 3.32 N ATOM 80 CA ILE A 7 -1.985 -4.527 -11.139 1.00 63.41 C ATOM 81 C ILE A 7 -2.248 -3.150 -11.662 1.00 22.54 C ATOM 82 O ILE A 7 -2.483 -2.973 -12.865 1.00 64.24 O ATOM 83 CB ILE A 7 -0.595 -4.931 -11.612 1.00 23.43 C ATOM 84 CG1 ILE A 7 -0.405 -6.462 -11.570 1.00 74.11 C ATOM 85 CG2 ILE A 7 0.461 -4.101 -10.859 1.00 41.13 C ATOM 86 CD1 ILE A 7 -0.401 -7.001 -10.191 1.00 24.45 C ATOM 0 H ILE A 7 -2.796 -5.716 -12.623 1.00 3.32 H new ATOM 0 HA ILE A 7 -2.019 -4.583 -10.051 1.00 63.41 H new ATOM 0 HB ILE A 7 -0.462 -4.691 -12.667 1.00 23.43 H new ATOM 0 HG12 ILE A 7 -1.203 -6.939 -12.139 1.00 74.11 H new ATOM 0 HG13 ILE A 7 0.534 -6.721 -12.059 1.00 74.11 H new ATOM 0 HG21 ILE A 7 1.457 -4.388 -11.196 1.00 41.13 H new ATOM 0 HG22 ILE A 7 0.302 -3.041 -11.059 1.00 41.13 H new ATOM 0 HG23 ILE A 7 0.373 -4.285 -9.788 1.00 41.13 H new ATOM 0 HD11 ILE A 7 -0.264 -8.082 -10.223 1.00 24.45 H new ATOM 0 HD12 ILE A 7 0.414 -6.549 -9.626 1.00 24.45 H new ATOM 0 HD13 ILE A 7 -1.350 -6.770 -9.707 1.00 24.45 H new ATOM 98 N PHE A 8 -2.214 -2.144 -10.781 1.00 61.41 N ATOM 99 CA PHE A 8 -2.354 -0.786 -11.230 1.00 12.45 C ATOM 100 C PHE A 8 -1.454 0.071 -10.405 1.00 22.34 C ATOM 101 O PHE A 8 -1.111 -0.266 -9.270 1.00 60.20 O ATOM 102 CB PHE A 8 -3.819 -0.203 -11.220 1.00 53.40 C ATOM 103 CG PHE A 8 -4.464 -0.265 -9.839 1.00 54.00 C ATOM 104 CD1 PHE A 8 -4.676 -1.503 -9.171 1.00 50.24 C ATOM 105 CD2 PHE A 8 -4.927 0.926 -9.214 1.00 42.34 C ATOM 106 CE1 PHE A 8 -5.311 -1.542 -7.929 1.00 14.13 C ATOM 107 CE2 PHE A 8 -5.598 0.869 -7.974 1.00 34.03 C ATOM 108 CZ PHE A 8 -5.785 -0.362 -7.333 1.00 52.14 C ATOM 0 H PHE A 8 -2.092 -2.257 -9.775 1.00 61.41 H new ATOM 0 HA PHE A 8 -2.078 -0.785 -12.284 1.00 12.45 H new ATOM 0 HB2 PHE A 8 -3.797 0.832 -11.561 1.00 53.40 H new ATOM 0 HB3 PHE A 8 -4.432 -0.759 -11.929 1.00 53.40 H new ATOM 0 HD1 PHE A 8 -4.342 -2.422 -9.630 1.00 50.24 H new ATOM 0 HD2 PHE A 8 -4.764 1.881 -9.692 1.00 42.34 H new ATOM 0 HE1 PHE A 8 -5.439 -2.487 -7.422 1.00 14.13 H new ATOM 0 HE2 PHE A 8 -5.968 1.776 -7.519 1.00 34.03 H new ATOM 0 HZ PHE A 8 -6.293 -0.404 -6.381 1.00 52.14 H new ATOM 118 N GLU A 9 -1.025 1.200 -10.997 1.00 70.23 N ATOM 119 CA GLU A 9 -0.190 2.149 -10.311 1.00 65.43 C ATOM 120 C GLU A 9 -1.063 3.283 -9.970 1.00 31.23 C ATOM 121 O GLU A 9 -1.982 3.618 -10.747 1.00 54.35 O ATOM 122 CB GLU A 9 0.928 2.735 -11.184 1.00 53.34 C ATOM 123 CG GLU A 9 1.834 1.680 -11.807 1.00 65.55 C ATOM 124 CD GLU A 9 2.948 2.383 -12.532 1.00 40.42 C ATOM 125 OE1 GLU A 9 2.920 3.642 -12.605 1.00 40.43 O ATOM 126 OE2 GLU A 9 3.854 1.696 -13.036 1.00 31.13 O ATOM 0 H GLU A 9 -1.255 1.461 -11.956 1.00 70.23 H new ATOM 0 HA GLU A 9 0.272 1.638 -9.467 1.00 65.43 H new ATOM 0 HB2 GLU A 9 0.481 3.333 -11.978 1.00 53.34 H new ATOM 0 HB3 GLU A 9 1.533 3.410 -10.579 1.00 53.34 H new ATOM 0 HG2 GLU A 9 2.238 1.023 -11.036 1.00 65.55 H new ATOM 0 HG3 GLU A 9 1.269 1.053 -12.496 1.00 65.55 H new ATOM 133 N VAL A 10 -0.798 3.928 -8.838 1.00 5.21 N ATOM 134 CA VAL A 10 -1.542 5.074 -8.471 1.00 14.23 C ATOM 135 C VAL A 10 -0.577 6.041 -7.876 1.00 73.50 C ATOM 136 O VAL A 10 0.441 5.653 -7.277 1.00 4.25 O ATOM 137 CB VAL A 10 -2.639 4.795 -7.463 1.00 2.12 C ATOM 138 CG1 VAL A 10 -3.697 3.915 -8.150 1.00 15.42 C ATOM 139 CG2 VAL A 10 -2.025 4.139 -6.205 1.00 74.22 C ATOM 0 H VAL A 10 -0.070 3.658 -8.176 1.00 5.21 H new ATOM 0 HA VAL A 10 -2.040 5.456 -9.362 1.00 14.23 H new ATOM 0 HB VAL A 10 -3.127 5.710 -7.127 1.00 2.12 H new ATOM 0 HG11 VAL A 10 -4.501 3.697 -7.447 1.00 15.42 H new ATOM 0 HG12 VAL A 10 -4.103 4.441 -9.014 1.00 15.42 H new ATOM 0 HG13 VAL A 10 -3.238 2.982 -8.476 1.00 15.42 H new ATOM 0 HG21 VAL A 10 -2.812 3.938 -5.479 1.00 74.22 H new ATOM 0 HG22 VAL A 10 -1.539 3.203 -6.483 1.00 74.22 H new ATOM 0 HG23 VAL A 10 -1.290 4.813 -5.765 1.00 74.22 H new ATOM 149 N GLU A 11 -0.887 7.324 -8.036 1.00 44.54 N ATOM 150 CA GLU A 11 -0.203 8.346 -7.319 1.00 3.13 C ATOM 151 C GLU A 11 -1.195 8.852 -6.317 1.00 40.44 C ATOM 152 O GLU A 11 -2.334 9.178 -6.666 1.00 31.40 O ATOM 153 CB GLU A 11 0.269 9.525 -8.202 1.00 32.42 C ATOM 154 CG GLU A 11 -0.749 9.986 -9.251 1.00 64.50 C ATOM 155 CD GLU A 11 -0.213 11.239 -9.896 1.00 42.33 C ATOM 156 OE1 GLU A 11 0.932 11.218 -10.396 1.00 44.14 O ATOM 157 OE2 GLU A 11 -0.921 12.261 -9.888 1.00 54.13 O ATOM 0 H GLU A 11 -1.615 7.662 -8.665 1.00 44.54 H new ATOM 0 HA GLU A 11 0.704 7.932 -6.879 1.00 3.13 H new ATOM 0 HB2 GLU A 11 0.514 10.369 -7.557 1.00 32.42 H new ATOM 0 HB3 GLU A 11 1.189 9.235 -8.710 1.00 32.42 H new ATOM 0 HG2 GLU A 11 -0.905 9.209 -9.999 1.00 64.50 H new ATOM 0 HG3 GLU A 11 -1.716 10.180 -8.786 1.00 64.50 H new ATOM 164 N LEU A 12 -0.808 8.898 -5.046 1.00 51.45 N ATOM 165 CA LEU A 12 -1.702 9.421 -4.047 1.00 71.35 C ATOM 166 C LEU A 12 -0.970 10.407 -3.280 1.00 23.40 C ATOM 167 O LEU A 12 0.197 10.230 -2.960 1.00 25.33 O ATOM 168 CB LEU A 12 -2.288 8.403 -3.060 1.00 24.20 C ATOM 169 CG LEU A 12 -3.529 7.724 -3.602 1.00 13.40 C ATOM 170 CD1 LEU A 12 -3.216 6.459 -4.380 1.00 73.15 C ATOM 171 CD2 LEU A 12 -4.569 7.542 -2.513 1.00 70.12 C ATOM 0 H LEU A 12 0.099 8.585 -4.699 1.00 51.45 H new ATOM 0 HA LEU A 12 -2.556 9.818 -4.596 1.00 71.35 H new ATOM 0 HB2 LEU A 12 -1.535 7.649 -2.830 1.00 24.20 H new ATOM 0 HB3 LEU A 12 -2.531 8.906 -2.124 1.00 24.20 H new ATOM 0 HG LEU A 12 -3.976 8.388 -4.342 1.00 13.40 H new ATOM 0 HD11 LEU A 12 -4.143 6.017 -4.744 1.00 73.15 H new ATOM 0 HD12 LEU A 12 -2.574 6.702 -5.226 1.00 73.15 H new ATOM 0 HD13 LEU A 12 -2.706 5.749 -3.729 1.00 73.15 H new ATOM 0 HD21 LEU A 12 -5.450 7.052 -2.929 1.00 70.12 H new ATOM 0 HD22 LEU A 12 -4.155 6.927 -1.714 1.00 70.12 H new ATOM 0 HD23 LEU A 12 -4.851 8.516 -2.112 1.00 70.12 H new ATOM 183 N ALA A 13 -1.664 11.486 -2.961 1.00 61.52 N ATOM 184 CA ALA A 13 -1.106 12.509 -2.153 1.00 14.34 C ATOM 185 C ALA A 13 -1.324 12.060 -0.766 1.00 64.43 C ATOM 186 O ALA A 13 -2.355 11.505 -0.461 1.00 23.15 O ATOM 187 CB ALA A 13 -1.803 13.871 -2.318 1.00 14.31 C ATOM 0 H ALA A 13 -2.623 11.659 -3.262 1.00 61.52 H new ATOM 0 HA ALA A 13 -0.062 12.657 -2.430 1.00 14.34 H new ATOM 0 HB1 ALA A 13 -1.324 14.606 -1.670 1.00 14.31 H new ATOM 0 HB2 ALA A 13 -1.725 14.196 -3.355 1.00 14.31 H new ATOM 0 HB3 ALA A 13 -2.854 13.777 -2.045 1.00 14.31 H new ATOM 193 N LYS A 14 -0.339 12.268 0.105 1.00 41.11 N ATOM 194 CA LYS A 14 -0.522 11.921 1.497 1.00 60.12 C ATOM 195 C LYS A 14 -1.473 12.910 2.086 1.00 62.31 C ATOM 196 O LYS A 14 -2.234 12.577 2.975 1.00 52.44 O ATOM 197 CB LYS A 14 0.761 12.003 2.315 1.00 10.45 C ATOM 198 CG LYS A 14 1.831 11.003 1.895 1.00 64.24 C ATOM 199 CD LYS A 14 3.125 11.252 2.648 1.00 43.12 C ATOM 200 CE LYS A 14 4.307 10.392 2.230 1.00 71.10 C ATOM 201 NZ LYS A 14 5.551 11.011 2.723 1.00 53.33 N ATOM 0 H LYS A 14 0.571 12.666 -0.128 1.00 41.11 H new ATOM 0 HA LYS A 14 -0.879 10.892 1.531 1.00 60.12 H new ATOM 0 HB2 LYS A 14 1.168 13.011 2.232 1.00 10.45 H new ATOM 0 HB3 LYS A 14 0.520 11.842 3.366 1.00 10.45 H new ATOM 0 HG2 LYS A 14 1.482 9.988 2.087 1.00 64.24 H new ATOM 0 HG3 LYS A 14 2.008 11.082 0.822 1.00 64.24 H new ATOM 0 HD2 LYS A 14 3.400 12.300 2.525 1.00 43.12 H new ATOM 0 HD3 LYS A 14 2.942 11.094 3.711 1.00 43.12 H new ATOM 0 HE2 LYS A 14 4.202 9.385 2.635 1.00 71.10 H new ATOM 0 HE3 LYS A 14 4.338 10.297 1.145 1.00 71.10 H new ATOM 0 HZ1 LYS A 14 6.266 11.002 1.968 1.00 53.33 H new ATOM 0 HZ2 LYS A 14 5.361 11.993 3.008 1.00 53.33 H new ATOM 0 HZ3 LYS A 14 5.905 10.475 3.541 1.00 53.33 H new ATOM 215 N ASN A 15 -1.426 14.153 1.568 1.00 13.22 N ATOM 216 CA ASN A 15 -2.215 15.260 2.089 1.00 34.41 C ATOM 217 C ASN A 15 -1.573 15.697 3.384 1.00 50.15 C ATOM 218 O ASN A 15 -1.700 15.044 4.423 1.00 11.11 O ATOM 219 CB ASN A 15 -3.747 14.977 2.283 1.00 22.01 C ATOM 220 CG ASN A 15 -4.492 16.283 2.576 1.00 24.22 C ATOM 221 OD1 ASN A 15 -3.893 17.314 2.865 1.00 74.14 O ATOM 222 ND2 ASN A 15 -5.831 16.239 2.500 1.00 74.35 N ATOM 0 H ASN A 15 -0.836 14.406 0.776 1.00 13.22 H new ATOM 0 HA ASN A 15 -2.204 16.047 1.335 1.00 34.41 H new ATOM 0 HB2 ASN A 15 -4.155 14.510 1.386 1.00 22.01 H new ATOM 0 HB3 ASN A 15 -3.894 14.274 3.103 1.00 22.01 H new ATOM 0 HD21 ASN A 15 -6.380 17.078 2.685 1.00 74.35 H new ATOM 0 HD22 ASN A 15 -6.300 15.366 2.257 1.00 74.35 H new ATOM 229 N ASP A 16 -0.825 16.816 3.306 1.00 51.22 N ATOM 230 CA ASP A 16 -0.063 17.365 4.428 1.00 75.41 C ATOM 231 C ASP A 16 0.953 16.339 4.891 1.00 71.25 C ATOM 232 O ASP A 16 1.153 16.138 6.081 1.00 4.44 O ATOM 233 CB ASP A 16 -0.927 17.884 5.622 1.00 25.20 C ATOM 234 CG ASP A 16 -0.032 18.619 6.605 1.00 0.45 C ATOM 235 OD1 ASP A 16 0.705 19.550 6.177 1.00 24.32 O ATOM 236 OD2 ASP A 16 -0.048 18.271 7.804 1.00 4.23 O ATOM 0 H ASP A 16 -0.737 17.364 2.450 1.00 51.22 H new ATOM 0 HA ASP A 16 0.438 18.258 4.053 1.00 75.41 H new ATOM 0 HB2 ASP A 16 -1.710 18.549 5.258 1.00 25.20 H new ATOM 0 HB3 ASP A 16 -1.423 17.049 6.117 1.00 25.20 H new ATOM 241 N ASN A 17 1.657 15.740 3.889 1.00 60.31 N ATOM 242 CA ASN A 17 2.784 14.770 4.042 1.00 44.22 C ATOM 243 C ASN A 17 2.562 13.642 5.084 1.00 31.33 C ATOM 244 O ASN A 17 3.457 12.834 5.307 1.00 2.13 O ATOM 245 CB ASN A 17 4.139 15.482 4.326 1.00 51.31 C ATOM 246 CG ASN A 17 5.309 14.522 4.062 1.00 54.24 C ATOM 247 OD1 ASN A 17 5.402 13.902 2.984 1.00 32.41 O ATOM 248 ND2 ASN A 17 6.226 14.397 5.038 1.00 61.42 N ATOM 0 H ASN A 17 1.446 15.927 2.909 1.00 60.31 H new ATOM 0 HA ASN A 17 2.818 14.279 3.069 1.00 44.22 H new ATOM 0 HB2 ASN A 17 4.234 16.365 3.694 1.00 51.31 H new ATOM 0 HB3 ASN A 17 4.168 15.826 5.360 1.00 51.31 H new ATOM 0 HD21 ASN A 17 7.028 13.780 4.908 1.00 61.42 H new ATOM 0 HD22 ASN A 17 6.119 14.919 5.908 1.00 61.42 H new ATOM 255 N SER A 18 1.400 13.552 5.725 1.00 52.45 N ATOM 256 CA SER A 18 1.234 12.589 6.775 1.00 0.55 C ATOM 257 C SER A 18 0.454 11.459 6.210 1.00 61.32 C ATOM 258 O SER A 18 -0.661 11.643 5.699 1.00 61.34 O ATOM 259 CB SER A 18 0.513 13.147 8.022 1.00 43.24 C ATOM 260 OG SER A 18 0.685 12.280 9.156 1.00 61.14 O ATOM 0 H SER A 18 0.581 14.129 5.531 1.00 52.45 H new ATOM 0 HA SER A 18 2.222 12.283 7.119 1.00 0.55 H new ATOM 0 HB2 SER A 18 0.902 14.138 8.257 1.00 43.24 H new ATOM 0 HB3 SER A 18 -0.549 13.264 7.809 1.00 43.24 H new ATOM 0 HG SER A 18 0.220 12.659 9.931 1.00 61.14 H new ATOM 266 N LEU A 19 1.035 10.257 6.264 1.00 35.04 N ATOM 267 CA LEU A 19 0.366 9.097 5.798 1.00 11.21 C ATOM 268 C LEU A 19 0.443 8.162 6.922 1.00 52.52 C ATOM 269 O LEU A 19 1.378 8.227 7.733 1.00 43.43 O ATOM 270 CB LEU A 19 1.061 8.437 4.585 1.00 11.12 C ATOM 271 CG LEU A 19 0.149 7.561 3.694 1.00 54.31 C ATOM 272 CD1 LEU A 19 -1.131 8.299 3.232 1.00 33.23 C ATOM 273 CD2 LEU A 19 0.926 6.985 2.500 1.00 31.20 C ATOM 0 H LEU A 19 1.971 10.089 6.632 1.00 35.04 H new ATOM 0 HA LEU A 19 -0.643 9.353 5.475 1.00 11.21 H new ATOM 0 HB2 LEU A 19 1.499 9.221 3.967 1.00 11.12 H new ATOM 0 HB3 LEU A 19 1.884 7.822 4.949 1.00 11.12 H new ATOM 0 HG LEU A 19 -0.185 6.730 4.315 1.00 54.31 H new ATOM 0 HD11 LEU A 19 -1.730 7.634 2.611 1.00 33.23 H new ATOM 0 HD12 LEU A 19 -1.711 8.602 4.104 1.00 33.23 H new ATOM 0 HD13 LEU A 19 -0.854 9.182 2.656 1.00 33.23 H new ATOM 0 HD21 LEU A 19 0.259 6.374 1.892 1.00 31.20 H new ATOM 0 HD22 LEU A 19 1.322 7.801 1.896 1.00 31.20 H new ATOM 0 HD23 LEU A 19 1.750 6.371 2.864 1.00 31.20 H new ATOM 285 N GLY A 20 -0.515 7.297 7.020 1.00 30.51 N ATOM 286 CA GLY A 20 -0.529 6.357 8.079 1.00 65.11 C ATOM 287 C GLY A 20 -1.681 5.490 7.808 1.00 2.01 C ATOM 288 O GLY A 20 -2.759 5.681 8.355 1.00 51.13 O ATOM 0 H GLY A 20 -1.300 7.227 6.372 1.00 30.51 H new ATOM 0 HA2 GLY A 20 0.397 5.783 8.109 1.00 65.11 H new ATOM 0 HA3 GLY A 20 -0.628 6.853 9.045 1.00 65.11 H new ATOM 292 N ILE A 21 -1.481 4.524 6.919 1.00 64.21 N ATOM 293 CA ILE A 21 -2.493 3.536 6.616 1.00 24.31 C ATOM 294 C ILE A 21 -2.239 2.412 7.618 1.00 32.30 C ATOM 295 O ILE A 21 -1.329 2.526 8.450 1.00 24.12 O ATOM 296 CB ILE A 21 -2.451 3.005 5.165 1.00 42.13 C ATOM 297 CG1 ILE A 21 -1.992 4.113 4.177 1.00 54.13 C ATOM 298 CG2 ILE A 21 -3.859 2.466 4.781 1.00 53.41 C ATOM 299 CD1 ILE A 21 -2.963 5.298 4.079 1.00 33.41 C ATOM 0 H ILE A 21 -0.614 4.409 6.393 1.00 64.21 H new ATOM 0 HA ILE A 21 -3.486 3.977 6.697 1.00 24.31 H new ATOM 0 HB ILE A 21 -1.725 2.195 5.101 1.00 42.13 H new ATOM 0 HG12 ILE A 21 -1.014 4.481 4.488 1.00 54.13 H new ATOM 0 HG13 ILE A 21 -1.867 3.675 3.187 1.00 54.13 H new ATOM 0 HG21 ILE A 21 -3.838 2.089 3.758 1.00 53.41 H new ATOM 0 HG22 ILE A 21 -4.137 1.659 5.459 1.00 53.41 H new ATOM 0 HG23 ILE A 21 -4.590 3.271 4.856 1.00 53.41 H new ATOM 0 HD11 ILE A 21 -2.574 6.029 3.371 1.00 33.41 H new ATOM 0 HD12 ILE A 21 -3.936 4.944 3.738 1.00 33.41 H new ATOM 0 HD13 ILE A 21 -3.069 5.763 5.059 1.00 33.41 H new ATOM 311 N CYS A 22 -3.048 1.339 7.599 1.00 32.11 N ATOM 312 CA CYS A 22 -2.733 0.216 8.490 1.00 11.35 C ATOM 313 C CYS A 22 -2.582 -0.939 7.550 1.00 53.10 C ATOM 314 O CYS A 22 -2.987 -0.869 6.395 1.00 10.34 O ATOM 315 CB CYS A 22 -3.922 -0.100 9.465 1.00 35.41 C ATOM 316 SG CYS A 22 -3.669 -1.577 10.531 1.00 31.53 S ATOM 0 H CYS A 22 -3.876 1.228 7.014 1.00 32.11 H new ATOM 0 HA CYS A 22 -1.859 0.425 9.106 1.00 11.35 H new ATOM 0 HB2 CYS A 22 -4.091 0.767 10.103 1.00 35.41 H new ATOM 0 HB3 CYS A 22 -4.828 -0.244 8.877 1.00 35.41 H new ATOM 0 HG CYS A 22 -4.707 -1.743 11.295 1.00 31.53 H new ATOM 321 N VAL A 23 -1.805 -1.944 7.975 1.00 32.10 N ATOM 322 CA VAL A 23 -1.325 -2.926 7.060 1.00 4.34 C ATOM 323 C VAL A 23 -1.223 -4.224 7.807 1.00 15.24 C ATOM 324 O VAL A 23 -1.366 -4.264 9.024 1.00 3.21 O ATOM 325 CB VAL A 23 0.046 -2.575 6.483 1.00 11.15 C ATOM 326 CG1 VAL A 23 -0.153 -1.542 5.343 1.00 74.35 C ATOM 327 CG2 VAL A 23 0.974 -2.060 7.614 1.00 14.34 C ATOM 0 H VAL A 23 -1.511 -2.077 8.942 1.00 32.10 H new ATOM 0 HA VAL A 23 -2.017 -2.985 6.220 1.00 4.34 H new ATOM 0 HB VAL A 23 0.534 -3.452 6.058 1.00 11.15 H new ATOM 0 HG11 VAL A 23 0.815 -1.278 4.918 1.00 74.35 H new ATOM 0 HG12 VAL A 23 -0.785 -1.974 4.567 1.00 74.35 H new ATOM 0 HG13 VAL A 23 -0.630 -0.647 5.742 1.00 74.35 H new ATOM 0 HG21 VAL A 23 1.950 -1.811 7.198 1.00 14.34 H new ATOM 0 HG22 VAL A 23 0.536 -1.171 8.068 1.00 14.34 H new ATOM 0 HG23 VAL A 23 1.089 -2.835 8.371 1.00 14.34 H new ATOM 337 N THR A 24 -0.993 -5.316 7.064 1.00 22.12 N ATOM 338 CA THR A 24 -0.822 -6.609 7.654 1.00 1.20 C ATOM 339 C THR A 24 -0.170 -7.443 6.578 1.00 55.44 C ATOM 340 O THR A 24 -0.120 -7.029 5.427 1.00 21.02 O ATOM 341 CB THR A 24 -2.140 -7.248 8.145 1.00 34.45 C ATOM 342 OG1 THR A 24 -1.928 -8.502 8.800 1.00 50.30 O ATOM 343 CG2 THR A 24 -3.141 -7.406 6.974 1.00 13.00 C ATOM 0 H THR A 24 -0.924 -5.306 6.046 1.00 22.12 H new ATOM 0 HA THR A 24 -0.217 -6.539 8.558 1.00 1.20 H new ATOM 0 HB THR A 24 -2.566 -6.570 8.884 1.00 34.45 H new ATOM 0 HG1 THR A 24 -2.789 -8.867 9.094 1.00 50.30 H new ATOM 0 HG21 THR A 24 -4.062 -7.858 7.341 1.00 13.00 H new ATOM 0 HG22 THR A 24 -3.361 -6.427 6.549 1.00 13.00 H new ATOM 0 HG23 THR A 24 -2.705 -8.045 6.206 1.00 13.00 H new ATOM 351 N GLY A 25 0.369 -8.618 6.954 1.00 24.15 N ATOM 352 CA GLY A 25 1.072 -9.474 6.007 1.00 42.34 C ATOM 353 C GLY A 25 2.468 -8.947 5.891 1.00 3.10 C ATOM 354 O GLY A 25 2.975 -8.313 6.816 1.00 32.32 O ATOM 0 H GLY A 25 0.326 -8.986 7.904 1.00 24.15 H new ATOM 0 HA2 GLY A 25 1.078 -10.508 6.353 1.00 42.34 H new ATOM 0 HA3 GLY A 25 0.575 -9.465 5.037 1.00 42.34 H new ATOM 358 N GLY A 26 3.119 -9.169 4.737 1.00 73.22 N ATOM 359 CA GLY A 26 4.419 -8.586 4.495 1.00 43.25 C ATOM 360 C GLY A 26 5.404 -9.670 4.307 1.00 61.44 C ATOM 361 O GLY A 26 5.803 -9.963 3.182 1.00 12.35 O ATOM 0 H GLY A 26 2.759 -9.743 3.975 1.00 73.22 H new ATOM 0 HA2 GLY A 26 4.387 -7.949 3.611 1.00 43.25 H new ATOM 0 HA3 GLY A 26 4.710 -7.954 5.334 1.00 43.25 H new ATOM 365 N VAL A 27 5.849 -10.271 5.443 1.00 32.20 N ATOM 366 CA VAL A 27 6.995 -11.203 5.505 1.00 42.34 C ATOM 367 C VAL A 27 6.700 -12.540 4.771 1.00 1.13 C ATOM 368 O VAL A 27 7.376 -13.537 4.981 1.00 30.15 O ATOM 369 CB VAL A 27 7.451 -11.488 6.943 1.00 22.12 C ATOM 370 CG1 VAL A 27 8.965 -11.754 6.929 1.00 72.22 C ATOM 371 CG2 VAL A 27 7.064 -10.293 7.849 1.00 21.00 C ATOM 0 H VAL A 27 5.412 -10.116 6.351 1.00 32.20 H new ATOM 0 HA VAL A 27 7.810 -10.695 4.990 1.00 42.34 H new ATOM 0 HB VAL A 27 6.958 -12.371 7.349 1.00 22.12 H new ATOM 0 HG11 VAL A 27 9.308 -11.959 7.943 1.00 72.22 H new ATOM 0 HG12 VAL A 27 9.177 -12.614 6.294 1.00 72.22 H new ATOM 0 HG13 VAL A 27 9.485 -10.878 6.540 1.00 72.22 H new ATOM 0 HG21 VAL A 27 7.386 -10.492 8.871 1.00 21.00 H new ATOM 0 HG22 VAL A 27 7.550 -9.388 7.485 1.00 21.00 H new ATOM 0 HG23 VAL A 27 5.983 -10.157 7.830 1.00 21.00 H new ATOM 381 N ASN A 28 5.655 -12.550 3.929 1.00 62.42 N ATOM 382 CA ASN A 28 5.223 -13.721 3.104 1.00 4.04 C ATOM 383 C ASN A 28 4.401 -14.640 3.986 1.00 4.31 C ATOM 384 O ASN A 28 3.952 -15.701 3.567 1.00 23.24 O ATOM 385 CB ASN A 28 6.393 -14.514 2.403 1.00 65.42 C ATOM 386 CG ASN A 28 5.831 -15.485 1.341 1.00 42.43 C ATOM 387 OD1 ASN A 28 5.682 -16.682 1.595 1.00 24.11 O ATOM 388 ND2 ASN A 28 5.524 -14.972 0.131 1.00 32.30 N ATOM 0 H ASN A 28 5.064 -11.731 3.790 1.00 62.42 H new ATOM 0 HA ASN A 28 4.635 -13.328 2.274 1.00 4.04 H new ATOM 0 HB2 ASN A 28 7.084 -13.814 1.934 1.00 65.42 H new ATOM 0 HB3 ASN A 28 6.960 -15.071 3.149 1.00 65.42 H new ATOM 0 HD21 ASN A 28 5.158 -15.579 -0.602 1.00 32.30 H new ATOM 0 HD22 ASN A 28 5.658 -13.977 -0.050 1.00 32.30 H new ATOM 395 N THR A 29 4.166 -14.162 5.210 1.00 20.13 N ATOM 396 CA THR A 29 3.243 -14.722 6.186 1.00 30.00 C ATOM 397 C THR A 29 1.833 -15.017 5.597 1.00 50.32 C ATOM 398 O THR A 29 1.618 -14.992 4.393 1.00 4.03 O ATOM 399 CB THR A 29 3.144 -13.841 7.422 1.00 55.33 C ATOM 400 OG1 THR A 29 2.836 -12.482 7.057 1.00 70.45 O ATOM 401 CG2 THR A 29 4.518 -13.868 8.105 1.00 52.55 C ATOM 0 H THR A 29 4.642 -13.331 5.560 1.00 20.13 H new ATOM 0 HA THR A 29 3.662 -15.684 6.480 1.00 30.00 H new ATOM 0 HB THR A 29 2.355 -14.207 8.078 1.00 55.33 H new ATOM 0 HG1 THR A 29 2.775 -11.932 7.866 1.00 70.45 H new ATOM 0 HG21 THR A 29 4.492 -13.246 9.000 1.00 52.55 H new ATOM 0 HG22 THR A 29 4.767 -14.893 8.382 1.00 52.55 H new ATOM 0 HG23 THR A 29 5.273 -13.484 7.419 1.00 52.55 H new ATOM 409 N SER A 30 0.890 -15.356 6.520 1.00 30.12 N ATOM 410 CA SER A 30 -0.460 -15.888 6.272 1.00 44.40 C ATOM 411 C SER A 30 -1.118 -15.408 4.980 1.00 21.44 C ATOM 412 O SER A 30 -1.773 -16.195 4.293 1.00 64.12 O ATOM 413 CB SER A 30 -1.392 -15.526 7.437 1.00 4.03 C ATOM 414 OG SER A 30 -0.749 -15.831 8.692 1.00 33.05 O ATOM 0 H SER A 30 1.075 -15.254 7.518 1.00 30.12 H new ATOM 0 HA SER A 30 -0.317 -16.964 6.176 1.00 44.40 H new ATOM 0 HB2 SER A 30 -1.645 -14.467 7.396 1.00 4.03 H new ATOM 0 HB3 SER A 30 -2.326 -16.081 7.353 1.00 4.03 H new ATOM 0 HG SER A 30 -1.347 -15.596 9.432 1.00 33.05 H new ATOM 420 N VAL A 31 -0.999 -14.107 4.649 1.00 12.24 N ATOM 421 CA VAL A 31 -1.730 -13.564 3.525 1.00 45.03 C ATOM 422 C VAL A 31 -1.278 -14.251 2.222 1.00 44.20 C ATOM 423 O VAL A 31 -0.090 -14.503 1.997 1.00 12.44 O ATOM 424 CB VAL A 31 -1.643 -12.060 3.404 1.00 21.13 C ATOM 425 CG1 VAL A 31 -2.351 -11.438 4.631 1.00 62.22 C ATOM 426 CG2 VAL A 31 -0.165 -11.641 3.296 1.00 12.54 C ATOM 0 H VAL A 31 -0.411 -13.436 5.144 1.00 12.24 H new ATOM 0 HA VAL A 31 -2.783 -13.778 3.708 1.00 45.03 H new ATOM 0 HB VAL A 31 -2.141 -11.700 2.504 1.00 21.13 H new ATOM 0 HG11 VAL A 31 -2.302 -10.351 4.567 1.00 62.22 H new ATOM 0 HG12 VAL A 31 -3.394 -11.754 4.648 1.00 62.22 H new ATOM 0 HG13 VAL A 31 -1.856 -11.771 5.544 1.00 62.22 H new ATOM 0 HG21 VAL A 31 -0.100 -10.556 3.209 1.00 12.54 H new ATOM 0 HG22 VAL A 31 0.371 -11.966 4.187 1.00 12.54 H new ATOM 0 HG23 VAL A 31 0.281 -12.103 2.415 1.00 12.54 H new ATOM 436 N ARG A 32 -2.283 -14.624 1.398 1.00 61.54 N ATOM 437 CA ARG A 32 -2.089 -15.494 0.228 1.00 33.42 C ATOM 438 C ARG A 32 -0.982 -14.989 -0.696 1.00 32.12 C ATOM 439 O ARG A 32 -0.096 -15.746 -1.064 1.00 24.13 O ATOM 440 CB ARG A 32 -3.387 -15.776 -0.590 1.00 60.31 C ATOM 441 CG ARG A 32 -4.121 -14.530 -1.122 1.00 32.34 C ATOM 442 CD ARG A 32 -5.404 -14.862 -1.901 1.00 73.12 C ATOM 443 NE ARG A 32 -5.022 -15.634 -3.134 1.00 1.11 N ATOM 444 CZ ARG A 32 -5.975 -16.096 -4.026 1.00 33.34 C ATOM 445 NH1 ARG A 32 -7.316 -15.900 -3.791 1.00 24.31 N ATOM 446 NH2 ARG A 32 -5.572 -16.753 -5.146 1.00 0.14 N ATOM 0 H ARG A 32 -3.250 -14.327 1.530 1.00 61.54 H new ATOM 0 HA ARG A 32 -1.781 -16.447 0.657 1.00 33.42 H new ATOM 0 HB2 ARG A 32 -3.131 -16.414 -1.436 1.00 60.31 H new ATOM 0 HB3 ARG A 32 -4.076 -16.341 0.038 1.00 60.31 H new ATOM 0 HG2 ARG A 32 -4.372 -13.880 -0.284 1.00 32.34 H new ATOM 0 HG3 ARG A 32 -3.447 -13.969 -1.769 1.00 32.34 H new ATOM 0 HD2 ARG A 32 -6.083 -15.448 -1.282 1.00 73.12 H new ATOM 0 HD3 ARG A 32 -5.930 -13.947 -2.174 1.00 73.12 H new ATOM 0 HE ARG A 32 -4.036 -15.822 -3.318 1.00 1.11 H new ATOM 0 HH11 ARG A 32 -7.620 -15.409 -2.950 1.00 24.31 H new ATOM 0 HH12 ARG A 32 -8.006 -16.246 -4.457 1.00 24.31 H new ATOM 0 HH21 ARG A 32 -4.578 -16.900 -5.321 1.00 0.14 H new ATOM 0 HH22 ARG A 32 -6.264 -17.099 -5.811 1.00 0.14 H new ATOM 460 N HIS A 33 -1.007 -13.699 -1.089 1.00 12.34 N ATOM 461 CA HIS A 33 -0.029 -13.188 -2.063 1.00 74.10 C ATOM 462 C HIS A 33 1.186 -12.663 -1.348 1.00 31.45 C ATOM 463 O HIS A 33 1.980 -11.947 -1.941 1.00 74.12 O ATOM 464 CB HIS A 33 -0.564 -12.099 -3.018 1.00 11.02 C ATOM 465 CG HIS A 33 -1.462 -12.683 -4.066 1.00 3.04 C ATOM 466 ND1 HIS A 33 -2.116 -11.925 -4.993 1.00 11.30 N ATOM 467 CD2 HIS A 33 -1.711 -13.973 -4.361 1.00 51.32 C ATOM 468 CE1 HIS A 33 -2.741 -12.740 -5.825 1.00 12.33 C ATOM 469 NE2 HIS A 33 -2.504 -13.989 -5.456 1.00 20.25 N ATOM 0 H HIS A 33 -1.679 -13.008 -0.754 1.00 12.34 H new ATOM 0 HA HIS A 33 0.217 -14.044 -2.691 1.00 74.10 H new ATOM 0 HB2 HIS A 33 -1.110 -11.348 -2.447 1.00 11.02 H new ATOM 0 HB3 HIS A 33 0.273 -11.590 -3.496 1.00 11.02 H new ATOM 0 HD1 HIS A 33 -2.122 -10.906 -5.036 1.00 11.30 H new ATOM 0 HD2 HIS A 33 -1.345 -14.835 -3.823 1.00 51.32 H new ATOM 0 HE1 HIS A 33 -3.345 -12.437 -6.667 1.00 12.33 H new ATOM 478 N GLY A 34 1.360 -13.048 -0.047 1.00 61.00 N ATOM 479 CA GLY A 34 2.570 -12.744 0.747 1.00 72.33 C ATOM 480 C GLY A 34 3.033 -11.337 0.513 1.00 45.23 C ATOM 481 O GLY A 34 4.126 -11.106 -0.009 1.00 23.40 O ATOM 0 H GLY A 34 0.659 -13.578 0.471 1.00 61.00 H new ATOM 0 HA2 GLY A 34 2.359 -12.889 1.807 1.00 72.33 H new ATOM 0 HA3 GLY A 34 3.366 -13.440 0.483 1.00 72.33 H new ATOM 485 N GLY A 35 2.207 -10.381 0.865 1.00 35.42 N ATOM 486 CA GLY A 35 2.471 -9.021 0.550 1.00 70.13 C ATOM 487 C GLY A 35 1.883 -8.279 1.655 1.00 50.22 C ATOM 488 O GLY A 35 1.331 -8.875 2.565 1.00 2.25 O ATOM 0 H GLY A 35 1.338 -10.536 1.376 1.00 35.42 H new ATOM 0 HA2 GLY A 35 3.541 -8.832 0.468 1.00 70.13 H new ATOM 0 HA3 GLY A 35 2.023 -8.738 -0.403 1.00 70.13 H new ATOM 492 N ILE A 36 1.992 -6.961 1.617 1.00 1.23 N ATOM 493 CA ILE A 36 1.403 -6.140 2.599 1.00 25.31 C ATOM 494 C ILE A 36 0.048 -5.859 2.113 1.00 14.52 C ATOM 495 O ILE A 36 -0.127 -5.416 0.988 1.00 52.50 O ATOM 496 CB ILE A 36 2.169 -4.853 2.766 1.00 4.14 C ATOM 497 CG1 ILE A 36 3.382 -5.156 3.595 1.00 32.14 C ATOM 498 CG2 ILE A 36 1.280 -3.758 3.375 1.00 73.14 C ATOM 499 CD1 ILE A 36 3.044 -5.456 5.032 1.00 61.43 C ATOM 0 H ILE A 36 2.498 -6.453 0.892 1.00 1.23 H new ATOM 0 HA ILE A 36 1.400 -6.631 3.572 1.00 25.31 H new ATOM 0 HB ILE A 36 2.489 -4.458 1.802 1.00 4.14 H new ATOM 0 HG12 ILE A 36 3.908 -6.008 3.164 1.00 32.14 H new ATOM 0 HG13 ILE A 36 4.065 -4.307 3.556 1.00 32.14 H new ATOM 0 HG21 ILE A 36 1.857 -2.840 3.485 1.00 73.14 H new ATOM 0 HG22 ILE A 36 0.428 -3.575 2.720 1.00 73.14 H new ATOM 0 HG23 ILE A 36 0.923 -4.081 4.353 1.00 73.14 H new ATOM 0 HD11 ILE A 36 3.959 -5.668 5.585 1.00 61.43 H new ATOM 0 HD12 ILE A 36 2.543 -4.595 5.475 1.00 61.43 H new ATOM 0 HD13 ILE A 36 2.384 -6.322 5.077 1.00 61.43 H new ATOM 511 N TYR A 37 -0.951 -6.151 2.943 1.00 33.14 N ATOM 512 CA TYR A 37 -2.328 -5.966 2.563 1.00 45.34 C ATOM 513 C TYR A 37 -2.768 -4.821 3.379 1.00 54.42 C ATOM 514 O TYR A 37 -2.232 -4.594 4.463 1.00 31.51 O ATOM 515 CB TYR A 37 -3.272 -7.161 2.955 1.00 64.52 C ATOM 516 CG TYR A 37 -3.146 -8.310 1.965 1.00 24.42 C ATOM 517 CD1 TYR A 37 -1.882 -8.813 1.548 1.00 51.00 C ATOM 518 CD2 TYR A 37 -4.315 -8.927 1.455 1.00 4.13 C ATOM 519 CE1 TYR A 37 -1.800 -9.871 0.626 1.00 41.54 C ATOM 520 CE2 TYR A 37 -4.224 -9.995 0.546 1.00 41.52 C ATOM 521 CZ TYR A 37 -2.971 -10.454 0.121 1.00 20.23 C ATOM 522 OH TYR A 37 -2.884 -11.499 -0.813 1.00 13.13 O ATOM 0 H TYR A 37 -0.820 -6.518 3.886 1.00 33.14 H new ATOM 0 HA TYR A 37 -2.386 -5.853 1.480 1.00 45.34 H new ATOM 0 HB2 TYR A 37 -3.022 -7.511 3.956 1.00 64.52 H new ATOM 0 HB3 TYR A 37 -4.306 -6.816 2.986 1.00 64.52 H new ATOM 0 HD1 TYR A 37 -0.976 -8.378 1.944 1.00 51.00 H new ATOM 0 HD2 TYR A 37 -5.286 -8.573 1.768 1.00 4.13 H new ATOM 0 HE1 TYR A 37 -0.835 -10.235 0.306 1.00 41.54 H new ATOM 0 HE2 TYR A 37 -5.123 -10.463 0.174 1.00 41.52 H new ATOM 0 HH TYR A 37 -3.786 -11.792 -1.061 1.00 13.13 H new ATOM 532 N VAL A 38 -3.758 -4.069 2.895 1.00 11.14 N ATOM 533 CA VAL A 38 -4.284 -2.975 3.651 1.00 52.44 C ATOM 534 C VAL A 38 -5.275 -3.570 4.637 1.00 72.41 C ATOM 535 O VAL A 38 -6.383 -3.987 4.266 1.00 52.30 O ATOM 536 CB VAL A 38 -4.973 -1.934 2.781 1.00 13.55 C ATOM 537 CG1 VAL A 38 -5.503 -0.797 3.673 1.00 21.12 C ATOM 538 CG2 VAL A 38 -3.948 -1.440 1.730 1.00 75.20 C ATOM 0 H VAL A 38 -4.197 -4.211 1.986 1.00 11.14 H new ATOM 0 HA VAL A 38 -3.468 -2.452 4.150 1.00 52.44 H new ATOM 0 HB VAL A 38 -5.832 -2.350 2.254 1.00 13.55 H new ATOM 0 HG11 VAL A 38 -5.997 -0.049 3.053 1.00 21.12 H new ATOM 0 HG12 VAL A 38 -6.215 -1.201 4.392 1.00 21.12 H new ATOM 0 HG13 VAL A 38 -4.672 -0.335 4.206 1.00 21.12 H new ATOM 0 HG21 VAL A 38 -4.415 -0.691 1.090 1.00 75.20 H new ATOM 0 HG22 VAL A 38 -3.090 -1.000 2.238 1.00 75.20 H new ATOM 0 HG23 VAL A 38 -3.617 -2.281 1.121 1.00 75.20 H new ATOM 548 N LYS A 39 -4.845 -3.658 5.920 1.00 64.41 N ATOM 549 CA LYS A 39 -5.651 -4.283 6.971 1.00 22.10 C ATOM 550 C LYS A 39 -6.825 -3.397 7.269 1.00 23.10 C ATOM 551 O LYS A 39 -7.904 -3.879 7.609 1.00 64.43 O ATOM 552 CB LYS A 39 -4.879 -4.447 8.320 1.00 10.33 C ATOM 553 CG LYS A 39 -5.555 -5.441 9.298 1.00 31.52 C ATOM 554 CD LYS A 39 -5.179 -5.259 10.786 1.00 32.22 C ATOM 555 CE LYS A 39 -3.669 -5.240 11.101 1.00 25.44 C ATOM 556 NZ LYS A 39 -3.440 -5.126 12.559 1.00 22.31 N ATOM 0 H LYS A 39 -3.945 -3.302 6.241 1.00 64.41 H new ATOM 0 HA LYS A 39 -5.934 -5.268 6.600 1.00 22.10 H new ATOM 0 HB2 LYS A 39 -3.865 -4.787 8.111 1.00 10.33 H new ATOM 0 HB3 LYS A 39 -4.795 -3.473 8.803 1.00 10.33 H new ATOM 0 HG2 LYS A 39 -6.636 -5.345 9.199 1.00 31.52 H new ATOM 0 HG3 LYS A 39 -5.296 -6.456 8.996 1.00 31.52 H new ATOM 0 HD2 LYS A 39 -5.616 -4.325 11.140 1.00 32.22 H new ATOM 0 HD3 LYS A 39 -5.640 -6.064 11.358 1.00 32.22 H new ATOM 0 HE2 LYS A 39 -3.202 -6.150 10.725 1.00 25.44 H new ATOM 0 HE3 LYS A 39 -3.196 -4.403 10.587 1.00 25.44 H new ATOM 0 HZ1 LYS A 39 -2.418 -5.115 12.750 1.00 22.31 H new ATOM 0 HZ2 LYS A 39 -3.867 -4.245 12.910 1.00 22.31 H new ATOM 0 HZ3 LYS A 39 -3.874 -5.938 13.043 1.00 22.31 H new ATOM 570 N ALA A 40 -6.644 -2.091 7.131 1.00 20.15 N ATOM 571 CA ALA A 40 -7.710 -1.190 7.418 1.00 52.22 C ATOM 572 C ALA A 40 -7.379 0.047 6.718 1.00 32.31 C ATOM 573 O ALA A 40 -6.202 0.405 6.604 1.00 51.34 O ATOM 574 CB ALA A 40 -7.865 -0.841 8.915 1.00 63.25 C ATOM 0 H ALA A 40 -5.775 -1.653 6.825 1.00 20.15 H new ATOM 0 HA ALA A 40 -8.644 -1.661 7.111 1.00 52.22 H new ATOM 0 HB1 ALA A 40 -8.699 -0.151 9.043 1.00 63.25 H new ATOM 0 HB2 ALA A 40 -8.057 -1.751 9.483 1.00 63.25 H new ATOM 0 HB3 ALA A 40 -6.949 -0.374 9.277 1.00 63.25 H new ATOM 580 N VAL A 41 -8.400 0.746 6.241 1.00 72.32 N ATOM 581 CA VAL A 41 -8.222 2.031 5.680 1.00 35.42 C ATOM 582 C VAL A 41 -8.767 2.921 6.743 1.00 64.41 C ATOM 583 O VAL A 41 -9.913 2.756 7.160 1.00 73.04 O ATOM 584 CB VAL A 41 -9.041 2.251 4.402 1.00 62.24 C ATOM 585 CG1 VAL A 41 -8.730 3.654 3.825 1.00 31.13 C ATOM 586 CG2 VAL A 41 -8.721 1.114 3.410 1.00 62.34 C ATOM 0 H VAL A 41 -9.366 0.417 6.243 1.00 72.32 H new ATOM 0 HA VAL A 41 -7.183 2.201 5.399 1.00 35.42 H new ATOM 0 HB VAL A 41 -10.111 2.222 4.609 1.00 62.24 H new ATOM 0 HG11 VAL A 41 -9.312 3.811 2.917 1.00 31.13 H new ATOM 0 HG12 VAL A 41 -8.991 4.416 4.560 1.00 31.13 H new ATOM 0 HG13 VAL A 41 -7.668 3.724 3.592 1.00 31.13 H new ATOM 0 HG21 VAL A 41 -9.296 1.257 2.495 1.00 62.34 H new ATOM 0 HG22 VAL A 41 -7.657 1.125 3.175 1.00 62.34 H new ATOM 0 HG23 VAL A 41 -8.983 0.156 3.858 1.00 62.34 H new ATOM 596 N ILE A 42 -7.960 3.854 7.245 1.00 73.13 N ATOM 597 CA ILE A 42 -8.429 4.778 8.244 1.00 22.03 C ATOM 598 C ILE A 42 -9.249 5.816 7.503 1.00 54.41 C ATOM 599 O ILE A 42 -8.974 6.118 6.330 1.00 43.14 O ATOM 600 CB ILE A 42 -7.300 5.450 9.059 1.00 72.23 C ATOM 601 CG1 ILE A 42 -6.498 6.514 8.249 1.00 33.44 C ATOM 602 CG2 ILE A 42 -6.407 4.328 9.640 1.00 44.23 C ATOM 603 CD1 ILE A 42 -5.844 5.967 6.996 1.00 62.22 C ATOM 0 H ILE A 42 -6.986 3.980 6.970 1.00 73.13 H new ATOM 0 HA ILE A 42 -9.014 4.237 8.988 1.00 22.03 H new ATOM 0 HB ILE A 42 -7.738 6.029 9.872 1.00 72.23 H new ATOM 0 HG12 ILE A 42 -7.169 7.327 7.972 1.00 33.44 H new ATOM 0 HG13 ILE A 42 -5.728 6.941 8.892 1.00 33.44 H new ATOM 0 HG21 ILE A 42 -5.599 4.771 10.222 1.00 44.23 H new ATOM 0 HG22 ILE A 42 -7.006 3.683 10.283 1.00 44.23 H new ATOM 0 HG23 ILE A 42 -5.987 3.739 8.825 1.00 44.23 H new ATOM 0 HD11 ILE A 42 -5.305 6.767 6.488 1.00 62.22 H new ATOM 0 HD12 ILE A 42 -5.146 5.174 7.266 1.00 62.22 H new ATOM 0 HD13 ILE A 42 -6.609 5.566 6.332 1.00 62.22 H new ATOM 615 N PRO A 43 -10.302 6.335 8.135 1.00 34.14 N ATOM 616 CA PRO A 43 -11.166 7.280 7.490 1.00 70.13 C ATOM 617 C PRO A 43 -10.464 8.572 7.481 1.00 10.23 C ATOM 618 O PRO A 43 -9.429 8.716 8.174 1.00 13.53 O ATOM 619 CB PRO A 43 -12.353 7.411 8.439 1.00 20.32 C ATOM 620 CG PRO A 43 -11.706 7.229 9.800 1.00 4.42 C ATOM 621 CD PRO A 43 -10.695 6.084 9.525 1.00 72.41 C ATOM 0 HA PRO A 43 -11.452 6.990 6.479 1.00 70.13 H new ATOM 0 HB2 PRO A 43 -12.840 8.382 8.348 1.00 20.32 H new ATOM 0 HB3 PRO A 43 -13.113 6.653 8.246 1.00 20.32 H new ATOM 0 HG2 PRO A 43 -11.210 8.138 10.141 1.00 4.42 H new ATOM 0 HG3 PRO A 43 -12.433 6.956 10.565 1.00 4.42 H new ATOM 0 HD2 PRO A 43 -9.842 6.125 10.202 1.00 72.41 H new ATOM 0 HD3 PRO A 43 -11.151 5.102 9.647 1.00 72.41 H new ATOM 629 N GLN A 44 -11.059 9.544 6.803 1.00 2.35 N ATOM 630 CA GLN A 44 -10.691 10.910 6.951 1.00 62.13 C ATOM 631 C GLN A 44 -9.270 11.065 6.485 1.00 61.35 C ATOM 632 O GLN A 44 -8.394 11.545 7.222 1.00 4.40 O ATOM 633 CB GLN A 44 -10.841 11.404 8.416 1.00 55.41 C ATOM 634 CG GLN A 44 -11.020 12.929 8.511 1.00 62.40 C ATOM 635 CD GLN A 44 -11.247 13.301 9.968 1.00 72.22 C ATOM 636 OE1 GLN A 44 -10.654 12.704 10.869 1.00 30.53 O ATOM 637 NE2 GLN A 44 -12.113 14.288 10.218 1.00 72.32 N ATOM 0 H GLN A 44 -11.814 9.386 6.135 1.00 2.35 H new ATOM 0 HA GLN A 44 -11.362 11.523 6.349 1.00 62.13 H new ATOM 0 HB2 GLN A 44 -11.698 10.912 8.875 1.00 55.41 H new ATOM 0 HB3 GLN A 44 -9.961 11.109 8.987 1.00 55.41 H new ATOM 0 HG2 GLN A 44 -10.138 13.438 8.124 1.00 62.40 H new ATOM 0 HG3 GLN A 44 -11.866 13.249 7.903 1.00 62.40 H new ATOM 0 HE21 GLN A 44 -12.585 14.760 9.447 1.00 72.32 H new ATOM 0 HE22 GLN A 44 -12.301 14.570 11.180 1.00 72.32 H new ATOM 646 N GLY A 45 -8.987 10.627 5.265 1.00 53.23 N ATOM 647 CA GLY A 45 -7.634 10.596 4.843 1.00 11.54 C ATOM 648 C GLY A 45 -7.652 10.519 3.379 1.00 75.25 C ATOM 649 O GLY A 45 -8.710 10.444 2.761 1.00 72.15 O ATOM 0 H GLY A 45 -9.671 10.301 4.582 1.00 53.23 H new ATOM 0 HA2 GLY A 45 -7.104 11.488 5.177 1.00 11.54 H new ATOM 0 HA3 GLY A 45 -7.115 9.738 5.270 1.00 11.54 H new ATOM 653 N ALA A 46 -6.449 10.554 2.796 1.00 62.40 N ATOM 654 CA ALA A 46 -6.279 10.614 1.362 1.00 5.34 C ATOM 655 C ALA A 46 -6.705 9.305 0.774 1.00 41.03 C ATOM 656 O ALA A 46 -7.505 9.272 -0.128 1.00 14.44 O ATOM 657 CB ALA A 46 -4.823 10.860 0.942 1.00 42.52 C ATOM 0 H ALA A 46 -5.572 10.541 3.316 1.00 62.40 H new ATOM 0 HA ALA A 46 -6.882 11.448 1.002 1.00 5.34 H new ATOM 0 HB1 ALA A 46 -4.759 10.895 -0.146 1.00 42.52 H new ATOM 0 HB2 ALA A 46 -4.480 11.808 1.356 1.00 42.52 H new ATOM 0 HB3 ALA A 46 -4.195 10.052 1.317 1.00 42.52 H new ATOM 663 N ALA A 47 -6.141 8.193 1.298 1.00 62.44 N ATOM 664 CA ALA A 47 -6.374 6.862 0.729 1.00 31.30 C ATOM 665 C ALA A 47 -7.864 6.584 0.614 1.00 1.13 C ATOM 666 O ALA A 47 -8.345 6.187 -0.461 1.00 23.43 O ATOM 667 CB ALA A 47 -5.718 5.733 1.546 1.00 71.25 C ATOM 0 H ALA A 47 -5.525 8.199 2.111 1.00 62.44 H new ATOM 0 HA ALA A 47 -5.911 6.871 -0.258 1.00 31.30 H new ATOM 0 HB1 ALA A 47 -5.927 4.773 1.073 1.00 71.25 H new ATOM 0 HB2 ALA A 47 -4.640 5.891 1.585 1.00 71.25 H new ATOM 0 HB3 ALA A 47 -6.122 5.735 2.558 1.00 71.25 H new ATOM 673 N GLU A 48 -8.631 6.815 1.702 1.00 73.12 N ATOM 674 CA GLU A 48 -10.078 6.632 1.676 1.00 70.12 C ATOM 675 C GLU A 48 -10.699 7.533 0.627 1.00 25.21 C ATOM 676 O GLU A 48 -11.389 7.050 -0.281 1.00 33.12 O ATOM 677 CB GLU A 48 -10.739 6.992 3.038 1.00 12.23 C ATOM 678 CG GLU A 48 -12.259 7.183 2.947 1.00 24.00 C ATOM 679 CD GLU A 48 -12.820 7.242 4.324 1.00 22.23 C ATOM 680 OE1 GLU A 48 -12.775 8.334 4.937 1.00 55.51 O ATOM 681 OE2 GLU A 48 -13.327 6.205 4.801 1.00 50.33 O ATOM 0 H GLU A 48 -8.263 7.127 2.601 1.00 73.12 H new ATOM 0 HA GLU A 48 -10.252 5.579 1.453 1.00 70.12 H new ATOM 0 HB2 GLU A 48 -10.522 6.203 3.758 1.00 12.23 H new ATOM 0 HB3 GLU A 48 -10.288 7.907 3.422 1.00 12.23 H new ATOM 0 HG2 GLU A 48 -12.492 8.100 2.405 1.00 24.00 H new ATOM 0 HG3 GLU A 48 -12.710 6.361 2.391 1.00 24.00 H new ATOM 688 N SER A 49 -10.469 8.857 0.745 1.00 30.54 N ATOM 689 CA SER A 49 -11.162 9.842 -0.079 1.00 40.24 C ATOM 690 C SER A 49 -10.818 9.664 -1.535 1.00 21.40 C ATOM 691 O SER A 49 -11.620 9.981 -2.410 1.00 42.04 O ATOM 692 CB SER A 49 -10.802 11.282 0.327 1.00 13.24 C ATOM 693 OG SER A 49 -11.234 11.521 1.677 1.00 1.33 O ATOM 0 H SER A 49 -9.806 9.259 1.407 1.00 30.54 H new ATOM 0 HA SER A 49 -12.228 9.680 0.078 1.00 40.24 H new ATOM 0 HB2 SER A 49 -9.726 11.436 0.245 1.00 13.24 H new ATOM 0 HB3 SER A 49 -11.278 11.992 -0.350 1.00 13.24 H new ATOM 0 HG SER A 49 -10.528 11.247 2.300 1.00 1.33 H new ATOM 699 N ASP A 50 -9.624 9.153 -1.825 1.00 12.00 N ATOM 700 CA ASP A 50 -9.172 9.032 -3.197 1.00 4.15 C ATOM 701 C ASP A 50 -9.911 7.865 -3.808 1.00 32.43 C ATOM 702 O ASP A 50 -10.408 7.942 -4.918 1.00 34.02 O ATOM 703 CB ASP A 50 -7.651 8.788 -3.309 1.00 51.55 C ATOM 704 CG ASP A 50 -7.185 9.174 -4.703 1.00 64.44 C ATOM 705 OD1 ASP A 50 -7.567 8.510 -5.666 1.00 52.53 O ATOM 706 OD2 ASP A 50 -6.430 10.174 -4.830 1.00 30.41 O ATOM 0 H ASP A 50 -8.959 8.819 -1.127 1.00 12.00 H new ATOM 0 HA ASP A 50 -9.375 9.969 -3.716 1.00 4.15 H new ATOM 0 HB2 ASP A 50 -7.120 9.375 -2.559 1.00 51.55 H new ATOM 0 HB3 ASP A 50 -7.423 7.740 -3.113 1.00 51.55 H new ATOM 711 N GLY A 51 -10.075 6.777 -3.026 1.00 13.12 N ATOM 712 CA GLY A 51 -10.870 5.634 -3.482 1.00 32.41 C ATOM 713 C GLY A 51 -10.013 4.712 -4.296 1.00 62.44 C ATOM 714 O GLY A 51 -10.512 3.769 -4.917 1.00 14.14 O ATOM 0 H GLY A 51 -9.673 6.673 -2.094 1.00 13.12 H new ATOM 0 HA2 GLY A 51 -11.282 5.101 -2.625 1.00 32.41 H new ATOM 0 HA3 GLY A 51 -11.714 5.981 -4.078 1.00 32.41 H new ATOM 718 N ARG A 52 -8.696 4.954 -4.301 1.00 13.53 N ATOM 719 CA ARG A 52 -7.768 4.145 -5.068 1.00 41.34 C ATOM 720 C ARG A 52 -7.122 3.174 -4.121 1.00 72.11 C ATOM 721 O ARG A 52 -6.218 2.437 -4.498 1.00 40.14 O ATOM 722 CB ARG A 52 -6.670 4.977 -5.753 1.00 71.54 C ATOM 723 CG ARG A 52 -7.152 5.692 -7.029 1.00 71.32 C ATOM 724 CD ARG A 52 -6.060 6.580 -7.648 1.00 23.02 C ATOM 725 NE ARG A 52 -6.446 6.976 -9.046 1.00 62.35 N ATOM 726 CZ ARG A 52 -7.124 8.150 -9.312 1.00 52.22 C ATOM 727 NH1 ARG A 52 -7.657 8.895 -8.292 1.00 63.10 N ATOM 728 NH2 ARG A 52 -7.254 8.569 -10.606 1.00 50.03 N ATOM 0 H ARG A 52 -8.257 5.710 -3.776 1.00 13.53 H new ATOM 0 HA ARG A 52 -8.326 3.644 -5.859 1.00 41.34 H new ATOM 0 HB2 ARG A 52 -6.295 5.720 -5.049 1.00 71.54 H new ATOM 0 HB3 ARG A 52 -5.834 4.325 -6.005 1.00 71.54 H new ATOM 0 HG2 ARG A 52 -7.471 4.949 -7.760 1.00 71.32 H new ATOM 0 HG3 ARG A 52 -8.024 6.303 -6.793 1.00 71.32 H new ATOM 0 HD2 ARG A 52 -5.915 7.471 -7.037 1.00 23.02 H new ATOM 0 HD3 ARG A 52 -5.110 6.045 -7.662 1.00 23.02 H new ATOM 0 HE ARG A 52 -6.200 6.360 -9.821 1.00 62.35 H new ATOM 0 HH11 ARG A 52 -7.555 8.584 -7.326 1.00 63.10 H new ATOM 0 HH12 ARG A 52 -8.156 9.760 -8.499 1.00 63.10 H new ATOM 0 HH21 ARG A 52 -6.853 8.017 -11.364 1.00 50.03 H new ATOM 0 HH22 ARG A 52 -7.753 9.434 -10.814 1.00 50.03 H new ATOM 742 N ILE A 53 -7.600 3.137 -2.880 1.00 11.13 N ATOM 743 CA ILE A 53 -7.101 2.204 -1.919 1.00 1.11 C ATOM 744 C ILE A 53 -8.346 1.668 -1.294 1.00 11.32 C ATOM 745 O ILE A 53 -9.319 2.406 -1.092 1.00 31.52 O ATOM 746 CB ILE A 53 -6.155 2.798 -0.840 1.00 11.44 C ATOM 747 CG1 ILE A 53 -4.708 2.921 -1.395 1.00 31.31 C ATOM 748 CG2 ILE A 53 -6.170 1.910 0.442 1.00 13.22 C ATOM 749 CD1 ILE A 53 -4.391 4.206 -2.140 1.00 43.55 C ATOM 0 H ILE A 53 -8.335 3.752 -2.532 1.00 11.13 H new ATOM 0 HA ILE A 53 -6.469 1.460 -2.404 1.00 1.11 H new ATOM 0 HB ILE A 53 -6.511 3.794 -0.578 1.00 11.44 H new ATOM 0 HG12 ILE A 53 -4.011 2.825 -0.563 1.00 31.31 H new ATOM 0 HG13 ILE A 53 -4.523 2.081 -2.064 1.00 31.31 H new ATOM 0 HG21 ILE A 53 -5.502 2.339 1.189 1.00 13.22 H new ATOM 0 HG22 ILE A 53 -7.183 1.866 0.843 1.00 13.22 H new ATOM 0 HG23 ILE A 53 -5.835 0.903 0.191 1.00 13.22 H new ATOM 0 HD11 ILE A 53 -3.356 4.183 -2.482 1.00 43.55 H new ATOM 0 HD12 ILE A 53 -5.055 4.302 -2.999 1.00 43.55 H new ATOM 0 HD13 ILE A 53 -4.534 5.057 -1.474 1.00 43.55 H new ATOM 761 N HIS A 54 -8.344 0.363 -1.021 1.00 5.22 N ATOM 762 CA HIS A 54 -9.454 -0.293 -0.409 1.00 44.21 C ATOM 763 C HIS A 54 -8.852 -1.247 0.525 1.00 70.51 C ATOM 764 O HIS A 54 -7.690 -1.624 0.373 1.00 63.40 O ATOM 765 CB HIS A 54 -10.317 -1.119 -1.385 1.00 74.41 C ATOM 766 CG HIS A 54 -11.075 -0.273 -2.352 1.00 61.10 C ATOM 767 ND1 HIS A 54 -11.551 0.979 -2.220 1.00 61.54 N flip ATOM 768 CD2 HIS A 54 -11.474 -0.737 -3.568 1.00 44.44 C flip ATOM 769 CE1 HIS A 54 -12.226 1.273 -3.359 1.00 53.10 C flip ATOM 770 NE2 HIS A 54 -12.164 0.223 -4.170 1.00 4.42 N flip ATOM 0 H HIS A 54 -7.559 -0.254 -1.227 1.00 5.22 H new ATOM 0 HA HIS A 54 -10.107 0.461 0.031 1.00 44.21 H new ATOM 0 HB2 HIS A 54 -9.675 -1.806 -1.937 1.00 74.41 H new ATOM 0 HB3 HIS A 54 -11.019 -1.727 -0.815 1.00 74.41 H new ATOM 0 HD1 HIS A 54 -11.427 1.592 -1.414 1.00 61.54 H new ATOM 0 HD2 HIS A 54 -11.265 -1.716 -3.972 1.00 44.44 H new ATOM 0 HE1 HIS A 54 -12.729 2.205 -3.571 1.00 53.10 H new ATOM 779 N LYS A 55 -9.634 -1.670 1.524 1.00 30.14 N ATOM 780 CA LYS A 55 -9.216 -2.695 2.436 1.00 5.21 C ATOM 781 C LYS A 55 -9.126 -3.970 1.635 1.00 72.24 C ATOM 782 O LYS A 55 -9.970 -4.227 0.771 1.00 52.02 O ATOM 783 CB LYS A 55 -10.239 -2.907 3.584 1.00 22.13 C ATOM 784 CG LYS A 55 -9.814 -3.936 4.643 1.00 14.02 C ATOM 785 CD LYS A 55 -10.830 -4.085 5.785 1.00 21.44 C ATOM 786 CE LYS A 55 -12.180 -4.692 5.341 1.00 40.15 C ATOM 787 NZ LYS A 55 -13.107 -4.800 6.477 1.00 70.34 N ATOM 0 H LYS A 55 -10.567 -1.302 1.708 1.00 30.14 H new ATOM 0 HA LYS A 55 -8.267 -2.410 2.891 1.00 5.21 H new ATOM 0 HB2 LYS A 55 -10.415 -1.951 4.077 1.00 22.13 H new ATOM 0 HB3 LYS A 55 -11.189 -3.222 3.152 1.00 22.13 H new ATOM 0 HG2 LYS A 55 -9.672 -4.904 4.163 1.00 14.02 H new ATOM 0 HG3 LYS A 55 -8.850 -3.643 5.059 1.00 14.02 H new ATOM 0 HD2 LYS A 55 -10.398 -4.713 6.564 1.00 21.44 H new ATOM 0 HD3 LYS A 55 -11.010 -3.106 6.229 1.00 21.44 H new ATOM 0 HE2 LYS A 55 -12.624 -4.071 4.563 1.00 40.15 H new ATOM 0 HE3 LYS A 55 -12.014 -5.678 4.907 1.00 40.15 H new ATOM 0 HZ1 LYS A 55 -14.006 -5.210 6.153 1.00 70.34 H new ATOM 0 HZ2 LYS A 55 -12.691 -5.411 7.208 1.00 70.34 H new ATOM 0 HZ3 LYS A 55 -13.281 -3.855 6.874 1.00 70.34 H new ATOM 801 N GLY A 56 -8.114 -4.788 1.894 1.00 72.04 N ATOM 802 CA GLY A 56 -8.007 -6.076 1.236 1.00 35.03 C ATOM 803 C GLY A 56 -7.076 -5.945 0.080 1.00 22.42 C ATOM 804 O GLY A 56 -6.358 -6.887 -0.238 1.00 71.34 O ATOM 0 H GLY A 56 -7.362 -4.581 2.551 1.00 72.04 H new ATOM 0 HA2 GLY A 56 -7.639 -6.828 1.934 1.00 35.03 H new ATOM 0 HA3 GLY A 56 -8.987 -6.409 0.896 1.00 35.03 H new ATOM 808 N ASP A 57 -7.042 -4.754 -0.586 1.00 74.03 N ATOM 809 CA ASP A 57 -6.099 -4.541 -1.692 1.00 1.40 C ATOM 810 C ASP A 57 -4.740 -4.538 -1.082 1.00 2.42 C ATOM 811 O ASP A 57 -4.599 -4.318 0.132 1.00 63.45 O ATOM 812 CB ASP A 57 -6.284 -3.197 -2.469 1.00 13.53 C ATOM 813 CG ASP A 57 -7.598 -3.210 -3.251 1.00 50.22 C ATOM 814 OD1 ASP A 57 -8.355 -4.217 -3.190 1.00 33.13 O ATOM 815 OD2 ASP A 57 -7.893 -2.212 -3.925 1.00 33.33 O ATOM 0 H ASP A 57 -7.643 -3.957 -0.375 1.00 74.03 H new ATOM 0 HA ASP A 57 -6.266 -5.330 -2.425 1.00 1.40 H new ATOM 0 HB2 ASP A 57 -6.278 -2.361 -1.769 1.00 13.53 H new ATOM 0 HB3 ASP A 57 -5.448 -3.047 -3.152 1.00 13.53 H new ATOM 820 N ARG A 58 -3.704 -4.854 -1.877 1.00 62.35 N ATOM 821 CA ARG A 58 -2.431 -5.078 -1.298 1.00 42.21 C ATOM 822 C ARG A 58 -1.405 -4.342 -2.074 1.00 20.21 C ATOM 823 O ARG A 58 -1.605 -4.011 -3.223 1.00 43.21 O ATOM 824 CB ARG A 58 -2.078 -6.575 -1.188 1.00 14.41 C ATOM 825 CG ARG A 58 -1.914 -7.355 -2.484 1.00 61.14 C ATOM 826 CD ARG A 58 -0.485 -7.290 -3.056 1.00 32.11 C ATOM 827 NE ARG A 58 -0.389 -8.318 -4.128 1.00 61.05 N ATOM 828 CZ ARG A 58 0.776 -8.948 -4.451 1.00 3.03 C ATOM 829 NH1 ARG A 58 1.927 -8.676 -3.771 1.00 13.22 N ATOM 830 NH2 ARG A 58 0.778 -9.856 -5.462 1.00 64.43 N ATOM 0 H ARG A 58 -3.749 -4.951 -2.891 1.00 62.35 H new ATOM 0 HA ARG A 58 -2.458 -4.703 -0.275 1.00 42.21 H new ATOM 0 HB2 ARG A 58 -1.149 -6.661 -0.624 1.00 14.41 H new ATOM 0 HB3 ARG A 58 -2.855 -7.061 -0.599 1.00 14.41 H new ATOM 0 HG2 ARG A 58 -2.181 -8.397 -2.309 1.00 61.14 H new ATOM 0 HG3 ARG A 58 -2.613 -6.967 -3.225 1.00 61.14 H new ATOM 0 HD2 ARG A 58 -0.276 -6.298 -3.456 1.00 32.11 H new ATOM 0 HD3 ARG A 58 0.251 -7.480 -2.274 1.00 32.11 H new ATOM 0 HE ARG A 58 -1.234 -8.562 -4.645 1.00 61.05 H new ATOM 0 HH11 ARG A 58 1.922 -7.995 -3.012 1.00 13.22 H new ATOM 0 HH12 ARG A 58 2.793 -9.154 -4.022 1.00 13.22 H new ATOM 0 HH21 ARG A 58 -0.084 -10.058 -5.968 1.00 64.43 H new ATOM 0 HH22 ARG A 58 1.642 -10.335 -5.715 1.00 64.43 H new ATOM 844 N VAL A 59 -0.282 -4.052 -1.407 1.00 22.14 N ATOM 845 CA VAL A 59 0.769 -3.274 -1.955 1.00 34.02 C ATOM 846 C VAL A 59 1.740 -4.243 -2.572 1.00 1.25 C ATOM 847 O VAL A 59 2.011 -5.324 -2.015 1.00 24.04 O ATOM 848 CB VAL A 59 1.491 -2.442 -0.888 1.00 60.51 C ATOM 849 CG1 VAL A 59 2.524 -1.514 -1.565 1.00 25.34 C ATOM 850 CG2 VAL A 59 0.424 -1.659 -0.082 1.00 44.14 C ATOM 0 H VAL A 59 -0.101 -4.370 -0.455 1.00 22.14 H new ATOM 0 HA VAL A 59 0.363 -2.570 -2.682 1.00 34.02 H new ATOM 0 HB VAL A 59 2.044 -3.077 -0.196 1.00 60.51 H new ATOM 0 HG11 VAL A 59 3.036 -0.924 -0.805 1.00 25.34 H new ATOM 0 HG12 VAL A 59 3.252 -2.116 -2.109 1.00 25.34 H new ATOM 0 HG13 VAL A 59 2.014 -0.847 -2.260 1.00 25.34 H new ATOM 0 HG21 VAL A 59 0.915 -1.059 0.684 1.00 44.14 H new ATOM 0 HG22 VAL A 59 -0.132 -1.005 -0.754 1.00 44.14 H new ATOM 0 HG23 VAL A 59 -0.262 -2.361 0.391 1.00 44.14 H new ATOM 860 N LEU A 60 2.251 -3.891 -3.748 1.00 61.14 N ATOM 861 CA LEU A 60 3.254 -4.691 -4.420 1.00 30.40 C ATOM 862 C LEU A 60 4.568 -4.047 -4.124 1.00 3.33 C ATOM 863 O LEU A 60 5.459 -4.667 -3.537 1.00 61.41 O ATOM 864 CB LEU A 60 3.079 -4.650 -5.963 1.00 44.12 C ATOM 865 CG LEU A 60 1.902 -5.494 -6.468 1.00 63.24 C ATOM 866 CD1 LEU A 60 1.255 -4.897 -7.706 1.00 51.02 C ATOM 867 CD2 LEU A 60 2.285 -6.963 -6.679 1.00 64.33 C ATOM 0 H LEU A 60 1.980 -3.048 -4.254 1.00 61.14 H new ATOM 0 HA LEU A 60 3.177 -5.724 -4.081 1.00 30.40 H new ATOM 0 HB2 LEU A 60 2.936 -3.616 -6.277 1.00 44.12 H new ATOM 0 HB3 LEU A 60 3.997 -5.002 -6.434 1.00 44.12 H new ATOM 0 HG LEU A 60 1.152 -5.475 -5.677 1.00 63.24 H new ATOM 0 HD11 LEU A 60 0.427 -5.530 -8.025 1.00 51.02 H new ATOM 0 HD12 LEU A 60 0.881 -3.899 -7.476 1.00 51.02 H new ATOM 0 HD13 LEU A 60 1.992 -4.832 -8.506 1.00 51.02 H new ATOM 0 HD21 LEU A 60 1.417 -7.517 -7.037 1.00 64.33 H new ATOM 0 HD22 LEU A 60 3.086 -7.028 -7.415 1.00 64.33 H new ATOM 0 HD23 LEU A 60 2.624 -7.390 -5.735 1.00 64.33 H new ATOM 879 N ALA A 61 4.719 -2.766 -4.517 1.00 54.34 N ATOM 880 CA ALA A 61 5.964 -2.082 -4.316 1.00 55.44 C ATOM 881 C ALA A 61 5.625 -0.732 -3.818 1.00 33.43 C ATOM 882 O ALA A 61 4.562 -0.205 -4.142 1.00 32.05 O ATOM 883 CB ALA A 61 6.764 -1.886 -5.628 1.00 64.12 C ATOM 0 H ALA A 61 3.992 -2.211 -4.967 1.00 54.34 H new ATOM 0 HA ALA A 61 6.574 -2.673 -3.633 1.00 55.44 H new ATOM 0 HB1 ALA A 61 7.696 -1.363 -5.411 1.00 64.12 H new ATOM 0 HB2 ALA A 61 6.987 -2.859 -6.067 1.00 64.12 H new ATOM 0 HB3 ALA A 61 6.173 -1.298 -6.330 1.00 64.12 H new ATOM 889 N VAL A 62 6.541 -0.120 -3.035 1.00 14.30 N ATOM 890 CA VAL A 62 6.368 1.244 -2.616 1.00 62.34 C ATOM 891 C VAL A 62 7.542 1.962 -3.187 1.00 43.31 C ATOM 892 O VAL A 62 8.685 1.613 -2.916 1.00 11.30 O ATOM 893 CB VAL A 62 6.343 1.475 -1.100 1.00 4.23 C ATOM 894 CG1 VAL A 62 6.145 2.989 -0.824 1.00 2.44 C ATOM 895 CG2 VAL A 62 5.224 0.611 -0.498 1.00 53.43 C ATOM 0 H VAL A 62 7.394 -0.565 -2.695 1.00 14.30 H new ATOM 0 HA VAL A 62 5.393 1.590 -2.959 1.00 62.34 H new ATOM 0 HB VAL A 62 7.282 1.181 -0.631 1.00 4.23 H new ATOM 0 HG11 VAL A 62 6.126 3.163 0.252 1.00 2.44 H new ATOM 0 HG12 VAL A 62 6.967 3.550 -1.268 1.00 2.44 H new ATOM 0 HG13 VAL A 62 5.203 3.318 -1.262 1.00 2.44 H new ATOM 0 HG21 VAL A 62 5.189 0.761 0.581 1.00 53.43 H new ATOM 0 HG22 VAL A 62 4.268 0.898 -0.935 1.00 53.43 H new ATOM 0 HG23 VAL A 62 5.420 -0.440 -0.712 1.00 53.43 H new ATOM 905 N ASN A 63 7.246 2.971 -4.019 1.00 34.43 N ATOM 906 CA ASN A 63 8.250 3.840 -4.642 1.00 25.44 C ATOM 907 C ASN A 63 9.310 3.005 -5.361 1.00 41.14 C ATOM 908 O ASN A 63 10.488 3.351 -5.392 1.00 71.20 O ATOM 909 CB ASN A 63 8.928 4.823 -3.644 1.00 33.11 C ATOM 910 CG ASN A 63 9.671 5.914 -4.423 1.00 0.41 C ATOM 911 OD1 ASN A 63 9.165 6.424 -5.431 1.00 74.11 O ATOM 912 ND2 ASN A 63 10.873 6.289 -3.957 1.00 34.01 N ATOM 0 H ASN A 63 6.289 3.208 -4.280 1.00 34.43 H new ATOM 0 HA ASN A 63 7.712 4.454 -5.364 1.00 25.44 H new ATOM 0 HB2 ASN A 63 8.177 5.273 -2.994 1.00 33.11 H new ATOM 0 HB3 ASN A 63 9.623 4.283 -3.001 1.00 33.11 H new ATOM 0 HD21 ASN A 63 11.402 7.017 -4.437 1.00 34.01 H new ATOM 0 HD22 ASN A 63 11.258 5.845 -3.123 1.00 34.01 H new ATOM 919 N GLY A 64 8.879 1.888 -5.974 1.00 33.43 N ATOM 920 CA GLY A 64 9.739 1.141 -6.860 1.00 20.03 C ATOM 921 C GLY A 64 10.304 -0.005 -6.117 1.00 41.10 C ATOM 922 O GLY A 64 10.786 -0.972 -6.722 1.00 75.35 O ATOM 0 H GLY A 64 7.943 1.498 -5.862 1.00 33.43 H new ATOM 0 HA2 GLY A 64 9.177 0.790 -7.725 1.00 20.03 H new ATOM 0 HA3 GLY A 64 10.539 1.779 -7.237 1.00 20.03 H new ATOM 926 N VAL A 65 10.301 0.054 -4.777 1.00 52.55 N ATOM 927 CA VAL A 65 10.920 -0.938 -4.019 1.00 61.40 C ATOM 928 C VAL A 65 9.926 -2.060 -3.838 1.00 13.32 C ATOM 929 O VAL A 65 8.872 -1.869 -3.221 1.00 5.05 O ATOM 930 CB VAL A 65 11.318 -0.400 -2.667 1.00 62.42 C ATOM 931 CG1 VAL A 65 11.979 -1.505 -1.893 1.00 43.41 C ATOM 932 CG2 VAL A 65 12.238 0.828 -2.885 1.00 3.22 C ATOM 0 H VAL A 65 9.864 0.798 -4.234 1.00 52.55 H new ATOM 0 HA VAL A 65 11.820 -1.287 -4.526 1.00 61.40 H new ATOM 0 HB VAL A 65 10.459 -0.066 -2.085 1.00 62.42 H new ATOM 0 HG11 VAL A 65 12.274 -1.135 -0.911 1.00 43.41 H new ATOM 0 HG12 VAL A 65 11.281 -2.334 -1.774 1.00 43.41 H new ATOM 0 HG13 VAL A 65 12.862 -1.849 -2.432 1.00 43.41 H new ATOM 0 HG21 VAL A 65 12.538 1.234 -1.919 1.00 3.22 H new ATOM 0 HG22 VAL A 65 13.124 0.524 -3.442 1.00 3.22 H new ATOM 0 HG23 VAL A 65 11.699 1.591 -3.447 1.00 3.22 H new ATOM 942 N SER A 66 10.261 -3.259 -4.401 1.00 64.41 N ATOM 943 CA SER A 66 9.460 -4.466 -4.223 1.00 71.15 C ATOM 944 C SER A 66 9.315 -4.705 -2.739 1.00 13.44 C ATOM 945 O SER A 66 10.297 -4.822 -2.012 1.00 2.10 O ATOM 946 CB SER A 66 10.077 -5.722 -4.877 1.00 20.51 C ATOM 947 OG SER A 66 10.235 -5.519 -6.295 1.00 63.23 O ATOM 0 H SER A 66 11.089 -3.395 -4.981 1.00 64.41 H new ATOM 0 HA SER A 66 8.501 -4.304 -4.715 1.00 71.15 H new ATOM 0 HB2 SER A 66 11.044 -5.939 -4.423 1.00 20.51 H new ATOM 0 HB3 SER A 66 9.438 -6.586 -4.695 1.00 20.51 H new ATOM 0 HG SER A 66 10.628 -6.321 -6.698 1.00 63.23 H new ATOM 953 N LEU A 67 8.063 -4.668 -2.265 1.00 54.33 N ATOM 954 CA LEU A 67 7.792 -4.544 -0.856 1.00 34.01 C ATOM 955 C LEU A 67 7.423 -5.904 -0.372 1.00 42.41 C ATOM 956 O LEU A 67 7.402 -6.176 0.799 1.00 51.34 O ATOM 957 CB LEU A 67 6.609 -3.563 -0.624 1.00 35.43 C ATOM 958 CG LEU A 67 6.538 -2.871 0.750 1.00 13.14 C ATOM 959 CD1 LEU A 67 5.836 -3.708 1.814 1.00 23.32 C ATOM 960 CD2 LEU A 67 7.879 -2.257 1.213 1.00 33.04 C ATOM 0 H LEU A 67 7.230 -4.723 -2.851 1.00 54.33 H new ATOM 0 HA LEU A 67 8.660 -4.155 -0.323 1.00 34.01 H new ATOM 0 HB2 LEU A 67 6.653 -2.790 -1.391 1.00 35.43 H new ATOM 0 HB3 LEU A 67 5.679 -4.111 -0.777 1.00 35.43 H new ATOM 0 HG LEU A 67 5.888 -2.009 0.599 1.00 13.14 H new ATOM 0 HD11 LEU A 67 5.822 -3.161 2.757 1.00 23.32 H new ATOM 0 HD12 LEU A 67 4.813 -3.914 1.498 1.00 23.32 H new ATOM 0 HD13 LEU A 67 6.371 -4.648 1.949 1.00 23.32 H new ATOM 0 HD21 LEU A 67 7.747 -1.788 2.188 1.00 33.04 H new ATOM 0 HD22 LEU A 67 8.632 -3.041 1.286 1.00 33.04 H new ATOM 0 HD23 LEU A 67 8.204 -1.508 0.492 1.00 33.04 H new ATOM 972 N GLU A 68 7.158 -6.818 -1.306 1.00 42.25 N ATOM 973 CA GLU A 68 6.846 -8.176 -0.944 1.00 52.45 C ATOM 974 C GLU A 68 8.033 -8.762 -0.202 1.00 52.33 C ATOM 975 O GLU A 68 9.169 -8.681 -0.669 1.00 3.42 O ATOM 976 CB GLU A 68 6.582 -9.068 -2.145 1.00 45.21 C ATOM 977 CG GLU A 68 5.326 -8.698 -2.931 1.00 54.43 C ATOM 978 CD GLU A 68 5.132 -9.742 -4.007 1.00 64.52 C ATOM 979 OE1 GLU A 68 5.913 -10.730 -4.043 1.00 54.00 O ATOM 980 OE2 GLU A 68 4.194 -9.600 -4.799 1.00 11.41 O ATOM 0 H GLU A 68 7.156 -6.632 -2.309 1.00 42.25 H new ATOM 0 HA GLU A 68 5.941 -8.143 -0.337 1.00 52.45 H new ATOM 0 HB2 GLU A 68 7.442 -9.024 -2.813 1.00 45.21 H new ATOM 0 HB3 GLU A 68 6.495 -10.100 -1.806 1.00 45.21 H new ATOM 0 HG2 GLU A 68 4.459 -8.663 -2.272 1.00 54.43 H new ATOM 0 HG3 GLU A 68 5.430 -7.707 -3.374 1.00 54.43 H new ATOM 987 N GLY A 69 7.770 -9.345 0.981 1.00 52.11 N ATOM 988 CA GLY A 69 8.819 -9.946 1.780 1.00 13.13 C ATOM 989 C GLY A 69 9.244 -8.952 2.822 1.00 34.01 C ATOM 990 O GLY A 69 9.886 -9.322 3.819 1.00 61.03 O ATOM 0 H GLY A 69 6.839 -9.406 1.392 1.00 52.11 H new ATOM 0 HA2 GLY A 69 8.461 -10.861 2.252 1.00 13.13 H new ATOM 0 HA3 GLY A 69 9.665 -10.222 1.151 1.00 13.13 H new ATOM 994 N ALA A 70 8.905 -7.653 2.623 1.00 12.30 N ATOM 995 CA ALA A 70 9.261 -6.631 3.577 1.00 4.14 C ATOM 996 C ALA A 70 8.257 -6.719 4.681 1.00 60.03 C ATOM 997 O ALA A 70 7.151 -7.205 4.485 1.00 3.43 O ATOM 998 CB ALA A 70 9.242 -5.200 3.003 1.00 62.43 C ATOM 0 H ALA A 70 8.390 -7.314 1.810 1.00 12.30 H new ATOM 0 HA ALA A 70 10.286 -6.808 3.902 1.00 4.14 H new ATOM 0 HB1 ALA A 70 9.521 -4.491 3.783 1.00 62.43 H new ATOM 0 HB2 ALA A 70 9.951 -5.129 2.178 1.00 62.43 H new ATOM 0 HB3 ALA A 70 8.241 -4.966 2.642 1.00 62.43 H new ATOM 1004 N THR A 71 8.660 -6.321 5.889 1.00 12.00 N ATOM 1005 CA THR A 71 7.861 -6.578 7.051 1.00 62.54 C ATOM 1006 C THR A 71 6.822 -5.485 7.198 1.00 33.55 C ATOM 1007 O THR A 71 6.724 -4.578 6.371 1.00 31.22 O ATOM 1008 CB THR A 71 8.669 -6.739 8.347 1.00 41.04 C ATOM 1009 OG1 THR A 71 9.141 -5.489 8.857 1.00 25.43 O ATOM 1010 CG2 THR A 71 9.886 -7.621 8.044 1.00 32.54 C ATOM 0 H THR A 71 9.532 -5.824 6.070 1.00 12.00 H new ATOM 0 HA THR A 71 7.379 -7.543 6.893 1.00 62.54 H new ATOM 0 HB THR A 71 8.014 -7.181 9.098 1.00 41.04 H new ATOM 0 HG1 THR A 71 10.099 -5.556 9.051 1.00 25.43 H new ATOM 0 HG21 THR A 71 10.477 -7.750 8.951 1.00 32.54 H new ATOM 0 HG22 THR A 71 9.550 -8.595 7.688 1.00 32.54 H new ATOM 0 HG23 THR A 71 10.498 -7.146 7.277 1.00 32.54 H new ATOM 1018 N HIS A 72 6.000 -5.596 8.271 1.00 70.44 N ATOM 1019 CA HIS A 72 4.941 -4.640 8.535 1.00 54.12 C ATOM 1020 C HIS A 72 5.574 -3.280 8.728 1.00 54.14 C ATOM 1021 O HIS A 72 5.204 -2.335 8.078 1.00 3.31 O ATOM 1022 CB HIS A 72 4.113 -4.937 9.825 1.00 33.43 C ATOM 1023 CG HIS A 72 3.930 -6.384 10.145 1.00 50.44 C ATOM 1024 ND1 HIS A 72 3.439 -7.286 9.256 1.00 55.25 N ATOM 1025 CD2 HIS A 72 4.180 -7.049 11.292 1.00 14.10 C ATOM 1026 CE1 HIS A 72 3.388 -8.465 9.848 1.00 42.12 C ATOM 1027 NE2 HIS A 72 3.831 -8.347 11.082 1.00 62.20 N ATOM 0 H HIS A 72 6.066 -6.347 8.958 1.00 70.44 H new ATOM 0 HA HIS A 72 4.261 -4.695 7.685 1.00 54.12 H new ATOM 0 HB2 HIS A 72 4.602 -4.454 10.671 1.00 33.43 H new ATOM 0 HB3 HIS A 72 3.130 -4.478 9.720 1.00 33.43 H new ATOM 0 HD1 HIS A 72 3.158 -7.087 8.296 1.00 55.25 H new ATOM 0 HD2 HIS A 72 4.581 -6.631 12.203 1.00 14.10 H new ATOM 0 HE1 HIS A 72 3.039 -9.380 9.393 1.00 42.12 H new ATOM 1036 N LYS A 73 6.591 -3.176 9.643 1.00 41.12 N ATOM 1037 CA LYS A 73 7.199 -1.867 9.942 1.00 52.21 C ATOM 1038 C LYS A 73 7.805 -1.273 8.696 1.00 41.12 C ATOM 1039 O LYS A 73 7.605 -0.095 8.414 1.00 41.22 O ATOM 1040 CB LYS A 73 8.254 -1.865 11.096 1.00 44.10 C ATOM 1041 CG LYS A 73 9.549 -2.664 10.836 1.00 54.00 C ATOM 1042 CD LYS A 73 10.529 -2.612 12.018 1.00 32.42 C ATOM 1043 CE LYS A 73 11.871 -3.325 11.758 1.00 63.01 C ATOM 1044 NZ LYS A 73 12.640 -2.644 10.692 1.00 14.41 N ATOM 0 H LYS A 73 6.985 -3.961 10.161 1.00 41.12 H new ATOM 0 HA LYS A 73 6.373 -1.254 10.304 1.00 52.21 H new ATOM 0 HB2 LYS A 73 8.526 -0.831 11.310 1.00 44.10 H new ATOM 0 HB3 LYS A 73 7.781 -2.262 11.994 1.00 44.10 H new ATOM 0 HG2 LYS A 73 9.294 -3.703 10.627 1.00 54.00 H new ATOM 0 HG3 LYS A 73 10.040 -2.271 9.946 1.00 54.00 H new ATOM 0 HD2 LYS A 73 10.727 -1.569 12.266 1.00 32.42 H new ATOM 0 HD3 LYS A 73 10.054 -3.062 12.889 1.00 32.42 H new ATOM 0 HE2 LYS A 73 12.458 -3.347 12.676 1.00 63.01 H new ATOM 0 HE3 LYS A 73 11.687 -4.361 11.472 1.00 63.01 H new ATOM 0 HZ1 LYS A 73 13.579 -3.082 10.608 1.00 14.41 H new ATOM 0 HZ2 LYS A 73 12.134 -2.733 9.788 1.00 14.41 H new ATOM 0 HZ3 LYS A 73 12.748 -1.637 10.931 1.00 14.41 H new ATOM 1058 N GLN A 74 8.548 -2.104 7.909 1.00 54.41 N ATOM 1059 CA GLN A 74 9.169 -1.659 6.671 1.00 32.43 C ATOM 1060 C GLN A 74 8.111 -1.068 5.770 1.00 24.43 C ATOM 1061 O GLN A 74 8.286 0.013 5.218 1.00 40.45 O ATOM 1062 CB GLN A 74 9.824 -2.828 5.930 1.00 43.34 C ATOM 1063 CG GLN A 74 10.841 -3.578 6.797 1.00 10.33 C ATOM 1064 CD GLN A 74 12.035 -2.685 7.022 1.00 34.44 C ATOM 1065 OE1 GLN A 74 12.190 -2.112 8.093 1.00 12.02 O ATOM 1066 NE2 GLN A 74 12.889 -2.564 6.011 1.00 1.40 N ATOM 0 H GLN A 74 8.719 -3.085 8.130 1.00 54.41 H new ATOM 0 HA GLN A 74 9.931 -0.921 6.921 1.00 32.43 H new ATOM 0 HB2 GLN A 74 9.052 -3.522 5.599 1.00 43.34 H new ATOM 0 HB3 GLN A 74 10.321 -2.454 5.035 1.00 43.34 H new ATOM 0 HG2 GLN A 74 10.392 -3.857 7.750 1.00 10.33 H new ATOM 0 HG3 GLN A 74 11.147 -4.502 6.307 1.00 10.33 H new ATOM 0 HE21 GLN A 74 12.718 -3.061 5.137 1.00 1.40 H new ATOM 0 HE22 GLN A 74 13.715 -1.974 6.109 1.00 1.40 H new ATOM 1075 N ALA A 75 6.980 -1.787 5.641 1.00 35.34 N ATOM 1076 CA ALA A 75 5.866 -1.375 4.799 1.00 55.43 C ATOM 1077 C ALA A 75 5.462 0.029 5.107 1.00 21.41 C ATOM 1078 O ALA A 75 5.385 0.878 4.215 1.00 52.54 O ATOM 1079 CB ALA A 75 4.622 -2.242 4.999 1.00 44.31 C ATOM 0 H ALA A 75 6.823 -2.672 6.124 1.00 35.34 H new ATOM 0 HA ALA A 75 6.223 -1.476 3.774 1.00 55.43 H new ATOM 0 HB1 ALA A 75 3.824 -1.889 4.346 1.00 44.31 H new ATOM 0 HB2 ALA A 75 4.858 -3.278 4.756 1.00 44.31 H new ATOM 0 HB3 ALA A 75 4.297 -2.178 6.037 1.00 44.31 H new ATOM 1085 N VAL A 76 5.183 0.305 6.389 1.00 12.23 N ATOM 1086 CA VAL A 76 4.610 1.562 6.764 1.00 55.32 C ATOM 1087 C VAL A 76 5.683 2.618 6.649 1.00 63.14 C ATOM 1088 O VAL A 76 5.427 3.708 6.162 1.00 30.23 O ATOM 1089 CB VAL A 76 4.054 1.564 8.190 1.00 71.33 C ATOM 1090 CG1 VAL A 76 3.229 2.841 8.410 1.00 74.22 C ATOM 1091 CG2 VAL A 76 3.190 0.313 8.369 1.00 24.43 C ATOM 0 H VAL A 76 5.352 -0.336 7.165 1.00 12.23 H new ATOM 0 HA VAL A 76 3.771 1.761 6.098 1.00 55.32 H new ATOM 0 HB VAL A 76 4.860 1.550 8.923 1.00 71.33 H new ATOM 0 HG11 VAL A 76 2.831 2.847 9.425 1.00 74.22 H new ATOM 0 HG12 VAL A 76 3.865 3.714 8.265 1.00 74.22 H new ATOM 0 HG13 VAL A 76 2.405 2.869 7.697 1.00 74.22 H new ATOM 0 HG21 VAL A 76 2.783 0.294 9.380 1.00 24.43 H new ATOM 0 HG22 VAL A 76 2.372 0.329 7.649 1.00 24.43 H new ATOM 0 HG23 VAL A 76 3.799 -0.576 8.206 1.00 24.43 H new ATOM 1101 N CYS A 77 6.925 2.315 7.132 1.00 14.11 N ATOM 1102 CA CYS A 77 7.914 3.436 7.210 1.00 75.14 C ATOM 1103 C CYS A 77 8.262 3.839 5.766 1.00 0.41 C ATOM 1104 O CYS A 77 8.734 4.903 5.506 1.00 11.42 O ATOM 1105 CB CYS A 77 9.217 3.075 7.953 1.00 54.33 C ATOM 1106 SG CYS A 77 10.211 4.567 8.309 1.00 22.51 S ATOM 0 H CYS A 77 7.246 1.399 7.445 1.00 14.11 H new ATOM 0 HA CYS A 77 7.455 4.244 7.780 1.00 75.14 H new ATOM 0 HB2 CYS A 77 8.977 2.564 8.885 1.00 54.33 H new ATOM 0 HB3 CYS A 77 9.802 2.381 7.350 1.00 54.33 H new ATOM 0 HG CYS A 77 11.298 4.225 8.936 1.00 22.51 H new ATOM 1111 N THR A 78 8.214 2.871 4.817 1.00 63.24 N ATOM 1112 CA THR A 78 8.562 3.179 3.432 1.00 35.24 C ATOM 1113 C THR A 78 7.480 4.102 2.900 1.00 33.02 C ATOM 1114 O THR A 78 7.763 5.114 2.290 1.00 61.11 O ATOM 1115 CB THR A 78 8.672 1.940 2.545 1.00 33.52 C ATOM 1116 OG1 THR A 78 9.561 0.988 3.153 1.00 74.22 O ATOM 1117 CG2 THR A 78 9.242 2.357 1.157 1.00 45.43 C ATOM 0 H THR A 78 7.945 1.902 4.990 1.00 63.24 H new ATOM 0 HA THR A 78 9.548 3.643 3.413 1.00 35.24 H new ATOM 0 HB THR A 78 7.687 1.490 2.424 1.00 33.52 H new ATOM 0 HG1 THR A 78 9.148 0.627 3.965 1.00 74.22 H new ATOM 0 HG21 THR A 78 9.323 1.478 0.518 1.00 45.43 H new ATOM 0 HG22 THR A 78 8.574 3.082 0.692 1.00 45.43 H new ATOM 0 HG23 THR A 78 10.228 2.803 1.288 1.00 45.43 H new ATOM 1125 N LEU A 79 6.201 3.774 3.212 1.00 63.10 N ATOM 1126 CA LEU A 79 5.065 4.614 2.841 1.00 54.23 C ATOM 1127 C LEU A 79 5.212 5.984 3.489 1.00 25.44 C ATOM 1128 O LEU A 79 4.709 6.968 2.980 1.00 11.33 O ATOM 1129 CB LEU A 79 3.697 4.035 3.279 1.00 13.12 C ATOM 1130 CG LEU A 79 3.230 2.834 2.437 1.00 24.32 C ATOM 1131 CD1 LEU A 79 2.011 2.122 3.063 1.00 33.12 C ATOM 1132 CD2 LEU A 79 2.985 3.213 0.957 1.00 13.14 C ATOM 0 H LEU A 79 5.944 2.928 3.721 1.00 63.10 H new ATOM 0 HA LEU A 79 5.075 4.670 1.752 1.00 54.23 H new ATOM 0 HB2 LEU A 79 3.760 3.731 4.324 1.00 13.12 H new ATOM 0 HB3 LEU A 79 2.945 4.822 3.220 1.00 13.12 H new ATOM 0 HG LEU A 79 4.050 2.116 2.442 1.00 24.32 H new ATOM 0 HD11 LEU A 79 1.718 1.282 2.434 1.00 33.12 H new ATOM 0 HD12 LEU A 79 2.273 1.758 4.056 1.00 33.12 H new ATOM 0 HD13 LEU A 79 1.181 2.824 3.141 1.00 33.12 H new ATOM 0 HD21 LEU A 79 2.657 2.332 0.405 1.00 13.14 H new ATOM 0 HD22 LEU A 79 2.216 3.983 0.901 1.00 13.14 H new ATOM 0 HD23 LEU A 79 3.909 3.591 0.520 1.00 13.14 H new ATOM 1144 N ARG A 80 5.878 6.054 4.656 1.00 74.35 N ATOM 1145 CA ARG A 80 6.110 7.323 5.307 1.00 23.14 C ATOM 1146 C ARG A 80 7.195 8.050 4.532 1.00 65.22 C ATOM 1147 O ARG A 80 6.993 9.150 4.069 1.00 22.34 O ATOM 1148 CB ARG A 80 6.612 7.183 6.770 1.00 23.24 C ATOM 1149 CG ARG A 80 6.688 8.527 7.512 1.00 34.01 C ATOM 1150 CD ARG A 80 7.499 8.479 8.811 1.00 62.44 C ATOM 1151 NE ARG A 80 8.952 8.289 8.450 1.00 64.44 N ATOM 1152 CZ ARG A 80 9.978 8.743 9.263 1.00 3.33 C ATOM 1153 NH1 ARG A 80 9.721 9.329 10.472 1.00 33.14 N ATOM 1154 NH2 ARG A 80 11.252 8.605 8.840 1.00 41.22 N ATOM 0 H ARG A 80 6.255 5.246 5.151 1.00 74.35 H new ATOM 0 HA ARG A 80 5.158 7.854 5.327 1.00 23.14 H new ATOM 0 HB2 ARG A 80 5.947 6.512 7.313 1.00 23.24 H new ATOM 0 HB3 ARG A 80 7.599 6.720 6.767 1.00 23.24 H new ATOM 0 HG2 ARG A 80 7.128 9.272 6.849 1.00 34.01 H new ATOM 0 HG3 ARG A 80 5.676 8.862 7.740 1.00 34.01 H new ATOM 0 HD2 ARG A 80 7.365 9.400 9.378 1.00 62.44 H new ATOM 0 HD3 ARG A 80 7.154 7.662 9.445 1.00 62.44 H new ATOM 0 HE ARG A 80 9.186 7.811 7.580 1.00 64.44 H new ATOM 0 HH11 ARG A 80 8.758 9.439 10.791 1.00 33.14 H new ATOM 0 HH12 ARG A 80 10.492 9.656 11.054 1.00 33.14 H new ATOM 0 HH21 ARG A 80 11.445 8.173 7.936 1.00 41.22 H new ATOM 0 HH22 ARG A 80 12.022 8.933 9.424 1.00 41.22 H new ATOM 1168 N ASN A 81 8.392 7.424 4.458 1.00 62.53 N ATOM 1169 CA ASN A 81 9.635 8.028 3.895 1.00 23.42 C ATOM 1170 C ASN A 81 9.497 8.465 2.444 1.00 42.12 C ATOM 1171 O ASN A 81 10.430 9.072 1.899 1.00 30.01 O ATOM 1172 CB ASN A 81 10.867 7.077 3.980 1.00 74.34 C ATOM 1173 CG ASN A 81 11.252 6.899 5.452 1.00 12.22 C ATOM 1174 OD1 ASN A 81 10.703 7.560 6.337 1.00 42.22 O ATOM 1175 ND2 ASN A 81 12.209 5.998 5.734 1.00 32.31 N ATOM 0 H ASN A 81 8.530 6.470 4.791 1.00 62.53 H new ATOM 0 HA ASN A 81 9.795 8.904 4.523 1.00 23.42 H new ATOM 0 HB2 ASN A 81 10.630 6.112 3.532 1.00 74.34 H new ATOM 0 HB3 ASN A 81 11.704 7.492 3.418 1.00 74.34 H new ATOM 0 HD21 ASN A 81 12.498 5.847 6.700 1.00 32.31 H new ATOM 0 HD22 ASN A 81 12.646 5.465 4.982 1.00 32.31 H new ATOM 1182 N THR A 82 8.358 8.222 1.801 1.00 15.24 N ATOM 1183 CA THR A 82 8.151 8.685 0.445 1.00 23.42 C ATOM 1184 C THR A 82 7.915 10.208 0.474 1.00 43.32 C ATOM 1185 O THR A 82 8.048 10.863 1.516 1.00 71.21 O ATOM 1186 CB THR A 82 6.996 7.993 -0.237 1.00 10.31 C ATOM 1187 OG1 THR A 82 5.927 7.854 0.685 1.00 72.44 O ATOM 1188 CG2 THR A 82 7.480 6.607 -0.669 1.00 32.20 C ATOM 0 H THR A 82 7.572 7.709 2.200 1.00 15.24 H new ATOM 0 HA THR A 82 9.042 8.444 -0.134 1.00 23.42 H new ATOM 0 HB THR A 82 6.651 8.566 -1.098 1.00 10.31 H new ATOM 0 HG1 THR A 82 5.408 7.052 0.466 1.00 72.44 H new ATOM 0 HG21 THR A 82 6.668 6.077 -1.167 1.00 32.20 H new ATOM 0 HG22 THR A 82 8.320 6.713 -1.356 1.00 32.20 H new ATOM 0 HG23 THR A 82 7.797 6.043 0.208 1.00 32.20 H new ATOM 1196 N GLY A 83 7.629 10.788 -0.703 1.00 64.23 N ATOM 1197 CA GLY A 83 7.646 12.224 -0.870 1.00 53.50 C ATOM 1198 C GLY A 83 6.275 12.768 -0.634 1.00 64.42 C ATOM 1199 O GLY A 83 5.515 12.248 0.165 1.00 51.11 O ATOM 0 H GLY A 83 7.384 10.270 -1.547 1.00 64.23 H new ATOM 0 HA2 GLY A 83 8.353 12.674 -0.172 1.00 53.50 H new ATOM 0 HA3 GLY A 83 7.983 12.480 -1.874 1.00 53.50 H new ATOM 1203 N GLN A 84 5.954 13.879 -1.332 1.00 13.30 N ATOM 1204 CA GLN A 84 4.687 14.553 -1.173 1.00 75.41 C ATOM 1205 C GLN A 84 3.625 13.622 -1.672 1.00 51.31 C ATOM 1206 O GLN A 84 2.676 13.280 -0.942 1.00 22.34 O ATOM 1207 CB GLN A 84 4.610 15.870 -2.006 1.00 70.42 C ATOM 1208 CG GLN A 84 3.265 16.615 -1.846 1.00 13.00 C ATOM 1209 CD GLN A 84 3.216 17.860 -2.750 1.00 70.42 C ATOM 1210 OE1 GLN A 84 4.320 18.163 -3.471 1.00 5.32 O flip ATOM 1211 NE2 GLN A 84 2.192 18.554 -2.808 1.00 32.42 N flip ATOM 0 H GLN A 84 6.575 14.316 -2.013 1.00 13.30 H new ATOM 0 HA GLN A 84 4.559 14.815 -0.123 1.00 75.41 H new ATOM 0 HB2 GLN A 84 5.422 16.531 -1.704 1.00 70.42 H new ATOM 0 HB3 GLN A 84 4.765 15.636 -3.059 1.00 70.42 H new ATOM 0 HG2 GLN A 84 2.442 15.946 -2.097 1.00 13.00 H new ATOM 0 HG3 GLN A 84 3.130 16.910 -0.806 1.00 13.00 H new ATOM 0 HE21 GLN A 84 1.374 18.303 -2.254 1.00 32.42 H new ATOM 0 HE22 GLN A 84 2.167 19.377 -3.410 1.00 32.42 H new ATOM 1220 N VAL A 85 3.776 13.170 -2.924 1.00 2.01 N ATOM 1221 CA VAL A 85 2.905 12.204 -3.495 1.00 2.40 C ATOM 1222 C VAL A 85 3.639 10.905 -3.407 1.00 72.40 C ATOM 1223 O VAL A 85 4.870 10.870 -3.507 1.00 2.10 O ATOM 1224 CB VAL A 85 2.613 12.540 -4.954 1.00 32.03 C ATOM 1225 CG1 VAL A 85 1.807 11.426 -5.630 1.00 4.33 C ATOM 1226 CG2 VAL A 85 1.864 13.877 -4.958 1.00 24.40 C ATOM 0 H VAL A 85 4.518 13.482 -3.550 1.00 2.01 H new ATOM 0 HA VAL A 85 1.948 12.171 -2.975 1.00 2.40 H new ATOM 0 HB VAL A 85 3.536 12.624 -5.528 1.00 32.03 H new ATOM 0 HG11 VAL A 85 1.615 11.695 -6.669 1.00 4.33 H new ATOM 0 HG12 VAL A 85 2.373 10.495 -5.595 1.00 4.33 H new ATOM 0 HG13 VAL A 85 0.859 11.295 -5.108 1.00 4.33 H new ATOM 0 HG21 VAL A 85 1.632 14.161 -5.984 1.00 24.40 H new ATOM 0 HG22 VAL A 85 0.938 13.777 -4.391 1.00 24.40 H new ATOM 0 HG23 VAL A 85 2.488 14.645 -4.501 1.00 24.40 H new ATOM 1236 N VAL A 86 2.900 9.815 -3.166 1.00 75.42 N ATOM 1237 CA VAL A 86 3.487 8.514 -3.030 1.00 42.02 C ATOM 1238 C VAL A 86 3.107 7.758 -4.257 1.00 14.44 C ATOM 1239 O VAL A 86 1.943 7.773 -4.676 1.00 50.24 O ATOM 1240 CB VAL A 86 2.947 7.749 -1.828 1.00 35.43 C ATOM 1241 CG1 VAL A 86 3.666 6.380 -1.706 1.00 33.01 C ATOM 1242 CG2 VAL A 86 3.133 8.639 -0.594 1.00 63.12 C ATOM 0 H VAL A 86 1.885 9.829 -3.063 1.00 75.42 H new ATOM 0 HA VAL A 86 4.563 8.622 -2.894 1.00 42.02 H new ATOM 0 HB VAL A 86 1.886 7.523 -1.935 1.00 35.43 H new ATOM 0 HG11 VAL A 86 3.275 5.839 -0.844 1.00 33.01 H new ATOM 0 HG12 VAL A 86 3.493 5.796 -2.610 1.00 33.01 H new ATOM 0 HG13 VAL A 86 4.736 6.541 -1.577 1.00 33.01 H new ATOM 0 HG21 VAL A 86 2.756 8.121 0.288 1.00 63.12 H new ATOM 0 HG22 VAL A 86 4.192 8.859 -0.461 1.00 63.12 H new ATOM 0 HG23 VAL A 86 2.583 9.570 -0.731 1.00 63.12 H new ATOM 1252 N HIS A 87 4.086 7.086 -4.863 1.00 54.30 N ATOM 1253 CA HIS A 87 3.839 6.253 -6.011 1.00 75.23 C ATOM 1254 C HIS A 87 3.959 4.856 -5.504 1.00 70.43 C ATOM 1255 O HIS A 87 4.978 4.488 -4.923 1.00 34.32 O ATOM 1256 CB HIS A 87 4.888 6.457 -7.132 1.00 11.21 C ATOM 1257 CG HIS A 87 4.661 5.614 -8.371 1.00 23.12 C ATOM 1258 ND1 HIS A 87 5.640 4.812 -8.894 1.00 4.01 N ATOM 1259 CD2 HIS A 87 3.601 5.557 -9.216 1.00 32.14 C ATOM 1260 CE1 HIS A 87 5.183 4.271 -10.022 1.00 4.15 C ATOM 1261 NE2 HIS A 87 3.946 4.716 -10.237 1.00 40.44 N ATOM 0 H HIS A 87 5.061 7.111 -4.565 1.00 54.30 H new ATOM 0 HA HIS A 87 2.867 6.490 -6.444 1.00 75.23 H new ATOM 0 HB2 HIS A 87 4.893 7.508 -7.420 1.00 11.21 H new ATOM 0 HB3 HIS A 87 5.876 6.232 -6.732 1.00 11.21 H new ATOM 0 HD2 HIS A 87 2.662 6.078 -9.103 1.00 32.14 H new ATOM 0 HE1 HIS A 87 5.725 3.586 -10.657 1.00 4.15 H new ATOM 0 HE2 HIS A 87 3.355 4.470 -11.031 1.00 40.44 H new ATOM 1270 N LEU A 88 2.904 4.071 -5.656 1.00 32.31 N ATOM 1271 CA LEU A 88 2.910 2.741 -5.112 1.00 24.42 C ATOM 1272 C LEU A 88 1.973 1.919 -5.902 1.00 74.43 C ATOM 1273 O LEU A 88 0.886 2.354 -6.261 1.00 72.12 O ATOM 1274 CB LEU A 88 2.533 2.644 -3.595 1.00 63.44 C ATOM 1275 CG LEU A 88 1.062 3.014 -3.213 1.00 62.51 C ATOM 1276 CD1 LEU A 88 0.825 2.907 -1.708 1.00 60.44 C ATOM 1277 CD2 LEU A 88 0.593 4.371 -3.759 1.00 4.51 C ATOM 0 H LEU A 88 2.049 4.335 -6.146 1.00 32.31 H new ATOM 0 HA LEU A 88 3.938 2.383 -5.176 1.00 24.42 H new ATOM 0 HB2 LEU A 88 2.725 1.624 -3.261 1.00 63.44 H new ATOM 0 HB3 LEU A 88 3.204 3.295 -3.035 1.00 63.44 H new ATOM 0 HG LEU A 88 0.442 2.269 -3.711 1.00 62.51 H new ATOM 0 HD11 LEU A 88 -0.208 3.172 -1.483 1.00 60.44 H new ATOM 0 HD12 LEU A 88 1.017 1.885 -1.381 1.00 60.44 H new ATOM 0 HD13 LEU A 88 1.496 3.588 -1.185 1.00 60.44 H new ATOM 0 HD21 LEU A 88 -0.436 4.552 -3.449 1.00 4.51 H new ATOM 0 HD22 LEU A 88 1.234 5.162 -3.368 1.00 4.51 H new ATOM 0 HD23 LEU A 88 0.649 4.364 -4.848 1.00 4.51 H new ATOM 1289 N LEU A 89 2.416 0.726 -6.260 1.00 11.20 N ATOM 1290 CA LEU A 89 1.612 -0.204 -7.003 1.00 71.40 C ATOM 1291 C LEU A 89 0.766 -0.960 -6.041 1.00 20.44 C ATOM 1292 O LEU A 89 1.217 -1.348 -4.948 1.00 12.23 O ATOM 1293 CB LEU A 89 2.478 -1.254 -7.750 1.00 2.43 C ATOM 1294 CG LEU A 89 3.139 -0.750 -9.051 1.00 43.50 C ATOM 1295 CD1 LEU A 89 3.736 0.660 -8.934 1.00 52.33 C ATOM 1296 CD2 LEU A 89 4.138 -1.766 -9.616 1.00 20.21 C ATOM 0 H LEU A 89 3.350 0.382 -6.038 1.00 11.20 H new ATOM 0 HA LEU A 89 1.030 0.366 -7.727 1.00 71.40 H new ATOM 0 HB2 LEU A 89 3.259 -1.604 -7.076 1.00 2.43 H new ATOM 0 HB3 LEU A 89 1.853 -2.115 -7.988 1.00 2.43 H new ATOM 0 HG LEU A 89 2.331 -0.656 -9.777 1.00 43.50 H new ATOM 0 HD11 LEU A 89 4.183 0.946 -9.886 1.00 52.33 H new ATOM 0 HD12 LEU A 89 2.949 1.368 -8.675 1.00 52.33 H new ATOM 0 HD13 LEU A 89 4.501 0.668 -8.158 1.00 52.33 H new ATOM 0 HD21 LEU A 89 4.580 -1.372 -10.531 1.00 20.21 H new ATOM 0 HD22 LEU A 89 4.924 -1.950 -8.883 1.00 20.21 H new ATOM 0 HD23 LEU A 89 3.622 -2.700 -9.836 1.00 20.21 H new ATOM 1308 N LEU A 90 -0.467 -1.205 -6.462 1.00 42.45 N ATOM 1309 CA LEU A 90 -1.393 -1.982 -5.678 1.00 64.04 C ATOM 1310 C LEU A 90 -1.710 -3.160 -6.514 1.00 23.42 C ATOM 1311 O LEU A 90 -1.520 -3.135 -7.737 1.00 60.31 O ATOM 1312 CB LEU A 90 -2.786 -1.324 -5.356 1.00 60.02 C ATOM 1313 CG LEU A 90 -2.860 0.218 -5.281 1.00 30.30 C ATOM 1314 CD1 LEU A 90 -2.050 0.857 -4.156 1.00 62.11 C ATOM 1315 CD2 LEU A 90 -2.629 0.891 -6.629 1.00 53.40 C ATOM 0 H LEU A 90 -0.843 -0.871 -7.349 1.00 42.45 H new ATOM 0 HA LEU A 90 -0.908 -2.153 -4.717 1.00 64.04 H new ATOM 0 HB2 LEU A 90 -3.495 -1.656 -6.114 1.00 60.02 H new ATOM 0 HB3 LEU A 90 -3.130 -1.722 -4.401 1.00 60.02 H new ATOM 0 HG LEU A 90 -3.896 0.413 -5.003 1.00 30.30 H new ATOM 0 HD11 LEU A 90 -2.170 1.940 -4.191 1.00 62.11 H new ATOM 0 HD12 LEU A 90 -2.405 0.484 -3.195 1.00 62.11 H new ATOM 0 HD13 LEU A 90 -0.997 0.604 -4.277 1.00 62.11 H new ATOM 0 HD21 LEU A 90 -2.693 1.973 -6.511 1.00 53.40 H new ATOM 0 HD22 LEU A 90 -1.641 0.625 -7.004 1.00 53.40 H new ATOM 0 HD23 LEU A 90 -3.388 0.557 -7.337 1.00 53.40 H new ATOM 1327 N GLU A 91 -2.265 -4.192 -5.898 1.00 55.20 N ATOM 1328 CA GLU A 91 -2.860 -5.245 -6.627 1.00 62.12 C ATOM 1329 C GLU A 91 -4.240 -5.276 -6.068 1.00 2.03 C ATOM 1330 O GLU A 91 -4.405 -5.134 -4.847 1.00 44.52 O ATOM 1331 CB GLU A 91 -2.202 -6.605 -6.329 1.00 31.41 C ATOM 1332 CG GLU A 91 -2.792 -7.781 -7.102 1.00 2.11 C ATOM 1333 CD GLU A 91 -2.212 -9.041 -6.529 1.00 11.10 C ATOM 1334 OE1 GLU A 91 -2.484 -9.332 -5.353 1.00 12.33 O ATOM 1335 OE2 GLU A 91 -1.451 -9.727 -7.215 1.00 22.42 O ATOM 0 H GLU A 91 -2.304 -4.301 -4.885 1.00 55.20 H new ATOM 0 HA GLU A 91 -2.783 -5.088 -7.703 1.00 62.12 H new ATOM 0 HB2 GLU A 91 -1.138 -6.536 -6.555 1.00 31.41 H new ATOM 0 HB3 GLU A 91 -2.288 -6.809 -5.262 1.00 31.41 H new ATOM 0 HG2 GLU A 91 -3.879 -7.787 -7.018 1.00 2.11 H new ATOM 0 HG3 GLU A 91 -2.555 -7.699 -8.163 1.00 2.11 H new ATOM 1342 N LYS A 92 -5.280 -5.428 -6.934 1.00 10.43 N ATOM 1343 CA LYS A 92 -6.653 -5.504 -6.429 1.00 22.32 C ATOM 1344 C LYS A 92 -6.771 -6.689 -5.534 1.00 4.40 C ATOM 1345 O LYS A 92 -6.100 -7.706 -5.735 1.00 61.10 O ATOM 1346 CB LYS A 92 -7.749 -5.703 -7.498 1.00 55.40 C ATOM 1347 CG LYS A 92 -7.956 -4.549 -8.460 1.00 75.01 C ATOM 1348 CD LYS A 92 -8.304 -3.180 -7.791 1.00 24.32 C ATOM 1349 CE LYS A 92 -9.370 -3.199 -6.657 1.00 35.31 C ATOM 1350 NZ LYS A 92 -10.702 -3.643 -7.115 1.00 2.13 N ATOM 0 H LYS A 92 -5.187 -5.497 -7.947 1.00 10.43 H new ATOM 0 HA LYS A 92 -6.817 -4.540 -5.947 1.00 22.32 H new ATOM 0 HB2 LYS A 92 -7.506 -6.594 -8.077 1.00 55.40 H new ATOM 0 HB3 LYS A 92 -8.693 -5.900 -6.990 1.00 55.40 H new ATOM 0 HG2 LYS A 92 -7.051 -4.425 -9.054 1.00 75.01 H new ATOM 0 HG3 LYS A 92 -8.757 -4.812 -9.151 1.00 75.01 H new ATOM 0 HD2 LYS A 92 -7.385 -2.758 -7.385 1.00 24.32 H new ATOM 0 HD3 LYS A 92 -8.650 -2.500 -8.570 1.00 24.32 H new ATOM 0 HE2 LYS A 92 -9.029 -3.858 -5.859 1.00 35.31 H new ATOM 0 HE3 LYS A 92 -9.455 -2.199 -6.230 1.00 35.31 H new ATOM 0 HZ1 LYS A 92 -11.365 -3.634 -6.314 1.00 2.13 H new ATOM 0 HZ2 LYS A 92 -11.046 -3.001 -7.857 1.00 2.13 H new ATOM 0 HZ3 LYS A 92 -10.634 -4.608 -7.497 1.00 2.13 H new ATOM 1364 N GLY A 93 -7.657 -6.584 -4.555 1.00 35.42 N ATOM 1365 CA GLY A 93 -7.939 -7.664 -3.684 1.00 72.33 C ATOM 1366 C GLY A 93 -9.337 -8.047 -3.964 1.00 23.11 C ATOM 1367 O GLY A 93 -9.783 -7.978 -5.123 1.00 43.51 O ATOM 0 H GLY A 93 -8.190 -5.737 -4.360 1.00 35.42 H new ATOM 0 HA2 GLY A 93 -7.261 -8.499 -3.863 1.00 72.33 H new ATOM 0 HA3 GLY A 93 -7.815 -7.370 -2.642 1.00 72.33 H new