USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 71 HIS : no HE2:sc= -1.31 K(o=-2,f=-2.5) USER MOD Set 1.2: B 13 SER OG : rot 160:sc= -0.66 USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 16 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.83) USER MOD Single : A 14 ASN : amide:sc= 0.372 K(o=0.37,f=-4.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.68) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=0) USER MOD Single : A 36 TYR OH : rot 30:sc= 0.74 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.0033) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.583 X(o=-0.58,f=-0.085) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.059) USER MOD Single : A 77 THR OG1 : rot -79:sc= 0.724 USER MOD Single : A 80 ASN : amide:sc=-0.00812 X(o=-0.0081,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.179 USER MOD Single : A 83 GLN : amide:sc=-0.00022 X(o=-0.00022,f=-0.00022) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.383 6.635 -10.519 1.00 0.00 N ATOM 54 CA GLY A 4 -11.305 5.986 -9.840 1.00 0.00 C ATOM 55 C GLY A 4 -10.353 5.330 -10.780 1.00 0.00 C ATOM 56 O GLY A 4 -10.318 4.107 -10.902 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.768 6.717 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.708 5.239 -9.155 1.00 0.00 H new ATOM 60 N ASP A 5 -9.550 6.121 -11.515 1.00 0.00 N ATOM 61 CA ASP A 5 -8.630 5.618 -12.486 1.00 0.00 C ATOM 62 C ASP A 5 -7.342 5.147 -11.901 1.00 0.00 C ATOM 63 O ASP A 5 -7.101 5.219 -10.698 1.00 0.00 O ATOM 64 CB ASP A 5 -8.440 6.679 -13.581 1.00 0.00 C ATOM 65 CG ASP A 5 -8.160 6.027 -14.927 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.011 5.211 -15.374 1.00 0.00 O ATOM 67 OD2 ASP A 5 -7.102 6.316 -15.547 1.00 0.00 O ATOM 0 H ASP A 5 -9.541 7.138 -11.431 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.056 4.718 -12.931 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.334 7.298 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.615 7.339 -13.314 1.00 0.00 H new ATOM 72 N ILE A 6 -6.428 4.638 -12.748 1.00 0.00 N ATOM 73 CA ILE A 6 -5.129 4.184 -12.360 1.00 0.00 C ATOM 74 C ILE A 6 -4.206 5.354 -12.350 1.00 0.00 C ATOM 75 O ILE A 6 -4.187 6.165 -13.274 1.00 0.00 O ATOM 76 CB ILE A 6 -4.611 3.089 -13.243 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.399 1.782 -13.047 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.113 2.812 -13.032 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.611 1.646 -13.967 1.00 0.00 C ATOM 0 H ILE A 6 -6.603 4.539 -13.748 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.195 3.749 -11.363 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.750 3.446 -14.263 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.731 0.938 -13.216 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.733 1.722 -12.011 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.794 2.010 -13.698 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.542 3.714 -13.251 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.940 2.515 -11.998 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.114 0.699 -13.769 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.301 2.469 -13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.284 1.672 -15.006 1.00 0.00 H new ATOM 91 N PHE A 7 -3.395 5.491 -11.286 1.00 0.00 N ATOM 92 CA PHE A 7 -2.393 6.508 -11.196 1.00 0.00 C ATOM 93 C PHE A 7 -1.140 5.901 -10.669 1.00 0.00 C ATOM 94 O PHE A 7 -1.165 4.959 -9.877 1.00 0.00 O ATOM 95 CB PHE A 7 -2.844 7.761 -10.426 1.00 0.00 C ATOM 96 CG PHE A 7 -3.023 7.616 -8.953 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.022 6.837 -8.422 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.225 8.342 -8.102 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.216 6.776 -7.062 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.417 8.298 -6.741 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.416 7.510 -6.219 1.00 0.00 C ATOM 0 H PHE A 7 -3.436 4.881 -10.469 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.201 6.893 -12.198 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.113 8.550 -10.603 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.789 8.100 -10.851 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.662 6.267 -9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.435 8.956 -8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.998 6.151 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.786 8.880 -6.085 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.571 7.468 -5.151 1.00 0.00 H new ATOM 111 N GLU A 8 0.026 6.400 -11.116 1.00 0.00 N ATOM 112 CA GLU A 8 1.295 5.951 -10.634 1.00 0.00 C ATOM 113 C GLU A 8 1.886 6.996 -9.751 1.00 0.00 C ATOM 114 O GLU A 8 1.852 8.188 -10.054 1.00 0.00 O ATOM 115 CB GLU A 8 2.248 5.549 -11.773 1.00 0.00 C ATOM 116 CG GLU A 8 2.682 6.689 -12.698 1.00 0.00 C ATOM 117 CD GLU A 8 3.484 6.239 -13.909 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.643 5.009 -14.130 1.00 0.00 O ATOM 119 OE2 GLU A 8 3.942 7.124 -14.681 1.00 0.00 O ATOM 0 H GLU A 8 0.089 7.130 -11.826 1.00 0.00 H new ATOM 0 HA GLU A 8 1.140 5.044 -10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.139 5.098 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.764 4.780 -12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.795 7.221 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.278 7.400 -12.125 1.00 0.00 H new ATOM 126 N VAL A 9 2.427 6.592 -8.588 1.00 0.00 N ATOM 127 CA VAL A 9 3.155 7.460 -7.714 1.00 0.00 C ATOM 128 C VAL A 9 4.609 7.193 -7.903 1.00 0.00 C ATOM 129 O VAL A 9 5.108 6.102 -7.631 1.00 0.00 O ATOM 130 CB VAL A 9 2.733 7.351 -6.279 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.670 8.134 -5.343 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.308 7.918 -6.158 1.00 0.00 C ATOM 0 H VAL A 9 2.356 5.634 -8.245 1.00 0.00 H new ATOM 0 HA VAL A 9 2.932 8.494 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 9 2.773 6.303 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.328 8.028 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.683 7.742 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.664 9.188 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.976 7.850 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.304 8.961 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.633 7.344 -6.793 1.00 0.00 H new ATOM 142 N GLU A 10 5.335 8.207 -8.407 1.00 0.00 N ATOM 143 CA GLU A 10 6.748 8.169 -8.627 1.00 0.00 C ATOM 144 C GLU A 10 7.384 9.251 -7.824 1.00 0.00 C ATOM 145 O GLU A 10 7.448 10.409 -8.234 1.00 0.00 O ATOM 146 CB GLU A 10 7.101 8.375 -10.109 1.00 0.00 C ATOM 147 CG GLU A 10 6.540 7.300 -11.040 1.00 0.00 C ATOM 148 CD GLU A 10 7.149 7.434 -12.429 1.00 0.00 C ATOM 149 OE1 GLU A 10 7.125 8.557 -12.998 1.00 0.00 O ATOM 150 OE2 GLU A 10 7.656 6.416 -12.972 1.00 0.00 O ATOM 0 H GLU A 10 4.916 9.098 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 10 7.115 7.187 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.727 9.348 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.186 8.400 -10.213 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.754 6.311 -10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.456 7.391 -11.101 1.00 0.00 H new ATOM 157 N LEU A 11 7.870 8.912 -6.616 1.00 0.00 N ATOM 158 CA LEU A 11 8.463 9.864 -5.729 1.00 0.00 C ATOM 159 C LEU A 11 9.727 9.302 -5.174 1.00 0.00 C ATOM 160 O LEU A 11 10.353 8.423 -5.764 1.00 0.00 O ATOM 161 CB LEU A 11 7.432 10.275 -4.664 1.00 0.00 C ATOM 162 CG LEU A 11 7.561 11.684 -4.063 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.481 12.792 -5.127 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.453 11.907 -3.021 1.00 0.00 C ATOM 0 H LEU A 11 7.851 7.960 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 11 8.742 10.778 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.439 10.186 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.485 9.554 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 11 8.545 11.743 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.578 13.766 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.287 12.662 -5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.521 12.735 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.548 12.907 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.479 11.806 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.546 11.166 -2.227 1.00 0.00 H new ATOM 176 N ALA A 12 10.165 9.785 -3.998 1.00 0.00 N ATOM 177 CA ALA A 12 11.315 9.305 -3.296 1.00 0.00 C ATOM 178 C ALA A 12 11.100 9.619 -1.855 1.00 0.00 C ATOM 179 O ALA A 12 10.184 10.366 -1.515 1.00 0.00 O ATOM 180 CB ALA A 12 12.595 9.985 -3.806 1.00 0.00 C ATOM 0 H ALA A 12 9.694 10.548 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 12 11.440 8.233 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.454 9.602 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.721 9.774 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.519 11.062 -3.657 1.00 0.00 H new ATOM 186 N LYS A 13 11.917 9.065 -0.941 1.00 0.00 N ATOM 187 CA LYS A 13 11.864 9.447 0.436 1.00 0.00 C ATOM 188 C LYS A 13 12.409 10.806 0.707 1.00 0.00 C ATOM 189 O LYS A 13 13.508 11.163 0.286 1.00 0.00 O ATOM 190 CB LYS A 13 12.481 8.418 1.399 1.00 0.00 C ATOM 191 CG LYS A 13 13.926 8.007 1.108 1.00 0.00 C ATOM 192 CD LYS A 13 14.660 7.391 2.301 1.00 0.00 C ATOM 193 CE LYS A 13 13.891 6.272 3.005 1.00 0.00 C ATOM 194 NZ LYS A 13 14.748 5.584 3.997 1.00 0.00 N ATOM 0 H LYS A 13 12.614 8.352 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 13 10.794 9.478 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.436 8.824 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.860 7.522 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.929 7.291 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.479 8.883 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.618 6.998 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.877 8.177 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.013 6.685 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.532 5.553 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.204 4.829 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.573 5.171 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.070 6.268 4.711 1.00 0.00 H new ATOM 208 N ASN A 14 11.641 11.642 1.429 1.00 0.00 N ATOM 209 CA ASN A 14 12.018 12.965 1.820 1.00 0.00 C ATOM 210 C ASN A 14 12.002 13.101 3.304 1.00 0.00 C ATOM 211 O ASN A 14 13.061 13.206 3.921 1.00 0.00 O ATOM 212 CB ASN A 14 11.238 14.062 1.078 1.00 0.00 C ATOM 213 CG ASN A 14 9.727 13.894 0.993 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.112 13.009 1.585 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.092 14.797 0.199 1.00 0.00 N ATOM 0 H ASN A 14 10.711 11.382 1.756 1.00 0.00 H new ATOM 0 HA ASN A 14 13.049 13.123 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.447 15.015 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.630 14.130 0.063 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.080 14.751 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.628 15.521 -0.280 1.00 0.00 H new ATOM 222 N ASP A 15 10.826 13.089 3.957 1.00 0.00 N ATOM 223 CA ASP A 15 10.698 13.147 5.380 1.00 0.00 C ATOM 224 C ASP A 15 11.027 11.813 5.956 1.00 0.00 C ATOM 225 O ASP A 15 12.039 11.621 6.628 1.00 0.00 O ATOM 226 CB ASP A 15 9.282 13.648 5.709 1.00 0.00 C ATOM 227 CG ASP A 15 9.161 14.318 7.070 1.00 0.00 C ATOM 228 OD1 ASP A 15 10.121 14.295 7.886 1.00 0.00 O ATOM 229 OD2 ASP A 15 8.077 14.908 7.323 1.00 0.00 O ATOM 0 H ASP A 15 9.929 13.037 3.474 1.00 0.00 H new ATOM 0 HA ASP A 15 11.399 13.848 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.970 14.354 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.591 12.806 5.668 1.00 0.00 H new ATOM 234 N ASN A 16 10.233 10.788 5.603 1.00 0.00 N ATOM 235 CA ASN A 16 10.758 9.489 5.316 1.00 0.00 C ATOM 236 C ASN A 16 10.018 9.018 4.112 1.00 0.00 C ATOM 237 O ASN A 16 9.935 9.758 3.132 1.00 0.00 O ATOM 238 CB ASN A 16 10.734 8.530 6.518 1.00 0.00 C ATOM 239 CG ASN A 16 11.710 7.386 6.283 1.00 0.00 C ATOM 240 OD1 ASN A 16 12.877 7.614 5.971 1.00 0.00 O ATOM 241 ND2 ASN A 16 11.232 6.116 6.376 1.00 0.00 N ATOM 0 H ASN A 16 9.219 10.859 5.516 1.00 0.00 H new ATOM 0 HA ASN A 16 11.827 9.527 5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.001 9.067 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.727 8.138 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.846 5.325 6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.259 5.955 6.637 1.00 0.00 H new ATOM 248 N SER A 17 9.469 7.791 4.093 1.00 0.00 N ATOM 249 CA SER A 17 8.751 7.276 2.968 1.00 0.00 C ATOM 250 C SER A 17 7.297 7.594 3.035 1.00 0.00 C ATOM 251 O SER A 17 6.834 8.497 2.340 1.00 0.00 O ATOM 252 CB SER A 17 8.982 5.776 2.719 1.00 0.00 C ATOM 253 OG SER A 17 8.759 4.975 3.869 1.00 0.00 O ATOM 0 H SER A 17 9.525 7.141 4.877 1.00 0.00 H new ATOM 0 HA SER A 17 9.169 7.794 2.105 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.322 5.442 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.005 5.626 2.373 1.00 0.00 H new ATOM 0 HG SER A 17 8.920 4.034 3.648 1.00 0.00 H new ATOM 259 N LEU A 18 6.494 6.875 3.839 1.00 0.00 N ATOM 260 CA LEU A 18 5.087 7.115 3.934 1.00 0.00 C ATOM 261 C LEU A 18 4.681 7.848 5.166 1.00 0.00 C ATOM 262 O LEU A 18 4.742 9.075 5.221 1.00 0.00 O ATOM 263 CB LEU A 18 4.298 5.813 3.720 1.00 0.00 C ATOM 264 CG LEU A 18 4.261 5.418 2.233 1.00 0.00 C ATOM 265 CD1 LEU A 18 3.976 3.917 2.058 1.00 0.00 C ATOM 266 CD2 LEU A 18 3.236 6.250 1.443 1.00 0.00 C ATOM 0 H LEU A 18 6.826 6.115 4.433 1.00 0.00 H new ATOM 0 HA LEU A 18 4.829 7.797 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.753 5.010 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.281 5.937 4.091 1.00 0.00 H new ATOM 0 HG LEU A 18 5.250 5.632 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.957 3.672 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.758 3.338 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.011 3.675 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.242 5.939 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.242 6.095 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.497 7.306 1.509 1.00 0.00 H new ATOM 278 N GLY A 19 4.190 7.126 6.190 1.00 0.00 N ATOM 279 CA GLY A 19 3.347 7.671 7.209 1.00 0.00 C ATOM 280 C GLY A 19 1.922 7.422 6.852 1.00 0.00 C ATOM 281 O GLY A 19 1.095 8.332 6.816 1.00 0.00 O ATOM 0 H GLY A 19 4.386 6.132 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.578 7.215 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.527 8.741 7.312 1.00 0.00 H new ATOM 285 N ILE A 20 1.572 6.157 6.558 1.00 0.00 N ATOM 286 CA ILE A 20 0.247 5.788 6.168 1.00 0.00 C ATOM 287 C ILE A 20 -0.082 4.480 6.802 1.00 0.00 C ATOM 288 O ILE A 20 0.790 3.641 7.025 1.00 0.00 O ATOM 289 CB ILE A 20 0.088 5.774 4.677 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.371 5.958 4.222 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.690 4.506 4.049 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.492 6.322 2.743 1.00 0.00 C ATOM 0 H ILE A 20 2.224 5.373 6.592 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.465 6.535 6.519 1.00 0.00 H new ATOM 0 HB ILE A 20 0.647 6.638 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.924 5.038 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.838 6.739 4.822 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.554 4.535 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.754 4.456 4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.189 3.627 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.544 6.438 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.966 7.258 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.053 5.530 2.136 1.00 0.00 H new ATOM 304 N SER A 21 -1.359 4.255 7.158 1.00 0.00 N ATOM 305 CA SER A 21 -1.766 3.084 7.872 1.00 0.00 C ATOM 306 C SER A 21 -2.807 2.367 7.085 1.00 0.00 C ATOM 307 O SER A 21 -3.581 2.971 6.342 1.00 0.00 O ATOM 308 CB SER A 21 -2.277 3.440 9.279 1.00 0.00 C ATOM 309 OG SER A 21 -2.281 2.312 10.141 1.00 0.00 O ATOM 0 H SER A 21 -2.123 4.897 6.947 1.00 0.00 H new ATOM 0 HA SER A 21 -0.905 2.429 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.649 4.222 9.707 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.286 3.846 9.207 1.00 0.00 H new ATOM 0 HG SER A 21 -2.610 2.577 11.025 1.00 0.00 H new ATOM 315 N VAL A 22 -2.844 1.028 7.196 1.00 0.00 N ATOM 316 CA VAL A 22 -3.544 0.168 6.294 1.00 0.00 C ATOM 317 C VAL A 22 -4.518 -0.675 7.042 1.00 0.00 C ATOM 318 O VAL A 22 -4.418 -0.881 8.251 1.00 0.00 O ATOM 319 CB VAL A 22 -2.538 -0.621 5.509 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.972 -2.018 5.034 1.00 0.00 C ATOM 321 CG2 VAL A 22 -2.127 0.214 4.285 1.00 0.00 C ATOM 0 H VAL A 22 -2.367 0.524 7.944 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.136 0.741 5.581 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.720 -0.813 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.157 -2.483 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.222 -2.635 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.845 -1.928 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.395 -0.339 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.005 0.418 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.690 1.155 4.617 1.00 0.00 H new ATOM 331 N THR A 23 -5.552 -1.164 6.335 1.00 0.00 N ATOM 332 CA THR A 23 -6.514 -2.084 6.855 1.00 0.00 C ATOM 333 C THR A 23 -6.763 -3.121 5.814 1.00 0.00 C ATOM 334 O THR A 23 -7.335 -2.875 4.753 1.00 0.00 O ATOM 335 CB THR A 23 -7.798 -1.440 7.286 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.791 -2.374 7.682 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.441 -0.522 6.232 1.00 0.00 C ATOM 0 H THR A 23 -5.724 -0.908 5.363 1.00 0.00 H new ATOM 0 HA THR A 23 -6.104 -2.526 7.763 1.00 0.00 H new ATOM 0 HB THR A 23 -7.478 -0.838 8.136 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.602 -1.895 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.364 -0.101 6.631 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.752 0.285 5.983 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.664 -1.099 5.334 1.00 0.00 H new ATOM 345 N GLY A 24 -6.347 -4.368 6.098 1.00 0.00 N ATOM 346 CA GLY A 24 -6.636 -5.500 5.274 1.00 0.00 C ATOM 347 C GLY A 24 -5.728 -5.677 4.106 1.00 0.00 C ATOM 348 O GLY A 24 -4.837 -4.878 3.825 1.00 0.00 O ATOM 0 H GLY A 24 -5.794 -4.595 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.592 -6.399 5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.660 -5.413 4.909 1.00 0.00 H new ATOM 352 N GLY A 25 -5.947 -6.797 3.394 1.00 0.00 N ATOM 353 CA GLY A 25 -5.139 -7.212 2.289 1.00 0.00 C ATOM 354 C GLY A 25 -4.276 -8.351 2.708 1.00 0.00 C ATOM 355 O GLY A 25 -3.057 -8.223 2.830 1.00 0.00 O ATOM 0 H GLY A 25 -6.715 -7.437 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.772 -7.509 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.523 -6.382 1.943 1.00 0.00 H new ATOM 359 N VAL A 26 -4.925 -9.498 2.976 1.00 0.00 N ATOM 360 CA VAL A 26 -4.317 -10.688 3.485 1.00 0.00 C ATOM 361 C VAL A 26 -4.016 -11.639 2.380 1.00 0.00 C ATOM 362 O VAL A 26 -3.423 -11.260 1.371 1.00 0.00 O ATOM 363 CB VAL A 26 -5.101 -11.245 4.637 1.00 0.00 C ATOM 364 CG1 VAL A 26 -5.077 -10.200 5.767 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.567 -11.555 4.295 1.00 0.00 C ATOM 0 H VAL A 26 -5.929 -9.600 2.829 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.343 -10.456 3.917 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.638 -12.190 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.640 -10.575 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.046 -10.011 6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.528 -9.273 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.070 -11.954 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.067 -10.641 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.605 -12.290 3.491 1.00 0.00 H new ATOM 375 N ASN A 27 -4.398 -12.926 2.468 1.00 0.00 N ATOM 376 CA ASN A 27 -4.136 -13.902 1.456 1.00 0.00 C ATOM 377 C ASN A 27 -4.952 -13.690 0.227 1.00 0.00 C ATOM 378 O ASN A 27 -4.467 -13.826 -0.895 1.00 0.00 O ATOM 379 CB ASN A 27 -4.277 -15.329 2.008 1.00 0.00 C ATOM 380 CG ASN A 27 -5.574 -15.546 2.773 1.00 0.00 C ATOM 381 OD1 ASN A 27 -6.640 -15.780 2.205 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.507 -15.436 4.128 1.00 0.00 N ATOM 0 H ASN A 27 -4.906 -13.299 3.270 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.098 -13.771 1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.226 -16.039 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.434 -15.543 2.665 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.350 -15.548 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.614 -15.242 4.580 1.00 0.00 H new ATOM 389 N THR A 28 -6.231 -13.301 0.379 1.00 0.00 N ATOM 390 CA THR A 28 -7.032 -12.743 -0.665 1.00 0.00 C ATOM 391 C THR A 28 -8.013 -11.868 0.036 1.00 0.00 C ATOM 392 O THR A 28 -8.416 -12.172 1.157 1.00 0.00 O ATOM 393 CB THR A 28 -7.654 -13.777 -1.558 1.00 0.00 C ATOM 394 OG1 THR A 28 -8.372 -13.202 -2.640 1.00 0.00 O ATOM 395 CG2 THR A 28 -8.605 -14.713 -0.793 1.00 0.00 C ATOM 0 H THR A 28 -6.727 -13.379 1.267 1.00 0.00 H new ATOM 0 HA THR A 28 -6.434 -12.169 -1.373 1.00 0.00 H new ATOM 0 HB THR A 28 -6.814 -14.351 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.756 -13.914 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.030 -15.443 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.053 -15.232 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.408 -14.128 -0.344 1.00 0.00 H new ATOM 403 N SER A 29 -8.389 -10.703 -0.523 1.00 0.00 N ATOM 404 CA SER A 29 -9.226 -9.770 0.168 1.00 0.00 C ATOM 405 C SER A 29 -9.969 -8.857 -0.745 1.00 0.00 C ATOM 406 O SER A 29 -11.193 -8.917 -0.839 1.00 0.00 O ATOM 407 CB SER A 29 -8.455 -8.939 1.209 1.00 0.00 C ATOM 408 OG SER A 29 -9.316 -8.163 2.029 1.00 0.00 O ATOM 0 H SER A 29 -8.112 -10.406 -1.459 1.00 0.00 H new ATOM 0 HA SER A 29 -9.955 -10.392 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.864 -9.606 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.754 -8.280 0.697 1.00 0.00 H new ATOM 0 HG SER A 29 -8.782 -7.654 2.675 1.00 0.00 H new ATOM 414 N VAL A 30 -9.275 -7.929 -1.429 1.00 0.00 N ATOM 415 CA VAL A 30 -9.882 -6.807 -2.076 1.00 0.00 C ATOM 416 C VAL A 30 -10.326 -7.114 -3.465 1.00 0.00 C ATOM 417 O VAL A 30 -11.497 -6.951 -3.806 1.00 0.00 O ATOM 418 CB VAL A 30 -8.976 -5.610 -2.079 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.724 -4.376 -2.609 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.473 -5.335 -0.652 1.00 0.00 C ATOM 0 H VAL A 30 -8.261 -7.960 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.770 -6.572 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.127 -5.815 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.055 -3.516 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.065 -4.566 -3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.583 -4.170 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.816 -4.465 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.323 -5.142 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.923 -6.202 -0.287 1.00 0.00 H new ATOM 430 N ARG A 31 -9.396 -7.542 -4.337 1.00 0.00 N ATOM 431 CA ARG A 31 -9.638 -7.743 -5.733 1.00 0.00 C ATOM 432 C ARG A 31 -9.249 -9.132 -6.105 1.00 0.00 C ATOM 433 O ARG A 31 -10.067 -10.050 -6.124 1.00 0.00 O ATOM 434 CB ARG A 31 -8.884 -6.660 -6.523 1.00 0.00 C ATOM 435 CG ARG A 31 -9.287 -6.514 -7.991 1.00 0.00 C ATOM 436 CD ARG A 31 -8.487 -5.476 -8.783 1.00 0.00 C ATOM 437 NE ARG A 31 -8.607 -4.168 -8.078 1.00 0.00 N ATOM 438 CZ ARG A 31 -8.897 -2.972 -8.665 1.00 0.00 C ATOM 439 NH1 ARG A 31 -8.880 -2.768 -10.015 1.00 0.00 N ATOM 440 NH2 ARG A 31 -9.211 -1.916 -7.858 1.00 0.00 N ATOM 0 H ARG A 31 -8.438 -7.757 -4.060 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.696 -7.642 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.035 -5.702 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.817 -6.878 -6.477 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.180 -7.483 -8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.343 -6.249 -8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.441 -5.775 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.868 -5.397 -9.801 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.459 -4.168 -7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.641 -3.535 -10.644 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.107 -1.849 -10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.224 -2.034 -6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.432 -1.009 -8.268 1.00 0.00 H new ATOM 454 N HIS A 32 -7.952 -9.360 -6.379 1.00 0.00 N ATOM 455 CA HIS A 32 -7.344 -10.652 -6.455 1.00 0.00 C ATOM 456 C HIS A 32 -6.118 -10.588 -5.610 1.00 0.00 C ATOM 457 O HIS A 32 -4.994 -10.860 -6.028 1.00 0.00 O ATOM 458 CB HIS A 32 -7.042 -11.049 -7.910 1.00 0.00 C ATOM 459 CG HIS A 32 -6.874 -9.886 -8.842 1.00 0.00 C ATOM 460 ND1 HIS A 32 -5.767 -9.065 -8.777 1.00 0.00 N ATOM 461 CD2 HIS A 32 -7.721 -9.459 -9.817 1.00 0.00 C ATOM 462 CE1 HIS A 32 -5.953 -8.151 -9.712 1.00 0.00 C ATOM 463 NE2 HIS A 32 -7.120 -8.353 -10.380 1.00 0.00 N ATOM 0 H HIS A 32 -7.293 -8.602 -6.557 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.014 -11.429 -6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.133 -11.650 -7.930 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.850 -11.681 -8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.669 -9.896 -10.093 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.265 -7.345 -9.920 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.482 -7.793 -11.151 1.00 0.00 H new ATOM 471 N GLY A 33 -6.300 -10.169 -4.346 1.00 0.00 N ATOM 472 CA GLY A 33 -5.268 -9.677 -3.487 1.00 0.00 C ATOM 473 C GLY A 33 -5.579 -8.246 -3.211 1.00 0.00 C ATOM 474 O GLY A 33 -6.747 -7.893 -3.053 1.00 0.00 O ATOM 0 H GLY A 33 -7.217 -10.174 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.231 -10.250 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.292 -9.775 -3.961 1.00 0.00 H new ATOM 478 N GLY A 34 -4.556 -7.374 -3.176 1.00 0.00 N ATOM 479 CA GLY A 34 -4.721 -5.966 -2.990 1.00 0.00 C ATOM 480 C GLY A 34 -4.737 -5.553 -1.558 1.00 0.00 C ATOM 481 O GLY A 34 -5.168 -6.295 -0.676 1.00 0.00 O ATOM 0 H GLY A 34 -3.582 -7.658 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.913 -5.443 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.653 -5.652 -3.461 1.00 0.00 H new ATOM 485 N ILE A 35 -4.278 -4.320 -1.280 1.00 0.00 N ATOM 486 CA ILE A 35 -4.119 -3.777 0.034 1.00 0.00 C ATOM 487 C ILE A 35 -4.874 -2.493 0.053 1.00 0.00 C ATOM 488 O ILE A 35 -5.001 -1.837 -0.980 1.00 0.00 O ATOM 489 CB ILE A 35 -2.675 -3.538 0.365 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.727 -4.700 0.026 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.497 -3.133 1.838 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.975 -6.015 0.765 1.00 0.00 C ATOM 0 H ILE A 35 -4.003 -3.666 -2.013 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.494 -4.477 0.781 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.385 -2.715 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.791 -4.892 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.706 -4.379 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.440 -2.967 2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.053 -2.216 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.872 -3.928 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.245 -6.757 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.878 -5.853 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.980 -6.374 0.542 1.00 0.00 H new ATOM 504 N TYR A 36 -5.436 -2.083 1.204 1.00 0.00 N ATOM 505 CA TYR A 36 -6.357 -0.995 1.308 1.00 0.00 C ATOM 506 C TYR A 36 -5.918 0.016 2.312 1.00 0.00 C ATOM 507 O TYR A 36 -5.490 -0.319 3.415 1.00 0.00 O ATOM 508 CB TYR A 36 -7.729 -1.547 1.731 1.00 0.00 C ATOM 509 CG TYR A 36 -8.857 -0.887 1.017 1.00 0.00 C ATOM 510 CD1 TYR A 36 -9.454 0.243 1.521 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.330 -1.435 -0.154 1.00 0.00 C ATOM 512 CE1 TYR A 36 -10.507 0.828 0.860 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.386 -0.858 -0.818 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.965 0.285 -0.318 1.00 0.00 C ATOM 515 OH TYR A 36 -12.012 0.906 -1.032 1.00 0.00 O ATOM 0 H TYR A 36 -5.240 -2.529 2.100 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.409 -0.504 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.760 -2.619 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.855 -1.412 2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.093 0.674 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.868 -2.325 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.975 1.713 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.760 -1.301 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.986 1.873 -0.875 1.00 0.00 H new ATOM 525 N VAL A 37 -6.007 1.317 1.983 1.00 0.00 N ATOM 526 CA VAL A 37 -5.612 2.388 2.844 1.00 0.00 C ATOM 527 C VAL A 37 -6.632 2.678 3.892 1.00 0.00 C ATOM 528 O VAL A 37 -7.812 2.861 3.598 1.00 0.00 O ATOM 529 CB VAL A 37 -5.340 3.640 2.063 1.00 0.00 C ATOM 530 CG1 VAL A 37 -4.943 4.821 2.964 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.201 3.386 1.061 1.00 0.00 C ATOM 0 H VAL A 37 -6.368 1.635 1.083 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.697 2.059 3.337 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.265 3.902 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.757 5.702 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.751 5.032 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.039 4.568 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.005 4.296 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.300 3.093 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.490 2.588 0.377 1.00 0.00 H new ATOM 541 N LYS A 38 -6.216 2.768 5.168 1.00 0.00 N ATOM 542 CA LYS A 38 -7.069 3.096 6.268 1.00 0.00 C ATOM 543 C LYS A 38 -7.110 4.571 6.476 1.00 0.00 C ATOM 544 O LYS A 38 -8.170 5.191 6.400 1.00 0.00 O ATOM 545 CB LYS A 38 -6.603 2.395 7.554 1.00 0.00 C ATOM 546 CG LYS A 38 -7.563 2.418 8.744 1.00 0.00 C ATOM 547 CD LYS A 38 -6.940 1.658 9.917 1.00 0.00 C ATOM 548 CE LYS A 38 -7.700 1.615 11.244 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.942 0.815 11.170 1.00 0.00 N ATOM 0 H LYS A 38 -5.248 2.606 5.444 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.073 2.746 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.387 1.354 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.664 2.851 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.774 3.447 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.514 1.964 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.775 0.630 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.959 2.093 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.051 1.199 12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.946 2.632 11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.415 0.821 12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.577 1.224 10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.709 -0.164 10.907 1.00 0.00 H new ATOM 563 N ALA A 39 -5.947 5.194 6.735 1.00 0.00 N ATOM 564 CA ALA A 39 -5.845 6.613 6.884 1.00 0.00 C ATOM 565 C ALA A 39 -4.422 7.042 6.774 1.00 0.00 C ATOM 566 O ALA A 39 -3.494 6.240 6.874 1.00 0.00 O ATOM 567 CB ALA A 39 -6.427 7.094 8.224 1.00 0.00 C ATOM 0 H ALA A 39 -5.060 4.703 6.843 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.429 7.066 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.329 8.177 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.481 6.820 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.885 6.626 9.045 1.00 0.00 H new ATOM 573 N VAL A 40 -4.208 8.351 6.548 1.00 0.00 N ATOM 574 CA VAL A 40 -2.923 8.970 6.454 1.00 0.00 C ATOM 575 C VAL A 40 -2.535 9.497 7.793 1.00 0.00 C ATOM 576 O VAL A 40 -3.326 10.153 8.468 1.00 0.00 O ATOM 577 CB VAL A 40 -2.897 10.065 5.431 1.00 0.00 C ATOM 578 CG1 VAL A 40 -1.457 10.565 5.222 1.00 0.00 C ATOM 579 CG2 VAL A 40 -3.455 9.544 4.096 1.00 0.00 C ATOM 0 H VAL A 40 -4.974 9.013 6.424 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.205 8.217 6.128 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.513 10.890 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.453 11.360 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.065 10.948 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.832 9.741 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.434 10.344 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.845 8.711 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.482 9.208 4.237 1.00 0.00 H new ATOM 589 N ILE A 41 -1.304 9.213 8.253 1.00 0.00 N ATOM 590 CA ILE A 41 -0.815 9.645 9.527 1.00 0.00 C ATOM 591 C ILE A 41 -0.292 11.036 9.422 1.00 0.00 C ATOM 592 O ILE A 41 0.624 11.246 8.628 1.00 0.00 O ATOM 593 CB ILE A 41 0.240 8.717 10.054 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.219 7.249 10.094 1.00 0.00 C ATOM 595 CG2 ILE A 41 0.720 9.166 11.444 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.414 6.966 11.004 1.00 0.00 C ATOM 0 H ILE A 41 -0.627 8.665 7.722 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.643 9.629 10.235 1.00 0.00 H new ATOM 0 HB ILE A 41 1.074 8.770 9.354 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.472 6.936 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.619 6.632 10.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.484 8.478 11.805 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.138 10.170 11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.122 9.169 12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.660 5.905 10.963 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.164 7.241 12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.272 7.550 10.670 1.00 0.00 H new ATOM 608 N PRO A 42 -0.751 12.040 10.110 1.00 0.00 N ATOM 609 CA PRO A 42 -0.236 13.372 9.984 1.00 0.00 C ATOM 610 C PRO A 42 1.031 13.577 10.740 1.00 0.00 C ATOM 611 O PRO A 42 1.062 14.317 11.723 1.00 0.00 O ATOM 612 CB PRO A 42 -1.374 14.243 10.512 1.00 0.00 C ATOM 613 CG PRO A 42 -2.024 13.381 11.607 1.00 0.00 C ATOM 614 CD PRO A 42 -1.883 11.968 11.021 1.00 0.00 C ATOM 0 HA PRO A 42 0.041 13.613 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.002 15.185 10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.085 14.491 9.724 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.511 13.480 12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.066 13.652 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.709 11.232 11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.790 11.667 10.497 1.00 0.00 H new ATOM 622 N GLN A 43 2.128 12.925 10.315 1.00 0.00 N ATOM 623 CA GLN A 43 3.415 13.040 10.929 1.00 0.00 C ATOM 624 C GLN A 43 4.516 12.958 9.928 1.00 0.00 C ATOM 625 O GLN A 43 5.684 12.830 10.291 1.00 0.00 O ATOM 626 CB GLN A 43 3.652 11.890 11.923 1.00 0.00 C ATOM 627 CG GLN A 43 2.735 11.861 13.147 1.00 0.00 C ATOM 628 CD GLN A 43 3.041 10.617 13.968 1.00 0.00 C ATOM 629 OE1 GLN A 43 3.950 9.853 13.648 1.00 0.00 O ATOM 630 NE2 GLN A 43 2.245 10.384 15.046 1.00 0.00 N ATOM 0 H GLN A 43 2.119 12.294 9.514 1.00 0.00 H new ATOM 0 HA GLN A 43 3.422 14.009 11.428 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.542 10.946 11.389 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.684 11.942 12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.885 12.756 13.751 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.691 11.858 12.835 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.500 11.040 15.281 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.393 9.553 15.619 1.00 0.00 H new ATOM 639 N GLY A 44 4.227 12.992 8.615 1.00 0.00 N ATOM 640 CA GLY A 44 5.274 12.742 7.674 1.00 0.00 C ATOM 641 C GLY A 44 4.892 12.959 6.250 1.00 0.00 C ATOM 642 O GLY A 44 3.931 13.656 5.925 1.00 0.00 O ATOM 0 H GLY A 44 3.308 13.184 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.120 13.387 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.614 11.713 7.793 1.00 0.00 H new ATOM 646 N ALA A 45 5.669 12.326 5.353 1.00 0.00 N ATOM 647 CA ALA A 45 5.697 12.518 3.935 1.00 0.00 C ATOM 648 C ALA A 45 4.403 12.338 3.220 1.00 0.00 C ATOM 649 O ALA A 45 4.050 13.157 2.373 1.00 0.00 O ATOM 650 CB ALA A 45 6.756 11.572 3.343 1.00 0.00 C ATOM 0 H ALA A 45 6.338 11.615 5.649 1.00 0.00 H new ATOM 0 HA ALA A 45 5.939 13.570 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.795 11.701 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.731 11.804 3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.493 10.540 3.576 1.00 0.00 H new ATOM 656 N ALA A 46 3.620 11.294 3.546 1.00 0.00 N ATOM 657 CA ALA A 46 2.357 11.017 2.934 1.00 0.00 C ATOM 658 C ALA A 46 1.347 12.102 3.082 1.00 0.00 C ATOM 659 O ALA A 46 0.637 12.446 2.138 1.00 0.00 O ATOM 660 CB ALA A 46 1.800 9.694 3.488 1.00 0.00 C ATOM 0 H ALA A 46 3.877 10.616 4.264 1.00 0.00 H new ATOM 0 HA ALA A 46 2.547 10.942 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.837 9.481 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.496 8.885 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.671 9.777 4.567 1.00 0.00 H new ATOM 666 N GLU A 47 1.270 12.720 4.273 1.00 0.00 N ATOM 667 CA GLU A 47 0.439 13.850 4.552 1.00 0.00 C ATOM 668 C GLU A 47 0.980 15.094 3.935 1.00 0.00 C ATOM 669 O GLU A 47 0.276 15.812 3.227 1.00 0.00 O ATOM 670 CB GLU A 47 0.289 14.025 6.073 1.00 0.00 C ATOM 671 CG GLU A 47 -0.729 15.076 6.516 1.00 0.00 C ATOM 672 CD GLU A 47 -0.168 16.480 6.689 1.00 0.00 C ATOM 673 OE1 GLU A 47 0.815 16.648 7.459 1.00 0.00 O ATOM 674 OE2 GLU A 47 -0.740 17.445 6.115 1.00 0.00 O ATOM 0 H GLU A 47 1.814 12.417 5.081 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.541 13.667 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.006 13.065 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.262 14.288 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.535 15.111 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.170 14.758 7.461 1.00 0.00 H new ATOM 681 N SER A 48 2.279 15.356 4.166 1.00 0.00 N ATOM 682 CA SER A 48 3.033 16.485 3.717 1.00 0.00 C ATOM 683 C SER A 48 3.003 16.701 2.243 1.00 0.00 C ATOM 684 O SER A 48 2.612 17.766 1.767 1.00 0.00 O ATOM 685 CB SER A 48 4.483 16.341 4.207 1.00 0.00 C ATOM 686 OG SER A 48 5.298 17.484 3.991 1.00 0.00 O ATOM 0 H SER A 48 2.852 14.718 4.718 1.00 0.00 H new ATOM 0 HA SER A 48 2.559 17.369 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.471 16.116 5.273 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.938 15.487 3.706 1.00 0.00 H new ATOM 0 HG SER A 48 6.201 17.311 4.331 1.00 0.00 H new ATOM 692 N ASP A 49 3.383 15.690 1.441 1.00 0.00 N ATOM 693 CA ASP A 49 3.450 15.787 0.016 1.00 0.00 C ATOM 694 C ASP A 49 2.104 15.656 -0.611 1.00 0.00 C ATOM 695 O ASP A 49 1.728 16.430 -1.489 1.00 0.00 O ATOM 696 CB ASP A 49 4.456 14.752 -0.514 1.00 0.00 C ATOM 697 CG ASP A 49 5.252 15.337 -1.672 1.00 0.00 C ATOM 698 OD1 ASP A 49 4.626 15.809 -2.659 1.00 0.00 O ATOM 699 OD2 ASP A 49 6.504 15.426 -1.557 1.00 0.00 O ATOM 0 H ASP A 49 3.653 14.773 1.797 1.00 0.00 H new ATOM 0 HA ASP A 49 3.804 16.780 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.132 14.449 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.929 13.856 -0.842 1.00 0.00 H new ATOM 704 N GLY A 50 1.302 14.680 -0.148 1.00 0.00 N ATOM 705 CA GLY A 50 -0.069 14.519 -0.524 1.00 0.00 C ATOM 706 C GLY A 50 -0.248 13.819 -1.827 1.00 0.00 C ATOM 707 O GLY A 50 -0.279 14.453 -2.881 1.00 0.00 O ATOM 0 H GLY A 50 1.622 13.974 0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.588 13.960 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.540 15.500 -0.580 1.00 0.00 H new ATOM 711 N ARG A 51 -0.387 12.482 -1.815 1.00 0.00 N ATOM 712 CA ARG A 51 -0.403 11.679 -2.998 1.00 0.00 C ATOM 713 C ARG A 51 -1.487 10.659 -2.920 1.00 0.00 C ATOM 714 O ARG A 51 -2.263 10.478 -3.857 1.00 0.00 O ATOM 715 CB ARG A 51 0.915 10.910 -3.188 1.00 0.00 C ATOM 716 CG ARG A 51 2.218 11.699 -3.336 1.00 0.00 C ATOM 717 CD ARG A 51 2.429 12.464 -4.644 1.00 0.00 C ATOM 718 NE ARG A 51 1.846 13.822 -4.451 1.00 0.00 N ATOM 719 CZ ARG A 51 2.334 14.968 -5.009 1.00 0.00 C ATOM 720 NH1 ARG A 51 3.214 14.968 -6.053 1.00 0.00 N ATOM 721 NH2 ARG A 51 1.938 16.174 -4.508 1.00 0.00 N ATOM 0 H ARG A 51 -0.492 11.943 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.558 12.365 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.031 10.240 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.806 10.284 -4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.275 12.413 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.049 11.004 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.490 12.530 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.944 11.950 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 51 1.020 13.901 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.535 14.085 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.551 15.851 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.285 16.212 -3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.295 17.038 -4.916 1.00 0.00 H new ATOM 735 N ILE A 52 -1.620 9.967 -1.775 1.00 0.00 N ATOM 736 CA ILE A 52 -2.454 8.817 -1.605 1.00 0.00 C ATOM 737 C ILE A 52 -3.313 9.155 -0.435 1.00 0.00 C ATOM 738 O ILE A 52 -2.812 9.668 0.563 1.00 0.00 O ATOM 739 CB ILE A 52 -1.658 7.589 -1.277 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.538 7.324 -2.298 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.598 6.376 -1.179 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.449 6.243 -1.862 1.00 0.00 C ATOM 0 H ILE A 52 -1.120 10.223 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.008 8.599 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.172 7.756 -0.316 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.986 7.032 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.007 8.251 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.018 5.484 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.335 6.549 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.108 6.233 -2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.209 6.112 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.926 6.541 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.083 5.303 -1.714 1.00 0.00 H new ATOM 754 N HIS A 53 -4.636 8.926 -0.516 1.00 0.00 N ATOM 755 CA HIS A 53 -5.536 9.297 0.531 1.00 0.00 C ATOM 756 C HIS A 53 -6.330 8.137 1.025 1.00 0.00 C ATOM 757 O HIS A 53 -6.152 6.990 0.617 1.00 0.00 O ATOM 758 CB HIS A 53 -6.395 10.522 0.173 1.00 0.00 C ATOM 759 CG HIS A 53 -7.506 10.384 -0.825 1.00 0.00 C ATOM 760 ND1 HIS A 53 -8.212 11.529 -1.138 1.00 0.00 N ATOM 761 CD2 HIS A 53 -8.030 9.308 -1.471 1.00 0.00 C ATOM 762 CE1 HIS A 53 -9.160 11.129 -1.965 1.00 0.00 C ATOM 763 NE2 HIS A 53 -9.090 9.794 -2.209 1.00 0.00 N ATOM 0 H HIS A 53 -5.086 8.479 -1.315 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.923 9.618 1.373 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.833 10.894 1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.721 11.296 -0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.688 8.285 -1.418 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.902 11.784 -2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.703 9.255 -2.820 1.00 0.00 H new ATOM 771 N LYS A 54 -7.235 8.389 1.987 1.00 0.00 N ATOM 772 CA LYS A 54 -8.077 7.410 2.601 1.00 0.00 C ATOM 773 C LYS A 54 -8.930 6.626 1.664 1.00 0.00 C ATOM 774 O LYS A 54 -9.716 7.152 0.877 1.00 0.00 O ATOM 775 CB LYS A 54 -8.923 8.107 3.680 1.00 0.00 C ATOM 776 CG LYS A 54 -9.995 7.259 4.369 1.00 0.00 C ATOM 777 CD LYS A 54 -10.708 8.061 5.458 1.00 0.00 C ATOM 778 CE LYS A 54 -9.884 8.247 6.734 1.00 0.00 C ATOM 779 NZ LYS A 54 -10.466 9.351 7.527 1.00 0.00 N ATOM 0 H LYS A 54 -7.387 9.327 2.356 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.421 6.658 3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.249 8.490 4.446 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.412 8.969 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.720 6.914 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.537 6.372 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.969 9.042 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.642 7.560 5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.880 7.326 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.847 8.470 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.911 9.484 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.448 10.227 6.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.449 9.119 7.776 1.00 0.00 H new ATOM 793 N GLY A 55 -8.813 5.289 1.739 1.00 0.00 N ATOM 794 CA GLY A 55 -9.513 4.360 0.906 1.00 0.00 C ATOM 795 C GLY A 55 -9.026 4.183 -0.491 1.00 0.00 C ATOM 796 O GLY A 55 -9.744 3.599 -1.301 1.00 0.00 O ATOM 0 H GLY A 55 -8.200 4.833 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.490 3.386 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.557 4.670 0.861 1.00 0.00 H new ATOM 800 N ASP A 56 -7.794 4.609 -0.818 1.00 0.00 N ATOM 801 CA ASP A 56 -7.138 4.256 -2.039 1.00 0.00 C ATOM 802 C ASP A 56 -6.694 2.834 -2.061 1.00 0.00 C ATOM 803 O ASP A 56 -6.600 2.154 -1.041 1.00 0.00 O ATOM 804 CB ASP A 56 -5.937 5.176 -2.318 1.00 0.00 C ATOM 805 CG ASP A 56 -6.346 6.497 -2.955 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.359 6.512 -3.704 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.619 7.505 -2.744 1.00 0.00 O ATOM 0 H ASP A 56 -7.237 5.216 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.880 4.387 -2.826 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.412 5.375 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.235 4.662 -2.975 1.00 0.00 H new ATOM 812 N ARG A 57 -6.420 2.312 -3.270 1.00 0.00 N ATOM 813 CA ARG A 57 -6.112 0.934 -3.496 1.00 0.00 C ATOM 814 C ARG A 57 -4.785 0.829 -4.166 1.00 0.00 C ATOM 815 O ARG A 57 -4.611 1.256 -5.305 1.00 0.00 O ATOM 816 CB ARG A 57 -7.132 0.263 -4.432 1.00 0.00 C ATOM 817 CG ARG A 57 -8.537 0.035 -3.872 1.00 0.00 C ATOM 818 CD ARG A 57 -9.480 1.235 -3.975 1.00 0.00 C ATOM 819 NE ARG A 57 -10.866 0.775 -3.678 1.00 0.00 N ATOM 820 CZ ARG A 57 -11.651 0.093 -4.562 1.00 0.00 C ATOM 821 NH1 ARG A 57 -11.357 0.023 -5.893 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.760 -0.580 -4.138 1.00 0.00 N ATOM 0 H ARG A 57 -6.413 2.871 -4.123 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.125 0.440 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.220 0.872 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.728 -0.702 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.988 -0.808 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.451 -0.251 -2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.181 2.013 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.431 1.670 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.252 0.983 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.527 0.490 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.968 -0.496 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.011 -0.577 -3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.338 -1.086 -4.810 1.00 0.00 H new ATOM 836 N VAL A 58 -3.771 0.234 -3.511 1.00 0.00 N ATOM 837 CA VAL A 58 -2.516 -0.043 -4.136 1.00 0.00 C ATOM 838 C VAL A 58 -2.566 -1.364 -4.824 1.00 0.00 C ATOM 839 O VAL A 58 -3.287 -2.266 -4.400 1.00 0.00 O ATOM 840 CB VAL A 58 -1.347 -0.008 -3.196 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.203 1.399 -2.590 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.492 -1.043 -2.067 1.00 0.00 C ATOM 0 H VAL A 58 -3.824 -0.058 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.357 0.759 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.455 -0.258 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.352 1.416 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.044 2.124 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.111 1.654 -2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.626 -0.986 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.397 -0.834 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.556 -2.043 -2.496 1.00 0.00 H new ATOM 852 N LEU A 59 -1.831 -1.520 -5.939 1.00 0.00 N ATOM 853 CA LEU A 59 -1.763 -2.752 -6.660 1.00 0.00 C ATOM 854 C LEU A 59 -0.353 -3.158 -6.913 1.00 0.00 C ATOM 855 O LEU A 59 0.187 -4.001 -6.196 1.00 0.00 O ATOM 856 CB LEU A 59 -2.573 -2.701 -7.967 1.00 0.00 C ATOM 857 CG LEU A 59 -4.097 -2.701 -7.761 1.00 0.00 C ATOM 858 CD1 LEU A 59 -4.840 -2.416 -9.078 1.00 0.00 C ATOM 859 CD2 LEU A 59 -4.608 -4.027 -7.174 1.00 0.00 C ATOM 0 H LEU A 59 -1.271 -0.772 -6.349 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.220 -3.515 -6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.292 -1.806 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.301 -3.557 -8.585 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.304 -1.905 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.915 -2.423 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.542 -1.439 -9.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.590 -3.184 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.689 -3.976 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.360 -4.844 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.138 -4.202 -6.206 1.00 0.00 H new ATOM 871 N ALA A 60 0.317 -2.602 -7.938 1.00 0.00 N ATOM 872 CA ALA A 60 1.571 -3.113 -8.399 1.00 0.00 C ATOM 873 C ALA A 60 2.764 -2.414 -7.843 1.00 0.00 C ATOM 874 O ALA A 60 2.822 -1.189 -7.744 1.00 0.00 O ATOM 875 CB ALA A 60 1.622 -3.102 -9.936 1.00 0.00 C ATOM 0 H ALA A 60 -0.015 -1.787 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 60 1.624 -4.136 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.582 -3.494 -10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.819 -3.724 -10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.501 -2.081 -10.297 1.00 0.00 H new ATOM 881 N VAL A 61 3.795 -3.194 -7.474 1.00 0.00 N ATOM 882 CA VAL A 61 5.017 -2.757 -6.871 1.00 0.00 C ATOM 883 C VAL A 61 6.057 -2.589 -7.925 1.00 0.00 C ATOM 884 O VAL A 61 6.747 -3.530 -8.313 1.00 0.00 O ATOM 885 CB VAL A 61 5.487 -3.710 -5.812 1.00 0.00 C ATOM 886 CG1 VAL A 61 6.782 -3.207 -5.154 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.402 -3.864 -4.733 1.00 0.00 C ATOM 0 H VAL A 61 3.772 -4.205 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 61 4.835 -1.800 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 61 5.684 -4.672 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.101 -3.916 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.561 -3.113 -5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.603 -2.235 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.748 -4.557 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.199 -2.894 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.490 -4.251 -5.187 1.00 0.00 H new ATOM 897 N ASN A 62 6.160 -1.374 -8.491 1.00 0.00 N ATOM 898 CA ASN A 62 7.062 -1.010 -9.540 1.00 0.00 C ATOM 899 C ASN A 62 6.908 -1.874 -10.744 1.00 0.00 C ATOM 900 O ASN A 62 7.863 -2.452 -11.261 1.00 0.00 O ATOM 901 CB ASN A 62 8.497 -0.780 -9.038 1.00 0.00 C ATOM 902 CG ASN A 62 9.481 -0.249 -10.072 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.666 -0.578 -10.041 1.00 0.00 O ATOM 904 ND2 ASN A 62 9.020 0.600 -11.028 1.00 0.00 N ATOM 0 H ASN A 62 5.573 -0.594 -8.196 1.00 0.00 H new ATOM 0 HA ASN A 62 6.775 -0.023 -9.903 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.462 -0.080 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.881 -1.722 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.659 0.972 -11.731 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.035 0.865 -11.043 1.00 0.00 H new ATOM 911 N GLY A 63 5.664 -2.034 -11.230 1.00 0.00 N ATOM 912 CA GLY A 63 5.361 -2.848 -12.366 1.00 0.00 C ATOM 913 C GLY A 63 4.821 -4.190 -12.013 1.00 0.00 C ATOM 914 O GLY A 63 3.942 -4.707 -12.702 1.00 0.00 O ATOM 0 H GLY A 63 4.845 -1.584 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.636 -2.328 -12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.264 -2.975 -12.962 1.00 0.00 H new ATOM 918 N VAL A 64 5.317 -4.814 -10.928 1.00 0.00 N ATOM 919 CA VAL A 64 5.040 -6.175 -10.593 1.00 0.00 C ATOM 920 C VAL A 64 3.772 -6.321 -9.823 1.00 0.00 C ATOM 921 O VAL A 64 3.573 -5.707 -8.776 1.00 0.00 O ATOM 922 CB VAL A 64 6.167 -6.788 -9.816 1.00 0.00 C ATOM 923 CG1 VAL A 64 5.924 -8.285 -9.559 1.00 0.00 C ATOM 924 CG2 VAL A 64 7.475 -6.619 -10.606 1.00 0.00 C ATOM 0 H VAL A 64 5.934 -4.352 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 64 4.928 -6.703 -11.540 1.00 0.00 H new ATOM 0 HB VAL A 64 6.232 -6.282 -8.853 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.760 -8.697 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.003 -8.412 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.837 -8.808 -10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.298 -7.063 -10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.384 -7.116 -11.572 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.672 -5.558 -10.761 1.00 0.00 H new ATOM 934 N SER A 65 2.837 -7.149 -10.321 1.00 0.00 N ATOM 935 CA SER A 65 1.617 -7.479 -9.652 1.00 0.00 C ATOM 936 C SER A 65 1.855 -8.487 -8.581 1.00 0.00 C ATOM 937 O SER A 65 2.498 -9.513 -8.796 1.00 0.00 O ATOM 938 CB SER A 65 0.556 -8.001 -10.635 1.00 0.00 C ATOM 939 OG SER A 65 -0.763 -7.864 -10.128 1.00 0.00 O ATOM 0 H SER A 65 2.935 -7.607 -11.227 1.00 0.00 H new ATOM 0 HA SER A 65 1.240 -6.562 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.639 -7.459 -11.577 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.752 -9.051 -10.853 1.00 0.00 H new ATOM 0 HG SER A 65 -1.404 -8.206 -10.786 1.00 0.00 H new ATOM 945 N LEU A 66 1.372 -8.242 -7.349 1.00 0.00 N ATOM 946 CA LEU A 66 1.790 -8.957 -6.183 1.00 0.00 C ATOM 947 C LEU A 66 0.890 -10.097 -5.851 1.00 0.00 C ATOM 948 O LEU A 66 0.407 -10.276 -4.735 1.00 0.00 O ATOM 949 CB LEU A 66 1.919 -7.943 -5.034 1.00 0.00 C ATOM 950 CG LEU A 66 2.992 -8.290 -3.988 1.00 0.00 C ATOM 951 CD1 LEU A 66 4.420 -8.160 -4.545 1.00 0.00 C ATOM 952 CD2 LEU A 66 2.824 -7.372 -2.766 1.00 0.00 C ATOM 0 H LEU A 66 0.671 -7.526 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 66 2.757 -9.426 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.145 -6.964 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.955 -7.859 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 66 2.852 -9.333 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.139 -8.416 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.544 -8.837 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.591 -7.135 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.583 -7.614 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.937 -6.332 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.833 -7.518 -2.335 1.00 0.00 H new ATOM 964 N GLU A 67 0.634 -10.960 -6.851 1.00 0.00 N ATOM 965 CA GLU A 67 -0.290 -12.051 -6.795 1.00 0.00 C ATOM 966 C GLU A 67 0.098 -13.142 -5.858 1.00 0.00 C ATOM 967 O GLU A 67 1.173 -13.733 -5.947 1.00 0.00 O ATOM 968 CB GLU A 67 -0.452 -12.640 -8.206 1.00 0.00 C ATOM 969 CG GLU A 67 -1.114 -11.690 -9.206 1.00 0.00 C ATOM 970 CD GLU A 67 -1.060 -12.254 -10.618 1.00 0.00 C ATOM 971 OE1 GLU A 67 -1.436 -13.438 -10.824 1.00 0.00 O ATOM 972 OE2 GLU A 67 -0.615 -11.526 -11.547 1.00 0.00 O ATOM 0 H GLU A 67 1.102 -10.891 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.224 -11.639 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.530 -12.923 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.044 -13.553 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.152 -11.520 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.613 -10.722 -9.179 1.00 0.00 H new ATOM 979 N GLY A 68 -0.782 -13.477 -4.898 1.00 0.00 N ATOM 980 CA GLY A 68 -0.584 -14.538 -3.961 1.00 0.00 C ATOM 981 C GLY A 68 0.074 -14.121 -2.690 1.00 0.00 C ATOM 982 O GLY A 68 0.229 -14.928 -1.776 1.00 0.00 O ATOM 0 H GLY A 68 -1.668 -12.988 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.550 -14.985 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.020 -15.314 -4.431 1.00 0.00 H new ATOM 986 N ALA A 69 0.501 -12.850 -2.579 1.00 0.00 N ATOM 987 CA ALA A 69 1.170 -12.353 -1.417 1.00 0.00 C ATOM 988 C ALA A 69 0.244 -12.094 -0.279 1.00 0.00 C ATOM 989 O ALA A 69 -0.890 -11.653 -0.455 1.00 0.00 O ATOM 990 CB ALA A 69 1.934 -11.063 -1.761 1.00 0.00 C ATOM 0 H ALA A 69 0.379 -12.152 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 69 1.864 -13.131 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.440 -10.692 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.671 -11.272 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.233 -10.310 -2.120 1.00 0.00 H new ATOM 996 N THR A 70 0.713 -12.368 0.953 1.00 0.00 N ATOM 997 CA THR A 70 0.026 -12.091 2.176 1.00 0.00 C ATOM 998 C THR A 70 0.291 -10.697 2.634 1.00 0.00 C ATOM 999 O THR A 70 1.102 -9.962 2.072 1.00 0.00 O ATOM 1000 CB THR A 70 0.418 -13.045 3.264 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.829 -13.198 3.328 1.00 0.00 O ATOM 1002 CG2 THR A 70 -0.196 -14.425 2.975 1.00 0.00 C ATOM 0 H THR A 70 1.622 -12.807 1.102 1.00 0.00 H new ATOM 0 HA THR A 70 -1.038 -12.212 1.971 1.00 0.00 H new ATOM 0 HB THR A 70 0.056 -12.643 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.058 -13.824 4.047 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.087 -15.122 3.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.282 -14.340 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.171 -14.793 2.017 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.366 -10.280 3.730 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.281 -8.968 4.293 1.00 0.00 C ATOM 1012 C HIS A 71 1.108 -8.610 4.697 1.00 0.00 C ATOM 1013 O HIS A 71 1.605 -7.529 4.384 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.244 -8.850 5.486 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.591 -7.456 5.915 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -1.973 -6.475 5.022 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.664 -6.885 7.147 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -2.218 -5.353 5.750 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -2.065 -5.569 7.043 1.00 0.00 N ATOM 0 H HIS A 71 -0.992 -10.893 4.253 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.573 -8.257 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.167 -9.372 5.235 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.804 -9.371 6.336 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.056 -6.573 4.010 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.440 -7.390 8.075 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.503 -4.403 5.323 1.00 0.00 H new ATOM 1027 N LYS A 72 1.802 -9.564 5.342 1.00 0.00 N ATOM 1028 CA LYS A 72 3.178 -9.528 5.731 1.00 0.00 C ATOM 1029 C LYS A 72 4.153 -9.366 4.616 1.00 0.00 C ATOM 1030 O LYS A 72 5.115 -8.608 4.727 1.00 0.00 O ATOM 1031 CB LYS A 72 3.481 -10.830 6.491 1.00 0.00 C ATOM 1032 CG LYS A 72 4.910 -11.004 7.007 1.00 0.00 C ATOM 1033 CD LYS A 72 5.327 -9.997 8.080 1.00 0.00 C ATOM 1034 CE LYS A 72 6.707 -10.277 8.681 1.00 0.00 C ATOM 1035 NZ LYS A 72 7.789 -9.902 7.743 1.00 0.00 N ATOM 0 H LYS A 72 1.358 -10.440 5.616 1.00 0.00 H new ATOM 0 HA LYS A 72 3.307 -8.637 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.802 -10.895 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.251 -11.669 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.016 -12.011 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.598 -10.924 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.325 -8.996 7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.585 -10.001 8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.820 -9.720 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.789 -11.335 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.712 -10.104 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.693 -10.451 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.723 -8.887 7.525 1.00 0.00 H new ATOM 1049 N GLN A 73 3.952 -10.041 3.469 1.00 0.00 N ATOM 1050 CA GLN A 73 4.841 -9.995 2.350 1.00 0.00 C ATOM 1051 C GLN A 73 4.783 -8.689 1.633 1.00 0.00 C ATOM 1052 O GLN A 73 5.793 -8.137 1.202 1.00 0.00 O ATOM 1053 CB GLN A 73 4.513 -11.143 1.381 1.00 0.00 C ATOM 1054 CG GLN A 73 4.805 -12.532 1.949 1.00 0.00 C ATOM 1055 CD GLN A 73 6.282 -12.746 2.250 1.00 0.00 C ATOM 1056 OE1 GLN A 73 6.704 -12.852 3.401 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.104 -12.830 1.171 1.00 0.00 N ATOM 0 H GLN A 73 3.141 -10.640 3.316 1.00 0.00 H new ATOM 0 HA GLN A 73 5.856 -10.108 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.459 -11.086 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.087 -11.007 0.464 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.228 -12.675 2.863 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.470 -13.288 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.721 -12.738 0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.104 -12.985 1.302 1.00 0.00 H new ATOM 1066 N ALA A 74 3.576 -8.104 1.526 1.00 0.00 N ATOM 1067 CA ALA A 74 3.368 -6.777 1.035 1.00 0.00 C ATOM 1068 C ALA A 74 3.918 -5.720 1.929 1.00 0.00 C ATOM 1069 O ALA A 74 4.458 -4.718 1.463 1.00 0.00 O ATOM 1070 CB ALA A 74 1.861 -6.585 0.796 1.00 0.00 C ATOM 0 H ALA A 74 2.711 -8.574 1.792 1.00 0.00 H new ATOM 0 HA ALA A 74 3.919 -6.666 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.678 -5.578 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.513 -7.314 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.323 -6.726 1.733 1.00 0.00 H new ATOM 1076 N VAL A 75 3.878 -5.930 3.257 1.00 0.00 N ATOM 1077 CA VAL A 75 4.524 -5.120 4.243 1.00 0.00 C ATOM 1078 C VAL A 75 6.009 -5.130 4.125 1.00 0.00 C ATOM 1079 O VAL A 75 6.627 -4.070 4.044 1.00 0.00 O ATOM 1080 CB VAL A 75 4.075 -5.473 5.630 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.984 -4.956 6.759 1.00 0.00 C ATOM 1082 CG2 VAL A 75 2.670 -4.873 5.814 1.00 0.00 C ATOM 0 H VAL A 75 3.365 -6.711 3.666 1.00 0.00 H new ATOM 0 HA VAL A 75 4.212 -4.095 4.045 1.00 0.00 H new ATOM 0 HB VAL A 75 4.101 -6.560 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.577 -5.261 7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.985 -5.372 6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.036 -3.868 6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.303 -5.106 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.717 -3.791 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.994 -5.296 5.071 1.00 0.00 H new ATOM 1092 N GLU A 76 6.657 -6.307 4.069 1.00 0.00 N ATOM 1093 CA GLU A 76 8.079 -6.434 3.986 1.00 0.00 C ATOM 1094 C GLU A 76 8.682 -5.803 2.779 1.00 0.00 C ATOM 1095 O GLU A 76 9.696 -5.112 2.855 1.00 0.00 O ATOM 1096 CB GLU A 76 8.504 -7.908 4.099 1.00 0.00 C ATOM 1097 CG GLU A 76 10.013 -8.078 4.286 1.00 0.00 C ATOM 1098 CD GLU A 76 10.407 -9.494 4.683 1.00 0.00 C ATOM 1099 OE1 GLU A 76 10.317 -10.414 3.828 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.829 -9.709 5.850 1.00 0.00 O ATOM 0 H GLU A 76 6.172 -7.204 4.082 1.00 0.00 H new ATOM 0 HA GLU A 76 8.471 -5.876 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.984 -8.368 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.192 -8.441 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.521 -7.812 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.360 -7.382 5.050 1.00 0.00 H new ATOM 1107 N THR A 77 8.035 -5.932 1.608 1.00 0.00 N ATOM 1108 CA THR A 77 8.456 -5.296 0.398 1.00 0.00 C ATOM 1109 C THR A 77 8.263 -3.818 0.395 1.00 0.00 C ATOM 1110 O THR A 77 8.901 -3.104 -0.378 1.00 0.00 O ATOM 1111 CB THR A 77 7.846 -5.905 -0.830 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.441 -6.073 -0.713 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.428 -7.310 -1.058 1.00 0.00 C ATOM 0 H THR A 77 7.192 -6.496 1.499 1.00 0.00 H new ATOM 0 HA THR A 77 9.530 -5.478 0.365 1.00 0.00 H new ATOM 0 HB THR A 77 8.069 -5.223 -1.650 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.250 -6.869 -0.173 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.982 -7.748 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.508 -7.240 -1.189 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.207 -7.940 -0.196 1.00 0.00 H new ATOM 1121 N LEU A 78 7.415 -3.263 1.278 1.00 0.00 N ATOM 1122 CA LEU A 78 7.281 -1.857 1.503 1.00 0.00 C ATOM 1123 C LEU A 78 8.262 -1.323 2.489 1.00 0.00 C ATOM 1124 O LEU A 78 8.542 -0.125 2.513 1.00 0.00 O ATOM 1125 CB LEU A 78 5.847 -1.501 1.929 1.00 0.00 C ATOM 1126 CG LEU A 78 5.039 -0.797 0.825 1.00 0.00 C ATOM 1127 CD1 LEU A 78 3.534 -0.820 1.137 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.513 0.652 0.618 1.00 0.00 C ATOM 0 H LEU A 78 6.793 -3.821 1.863 1.00 0.00 H new ATOM 0 HA LEU A 78 7.501 -1.377 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.327 -2.412 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.886 -0.857 2.807 1.00 0.00 H new ATOM 0 HG LEU A 78 5.210 -1.349 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.989 -0.315 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.194 -1.853 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.350 -0.308 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.921 1.120 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.390 1.211 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.564 0.653 0.330 1.00 0.00 H new ATOM 1140 N ARG A 79 8.869 -2.177 3.331 1.00 0.00 N ATOM 1141 CA ARG A 79 9.970 -1.813 4.166 1.00 0.00 C ATOM 1142 C ARG A 79 11.240 -1.778 3.387 1.00 0.00 C ATOM 1143 O ARG A 79 12.023 -0.835 3.486 1.00 0.00 O ATOM 1144 CB ARG A 79 10.103 -2.758 5.372 1.00 0.00 C ATOM 1145 CG ARG A 79 8.909 -2.733 6.329 1.00 0.00 C ATOM 1146 CD ARG A 79 8.686 -1.401 7.046 1.00 0.00 C ATOM 1147 NE ARG A 79 7.379 -1.460 7.758 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.220 -1.751 9.083 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.235 -2.214 9.870 1.00 0.00 N ATOM 1150 NH2 ARG A 79 5.992 -1.561 9.649 1.00 0.00 N ATOM 0 H ARG A 79 8.585 -3.151 3.434 1.00 0.00 H new ATOM 0 HA ARG A 79 9.771 -0.812 4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.240 -3.776 5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.004 -2.495 5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.008 -2.983 5.769 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.046 -3.513 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.494 -1.211 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.690 -0.580 6.329 1.00 0.00 H new ATOM 0 HE ARG A 79 6.538 -1.268 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.164 -2.357 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.065 -2.417 10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.219 -1.209 9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.848 -1.771 10.637 1.00 0.00 H new ATOM 1164 N ASN A 80 11.471 -2.792 2.533 1.00 0.00 N ATOM 1165 CA ASN A 80 12.588 -2.874 1.644 1.00 0.00 C ATOM 1166 C ASN A 80 12.381 -2.114 0.380 1.00 0.00 C ATOM 1167 O ASN A 80 12.343 -2.674 -0.715 1.00 0.00 O ATOM 1168 CB ASN A 80 12.894 -4.341 1.299 1.00 0.00 C ATOM 1169 CG ASN A 80 13.473 -5.081 2.496 1.00 0.00 C ATOM 1170 OD1 ASN A 80 12.886 -6.015 3.040 1.00 0.00 O ATOM 1171 ND2 ASN A 80 14.704 -4.677 2.907 1.00 0.00 N ATOM 0 H ASN A 80 10.846 -3.595 2.460 1.00 0.00 H new ATOM 0 HA ASN A 80 13.429 -2.423 2.171 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.981 -4.837 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 80 13.598 -4.382 0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 80 15.163 -5.151 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.168 -3.899 2.438 1.00 0.00 H new ATOM 1178 N THR A 81 12.266 -0.777 0.480 1.00 0.00 N ATOM 1179 CA THR A 81 12.115 0.140 -0.606 1.00 0.00 C ATOM 1180 C THR A 81 13.414 0.785 -0.945 1.00 0.00 C ATOM 1181 O THR A 81 14.041 0.473 -1.957 1.00 0.00 O ATOM 1182 CB THR A 81 11.092 1.198 -0.312 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.202 1.682 1.018 1.00 0.00 O ATOM 1184 CG2 THR A 81 9.698 0.565 -0.461 1.00 0.00 C ATOM 0 H THR A 81 12.280 -0.306 1.384 1.00 0.00 H new ATOM 0 HA THR A 81 11.768 -0.442 -1.460 1.00 0.00 H new ATOM 0 HB THR A 81 11.249 2.028 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.522 2.370 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.934 1.314 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.574 0.194 -1.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.597 -0.262 0.242 1.00 0.00 H new ATOM 1192 N GLY A 82 13.869 1.726 -0.099 1.00 0.00 N ATOM 1193 CA GLY A 82 15.133 2.388 -0.189 1.00 0.00 C ATOM 1194 C GLY A 82 14.956 3.844 -0.449 1.00 0.00 C ATOM 1195 O GLY A 82 14.175 4.519 0.219 1.00 0.00 O ATOM 0 H GLY A 82 13.318 2.044 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.689 2.245 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.725 1.942 -0.988 1.00 0.00 H new ATOM 1199 N GLN A 83 15.678 4.398 -1.441 1.00 0.00 N ATOM 1200 CA GLN A 83 15.675 5.791 -1.765 1.00 0.00 C ATOM 1201 C GLN A 83 14.461 6.224 -2.514 1.00 0.00 C ATOM 1202 O GLN A 83 13.883 7.272 -2.231 1.00 0.00 O ATOM 1203 CB GLN A 83 16.929 6.129 -2.587 1.00 0.00 C ATOM 1204 CG GLN A 83 17.124 7.608 -2.926 1.00 0.00 C ATOM 1205 CD GLN A 83 17.317 8.449 -1.671 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.359 8.395 -1.020 1.00 0.00 O ATOM 1207 NE2 GLN A 83 16.290 9.264 -1.310 1.00 0.00 N ATOM 0 H GLN A 83 16.291 3.849 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 83 15.671 6.332 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.805 5.783 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.893 5.564 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 83 17.990 7.722 -3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.259 7.972 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 83 15.437 9.288 -1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 83 16.372 9.851 -0.480 1.00 0.00 H new ATOM 1216 N VAL A 84 14.042 5.436 -3.519 1.00 0.00 N ATOM 1217 CA VAL A 84 13.067 5.830 -4.489 1.00 0.00 C ATOM 1218 C VAL A 84 11.786 5.096 -4.289 1.00 0.00 C ATOM 1219 O VAL A 84 11.721 4.121 -3.541 1.00 0.00 O ATOM 1220 CB VAL A 84 13.640 5.713 -5.869 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.623 4.268 -6.399 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.958 6.670 -6.861 1.00 0.00 C ATOM 0 H VAL A 84 14.395 4.490 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 84 12.813 6.881 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 84 14.685 6.011 -5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.050 4.243 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.212 3.631 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.596 3.905 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.405 6.551 -7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.894 6.441 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.091 7.698 -6.524 1.00 0.00 H new ATOM 1232 N VAL A 85 10.686 5.572 -4.900 1.00 0.00 N ATOM 1233 CA VAL A 85 9.374 5.013 -4.790 1.00 0.00 C ATOM 1234 C VAL A 85 8.760 4.922 -6.145 1.00 0.00 C ATOM 1235 O VAL A 85 8.702 5.913 -6.872 1.00 0.00 O ATOM 1236 CB VAL A 85 8.505 5.871 -3.919 1.00 0.00 C ATOM 1237 CG1 VAL A 85 7.024 5.457 -3.955 1.00 0.00 C ATOM 1238 CG2 VAL A 85 9.031 5.831 -2.475 1.00 0.00 C ATOM 0 H VAL A 85 10.714 6.393 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 85 9.455 4.022 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 85 8.553 6.887 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.446 6.115 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.649 5.535 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.925 4.428 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.401 6.454 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.012 4.804 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.054 6.206 -2.450 1.00 0.00 H new ATOM 1248 N HIS A 86 8.256 3.737 -6.534 1.00 0.00 N ATOM 1249 CA HIS A 86 7.490 3.576 -7.730 1.00 0.00 C ATOM 1250 C HIS A 86 6.397 2.594 -7.480 1.00 0.00 C ATOM 1251 O HIS A 86 6.658 1.417 -7.237 1.00 0.00 O ATOM 1252 CB HIS A 86 8.334 3.003 -8.881 1.00 0.00 C ATOM 1253 CG HIS A 86 9.392 3.913 -9.432 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.640 4.007 -8.851 1.00 0.00 N ATOM 1255 CD2 HIS A 86 9.310 4.720 -10.524 1.00 0.00 C ATOM 1256 CE1 HIS A 86 11.289 4.898 -9.578 1.00 0.00 C ATOM 1257 NE2 HIS A 86 10.533 5.353 -10.613 1.00 0.00 N ATOM 0 H HIS A 86 8.383 2.873 -6.007 1.00 0.00 H new ATOM 0 HA HIS A 86 7.113 4.561 -8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.814 2.088 -8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.663 2.723 -9.693 1.00 0.00 H new ATOM 0 HD2 HIS A 86 8.464 4.840 -11.184 1.00 0.00 H new ATOM 0 HE1 HIS A 86 12.298 5.226 -9.375 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.816 6.032 -11.320 1.00 0.00 H new ATOM 1265 N LEU A 87 5.119 3.004 -7.547 1.00 0.00 N ATOM 1266 CA LEU A 87 4.038 2.074 -7.441 1.00 0.00 C ATOM 1267 C LEU A 87 2.849 2.508 -8.226 1.00 0.00 C ATOM 1268 O LEU A 87 2.714 3.672 -8.600 1.00 0.00 O ATOM 1269 CB LEU A 87 3.643 1.721 -5.997 1.00 0.00 C ATOM 1270 CG LEU A 87 2.889 2.786 -5.183 1.00 0.00 C ATOM 1271 CD1 LEU A 87 2.265 2.140 -3.933 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.777 3.967 -4.756 1.00 0.00 C ATOM 0 H LEU A 87 4.834 3.975 -7.674 1.00 0.00 H new ATOM 0 HA LEU A 87 4.425 1.153 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.026 0.823 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.552 1.465 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 87 2.116 3.188 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.732 2.898 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.569 1.358 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.052 1.705 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.183 4.681 -4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.597 3.601 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.182 4.457 -5.642 1.00 0.00 H new ATOM 1284 N LEU A 88 1.929 1.566 -8.499 1.00 0.00 N ATOM 1285 CA LEU A 88 0.774 1.794 -9.311 1.00 0.00 C ATOM 1286 C LEU A 88 -0.448 1.508 -8.507 1.00 0.00 C ATOM 1287 O LEU A 88 -0.635 0.422 -7.959 1.00 0.00 O ATOM 1288 CB LEU A 88 0.712 0.899 -10.560 1.00 0.00 C ATOM 1289 CG LEU A 88 1.757 1.190 -11.650 1.00 0.00 C ATOM 1290 CD1 LEU A 88 3.122 0.531 -11.384 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.234 0.717 -13.016 1.00 0.00 C ATOM 0 H LEU A 88 1.991 0.612 -8.142 1.00 0.00 H new ATOM 0 HA LEU A 88 0.832 2.832 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.824 -0.139 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.280 0.993 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 88 1.912 2.269 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.809 0.779 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.525 0.898 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.000 -0.551 -11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.979 0.926 -13.783 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.041 -0.355 -12.980 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.310 1.244 -13.254 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.351 2.501 -8.420 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.517 2.466 -7.593 1.00 0.00 C ATOM 1305 C LEU A 89 -3.727 2.548 -8.459 1.00 0.00 C ATOM 1306 O LEU A 89 -3.649 2.884 -9.640 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.569 3.675 -6.645 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.361 3.846 -5.708 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.248 4.701 -6.337 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.818 4.517 -4.402 1.00 0.00 C ATOM 0 H LEU A 89 -1.264 3.368 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.485 1.543 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.669 4.579 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.469 3.596 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.956 2.852 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.582 4.791 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.102 4.226 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.637 5.692 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.963 4.639 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.246 5.494 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.569 3.894 -3.917 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.910 2.243 -7.897 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.166 2.610 -8.473 1.00 0.00 C ATOM 1324 C GLU A 90 -6.812 3.523 -7.488 1.00 0.00 C ATOM 1325 O GLU A 90 -6.830 3.252 -6.289 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.043 1.388 -8.797 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.101 1.695 -9.859 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.027 0.515 -10.120 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -9.894 0.230 -9.251 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -8.914 -0.143 -11.189 1.00 0.00 O ATOM 0 H GLU A 90 -4.996 1.729 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.025 3.104 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.410 0.571 -9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.535 1.045 -7.887 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.693 2.553 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.607 1.977 -10.789 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.324 4.680 -7.943 1.00 0.00 N ATOM 1338 CA LYS A 91 -7.860 5.684 -7.076 1.00 0.00 C ATOM 1339 C LYS A 91 -9.183 5.269 -6.530 1.00 0.00 C ATOM 1340 O LYS A 91 -10.084 4.854 -7.257 1.00 0.00 O ATOM 1341 CB LYS A 91 -7.900 7.043 -7.795 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.136 8.252 -6.887 1.00 0.00 C ATOM 1343 CD LYS A 91 -7.787 9.572 -7.576 1.00 0.00 C ATOM 1344 CE LYS A 91 -6.288 9.871 -7.606 1.00 0.00 C ATOM 1345 NZ LYS A 91 -5.971 10.936 -8.583 1.00 0.00 N ATOM 0 H LYS A 91 -7.367 4.924 -8.933 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.203 5.802 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.958 7.184 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.687 7.015 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.181 8.272 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.536 8.147 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.165 9.549 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.301 10.386 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.956 10.175 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.739 8.965 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.947 11.116 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.267 10.635 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.476 11.807 -8.323 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.308 5.261 -5.190 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.389 4.627 -4.501 1.00 0.00 C ATOM 1361 C GLY A 92 -11.621 5.454 -4.363 1.00 0.00 C ATOM 1362 O GLY A 92 -12.637 5.227 -5.019 1.00 0.00 O ATOM 0 H GLY A 92 -8.636 5.710 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.645 3.707 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.048 4.342 -3.506 1.00 0.00 H new ATOM 1560 N GLN B 11 -2.310 -9.621 10.201 1.00 0.00 N ATOM 1561 CA GLN B 11 -2.727 -8.687 11.201 1.00 0.00 C ATOM 1562 C GLN B 11 -2.972 -7.324 10.651 1.00 0.00 C ATOM 1563 O GLN B 11 -3.798 -7.171 9.752 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.804 -8.716 12.432 1.00 0.00 C ATOM 1565 CG GLN B 11 -2.518 -8.383 13.743 1.00 0.00 C ATOM 1566 CD GLN B 11 -1.676 -8.827 14.931 1.00 0.00 C ATOM 1567 OE1 GLN B 11 -0.614 -8.269 15.202 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -2.138 -9.876 15.663 1.00 0.00 N ATOM 0 HA GLN B 11 -3.703 -9.013 11.561 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.354 -9.705 12.515 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -0.990 -8.007 12.282 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -2.704 -7.311 13.801 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -3.489 -8.877 13.772 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -3.022 -10.320 15.416 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.600 -10.218 16.459 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.301 -6.272 11.153 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.467 -4.890 10.823 1.00 0.00 C ATOM 1579 C VAL B 12 -1.136 -4.384 10.385 1.00 0.00 C ATOM 1580 O VAL B 12 -0.119 -5.017 10.664 1.00 0.00 O ATOM 1581 CB VAL B 12 -2.988 -4.113 11.996 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.353 -2.665 11.629 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.259 -4.783 12.542 1.00 0.00 C ATOM 0 H VAL B 12 -1.574 -6.404 11.856 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.201 -4.770 10.026 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.189 -4.099 12.737 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.724 -2.148 12.514 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.468 -2.151 11.253 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.125 -2.668 10.860 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.633 -4.215 13.394 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.020 -4.810 11.762 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.027 -5.800 12.858 1.00 0.00 H new ATOM 1593 N SER B 13 -1.036 -3.263 9.649 1.00 0.00 N ATOM 1594 CA SER B 13 0.204 -2.794 9.112 1.00 0.00 C ATOM 1595 C SER B 13 0.296 -1.314 8.962 1.00 0.00 C ATOM 1596 O SER B 13 -0.705 -0.618 8.802 1.00 0.00 O ATOM 1597 CB SER B 13 0.468 -3.380 7.716 1.00 0.00 C ATOM 1598 OG SER B 13 -0.631 -3.181 6.838 1.00 0.00 O ATOM 0 H SER B 13 -1.834 -2.669 9.422 1.00 0.00 H new ATOM 0 HA SER B 13 0.939 -3.123 9.847 1.00 0.00 H new ATOM 0 HB2 SER B 13 1.359 -2.918 7.292 1.00 0.00 H new ATOM 0 HB3 SER B 13 0.673 -4.447 7.804 1.00 0.00 H new ATOM 0 HG SER B 13 -0.328 -3.265 5.910 1.00 0.00 H new ATOM 1604 N ALA B 14 1.535 -0.788 8.978 1.00 0.00 N ATOM 1605 CA ALA B 14 1.838 0.570 8.649 1.00 0.00 C ATOM 1606 C ALA B 14 3.234 0.726 8.152 1.00 0.00 C ATOM 1607 O ALA B 14 4.075 -0.158 8.303 1.00 0.00 O ATOM 1608 CB ALA B 14 1.600 1.494 9.856 1.00 0.00 C ATOM 0 H ALA B 14 2.359 -1.333 9.231 1.00 0.00 H new ATOM 0 HA ALA B 14 1.163 0.859 7.843 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.838 2.521 9.580 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.555 1.432 10.161 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.238 1.184 10.683 1.00 0.00 H new ATOM 1614 N VAL B 15 3.529 1.875 7.516 1.00 0.00 N ATOM 1615 CA VAL B 15 4.820 2.251 7.031 1.00 0.00 C ATOM 1616 C VAL B 15 4.897 3.770 6.954 1.00 0.00 C ATOM 1617 O VAL B 15 3.825 4.431 6.918 1.00 0.00 O ATOM 1618 CB VAL B 15 5.159 1.569 5.738 1.00 0.00 C ATOM 1619 CG1 VAL B 15 4.043 1.764 4.697 1.00 0.00 C ATOM 1620 CG2 VAL B 15 6.536 1.983 5.193 1.00 0.00 C ATOM 1621 OXT VAL B 15 6.014 4.351 7.007 1.00 0.00 O ATOM 0 H VAL B 15 2.820 2.585 7.330 1.00 0.00 H new ATOM 0 HA VAL B 15 5.584 1.910 7.729 1.00 0.00 H new ATOM 0 HB VAL B 15 5.229 0.502 5.950 1.00 0.00 H new ATOM 0 HG11 VAL B 15 4.317 1.259 3.771 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.112 1.343 5.078 1.00 0.00 H new ATOM 0 HG13 VAL B 15 3.908 2.828 4.504 1.00 0.00 H new ATOM 0 HG21 VAL B 15 6.729 1.459 4.257 1.00 0.00 H new ATOM 0 HG22 VAL B 15 6.549 3.059 5.017 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.307 1.725 5.919 1.00 0.00 H new