USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 709 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 55 GLN : amide:sc= -4.23! C(o=-15!,f=-20!) USER MOD Set 1.2: A 58 GLN : amide:sc= -10.8! C(o=-15!,f=-19!) USER MOD Single : A 1 LYS N :NH3+ -151:sc= 0.285 (180deg=-0.017) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -155:sc= -0.101 (180deg=-0.253) USER MOD Single : A 6 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6.9!) USER MOD Single : A 9 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.1!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.169 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -16.6! C(o=-17!,f=-20!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 19 THR OG1 : rot -158:sc= -0.556 USER MOD Single : A 21 LYS NZ :NH3+ -143:sc= -0.437 (180deg=-1.81!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -169:sc= -7.54! USER MOD Single : A 33 ASN :FLIP amide:sc= 0.00716 F(o=-0.83!,f=0.0072) USER MOD Single : A 42 THR OG1 : rot -49:sc= 0.257 USER MOD Single : A 47 TYR OH : rot -121:sc= -6.85! USER MOD Single : A 59 SER OG : rot -120:sc= -0.546 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 63 THR OG1 : rot -160:sc= -0.0086 USER MOD Single : A 65 ASN : amide:sc= -3.72! C(o=-3.7!,f=-5.9!) USER MOD Single : A 69 SER OG : rot -123:sc= 0.86 USER MOD Single : A 72 GLN : amide:sc= -0.0622 X(o=-0.062,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00248) USER MOD Single : A 85 THR OG1 : rot 70:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.522 4.014 8.532 1.00 0.00 N ATOM 2 CA LYS A 1 -7.340 3.615 9.348 1.00 0.00 C ATOM 3 C LYS A 1 -6.119 4.427 8.909 1.00 0.00 C ATOM 4 O LYS A 1 -6.221 5.343 8.116 1.00 0.00 O ATOM 5 CB LYS A 1 -7.059 2.124 9.145 1.00 0.00 C ATOM 6 CG LYS A 1 -7.025 1.421 10.503 1.00 0.00 C ATOM 7 CD LYS A 1 -5.970 0.312 10.477 1.00 0.00 C ATOM 8 CE LYS A 1 -6.088 -0.536 11.745 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.396 0.154 12.871 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.390 3.878 9.089 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.436 5.015 8.263 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.566 3.428 7.674 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.545 3.807 10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.829 1.681 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.108 1.989 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.794 2.139 11.290 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.004 1.001 10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.106 -0.313 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.973 0.746 10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.138 -0.695 11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.646 -1.519 11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.476 -0.422 13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.392 0.284 12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.837 1.082 13.033 1.00 0.00 H new ATOM 25 N LYS A 2 -4.964 4.100 9.417 1.00 0.00 N ATOM 26 CA LYS A 2 -3.745 4.859 9.024 1.00 0.00 C ATOM 27 C LYS A 2 -2.649 3.879 8.594 1.00 0.00 C ATOM 28 O LYS A 2 -2.008 3.249 9.411 1.00 0.00 O ATOM 29 CB LYS A 2 -3.262 5.697 10.215 1.00 0.00 C ATOM 30 CG LYS A 2 -1.798 6.103 10.015 1.00 0.00 C ATOM 31 CD LYS A 2 -1.625 7.583 10.360 1.00 0.00 C ATOM 32 CE LYS A 2 -0.265 8.069 9.854 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.166 9.545 10.029 1.00 0.00 N ATOM 0 H LYS A 2 -4.812 3.344 10.084 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.977 5.521 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.883 6.587 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.366 5.126 11.137 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.151 5.494 10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.498 5.922 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.424 8.169 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.697 7.727 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.537 7.573 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.142 7.808 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.514 9.931 9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.099 9.977 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.157 9.759 10.994 1.00 0.00 H new ATOM 47 N ALA A 3 -2.423 3.762 7.315 1.00 0.00 N ATOM 48 CA ALA A 3 -1.362 2.843 6.823 1.00 0.00 C ATOM 49 C ALA A 3 -0.080 3.647 6.605 1.00 0.00 C ATOM 50 O ALA A 3 -0.114 4.773 6.146 1.00 0.00 O ATOM 51 CB ALA A 3 -1.803 2.209 5.502 1.00 0.00 C ATOM 0 H ALA A 3 -2.930 4.266 6.588 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.186 2.054 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.024 1.536 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.724 1.648 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.975 2.991 4.763 1.00 0.00 H new ATOM 57 N VAL A 4 1.050 3.091 6.935 1.00 0.00 N ATOM 58 CA VAL A 4 2.315 3.847 6.747 1.00 0.00 C ATOM 59 C VAL A 4 3.363 2.957 6.084 1.00 0.00 C ATOM 60 O VAL A 4 3.597 1.836 6.490 1.00 0.00 O ATOM 61 CB VAL A 4 2.832 4.322 8.105 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.169 5.043 7.920 1.00 0.00 C ATOM 63 CG2 VAL A 4 1.818 5.285 8.726 1.00 0.00 C ATOM 0 H VAL A 4 1.152 2.153 7.324 1.00 0.00 H new ATOM 0 HA VAL A 4 2.124 4.708 6.107 1.00 0.00 H new ATOM 0 HB VAL A 4 2.970 3.463 8.761 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.537 5.381 8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.892 4.360 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.031 5.902 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.185 5.625 9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.681 6.143 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.864 4.774 8.858 1.00 0.00 H new ATOM 73 N ILE A 5 3.994 3.462 5.065 1.00 0.00 N ATOM 74 CA ILE A 5 5.033 2.675 4.355 1.00 0.00 C ATOM 75 C ILE A 5 6.402 3.103 4.870 1.00 0.00 C ATOM 76 O ILE A 5 6.745 4.267 4.857 1.00 0.00 O ATOM 77 CB ILE A 5 4.929 2.954 2.855 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.438 2.950 2.446 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.724 1.894 2.081 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.004 1.572 1.937 1.00 0.00 C ATOM 0 H ILE A 5 3.832 4.397 4.690 1.00 0.00 H new ATOM 0 HA ILE A 5 4.893 1.609 4.532 1.00 0.00 H new ATOM 0 HB ILE A 5 5.351 3.931 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.824 3.235 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.270 3.696 1.670 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.650 2.093 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.770 1.930 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.317 0.906 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.951 1.602 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.602 1.300 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.149 0.831 2.723 1.00 0.00 H new ATOM 92 N ASN A 6 7.186 2.176 5.333 1.00 0.00 N ATOM 93 CA ASN A 6 8.523 2.542 5.856 1.00 0.00 C ATOM 94 C ASN A 6 9.588 1.968 4.932 1.00 0.00 C ATOM 95 O ASN A 6 9.870 0.790 4.953 1.00 0.00 O ATOM 96 CB ASN A 6 8.707 1.968 7.267 1.00 0.00 C ATOM 97 CG ASN A 6 7.362 1.893 7.994 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.372 1.451 7.444 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.293 2.296 9.228 1.00 0.00 N ATOM 0 H ASN A 6 6.958 1.182 5.371 1.00 0.00 H new ATOM 0 HA ASN A 6 8.613 3.627 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 6 9.151 0.974 7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.399 2.592 7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.409 2.241 9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.123 2.667 9.691 1.00 0.00 H new ATOM 106 N GLY A 7 10.184 2.786 4.117 1.00 0.00 N ATOM 107 CA GLY A 7 11.228 2.274 3.198 1.00 0.00 C ATOM 108 C GLY A 7 12.515 2.036 3.989 1.00 0.00 C ATOM 109 O GLY A 7 13.510 1.587 3.454 1.00 0.00 O ATOM 0 H GLY A 7 9.993 3.786 4.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.896 1.347 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.406 2.989 2.395 1.00 0.00 H new ATOM 113 N GLU A 8 12.501 2.330 5.262 1.00 0.00 N ATOM 114 CA GLU A 8 13.723 2.120 6.085 1.00 0.00 C ATOM 115 C GLU A 8 13.596 0.813 6.867 1.00 0.00 C ATOM 116 O GLU A 8 14.557 0.304 7.409 1.00 0.00 O ATOM 117 CB GLU A 8 13.906 3.283 7.056 1.00 0.00 C ATOM 118 CG GLU A 8 12.539 3.758 7.512 1.00 0.00 C ATOM 119 CD GLU A 8 12.640 4.364 8.913 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.576 4.027 9.618 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.777 5.155 9.257 1.00 0.00 O ATOM 0 H GLU A 8 11.697 2.706 5.765 1.00 0.00 H new ATOM 0 HA GLU A 8 14.590 2.067 5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.502 2.969 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.447 4.097 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.150 4.498 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.837 2.924 7.517 1.00 0.00 H new ATOM 128 N GLN A 9 12.416 0.267 6.924 1.00 0.00 N ATOM 129 CA GLN A 9 12.215 -1.010 7.663 1.00 0.00 C ATOM 130 C GLN A 9 11.796 -2.095 6.679 1.00 0.00 C ATOM 131 O GLN A 9 11.953 -3.274 6.925 1.00 0.00 O ATOM 132 CB GLN A 9 11.122 -0.825 8.717 1.00 0.00 C ATOM 133 CG GLN A 9 11.407 -1.732 9.915 1.00 0.00 C ATOM 134 CD GLN A 9 11.460 -3.188 9.450 1.00 0.00 C ATOM 135 OE1 GLN A 9 10.508 -3.696 8.892 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.543 -3.887 9.657 1.00 0.00 N ATOM 0 H GLN A 9 11.577 0.651 6.489 1.00 0.00 H new ATOM 0 HA GLN A 9 13.143 -1.299 8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.084 0.216 9.037 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.147 -1.064 8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.353 -1.453 10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.632 -1.608 10.671 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.343 -3.461 10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.589 -4.859 9.350 1.00 0.00 H new ATOM 145 N ILE A 10 11.281 -1.697 5.557 1.00 0.00 N ATOM 146 CA ILE A 10 10.864 -2.690 4.534 1.00 0.00 C ATOM 147 C ILE A 10 12.119 -3.255 3.874 1.00 0.00 C ATOM 148 O ILE A 10 12.716 -2.637 3.017 1.00 0.00 O ATOM 149 CB ILE A 10 9.987 -2.013 3.481 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.686 -1.525 4.133 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.665 -3.015 2.367 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.750 -2.706 4.390 1.00 0.00 C ATOM 0 H ILE A 10 11.129 -0.721 5.301 1.00 0.00 H new ATOM 0 HA ILE A 10 10.292 -3.491 5.002 1.00 0.00 H new ATOM 0 HB ILE A 10 10.517 -1.160 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.909 -1.017 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.196 -0.798 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.040 -2.534 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.592 -3.355 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.135 -3.869 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.830 -2.348 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.514 -3.195 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.237 -3.418 5.056 1.00 0.00 H new ATOM 164 N ARG A 11 12.524 -4.423 4.275 1.00 0.00 N ATOM 165 CA ARG A 11 13.751 -5.031 3.673 1.00 0.00 C ATOM 166 C ARG A 11 13.503 -5.255 2.189 1.00 0.00 C ATOM 167 O ARG A 11 14.329 -4.951 1.353 1.00 0.00 O ATOM 168 CB ARG A 11 14.069 -6.381 4.331 1.00 0.00 C ATOM 169 CG ARG A 11 13.423 -6.461 5.711 1.00 0.00 C ATOM 170 CD ARG A 11 14.032 -7.620 6.499 1.00 0.00 C ATOM 171 NE ARG A 11 12.968 -8.606 6.835 1.00 0.00 N ATOM 172 CZ ARG A 11 13.175 -9.499 7.764 1.00 0.00 C ATOM 173 NH1 ARG A 11 13.051 -9.174 9.021 1.00 0.00 N ATOM 174 NH2 ARG A 11 13.507 -10.718 7.433 1.00 0.00 N ATOM 0 H ARG A 11 12.065 -4.986 4.991 1.00 0.00 H new ATOM 0 HA ARG A 11 14.594 -4.358 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.705 -7.194 3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.148 -6.505 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.573 -5.525 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.347 -6.602 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.815 -8.100 5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.499 -7.248 7.411 1.00 0.00 H new ATOM 0 HE ARG A 11 12.077 -8.584 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.792 -8.222 9.278 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.213 -9.872 9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.604 -10.971 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.669 -11.417 8.158 1.00 0.00 H new ATOM 188 N SER A 12 12.364 -5.789 1.859 1.00 0.00 N ATOM 189 CA SER A 12 12.054 -6.039 0.426 1.00 0.00 C ATOM 190 C SER A 12 10.561 -5.831 0.172 1.00 0.00 C ATOM 191 O SER A 12 9.764 -5.774 1.085 1.00 0.00 O ATOM 192 CB SER A 12 12.435 -7.476 0.066 1.00 0.00 C ATOM 193 OG SER A 12 11.286 -8.308 0.170 1.00 0.00 O ATOM 0 H SER A 12 11.635 -6.063 2.517 1.00 0.00 H new ATOM 0 HA SER A 12 12.623 -5.343 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.836 -7.515 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.219 -7.834 0.733 1.00 0.00 H new ATOM 0 HG SER A 12 11.527 -9.229 -0.062 1.00 0.00 H new ATOM 199 N ILE A 13 10.181 -5.724 -1.070 1.00 0.00 N ATOM 200 CA ILE A 13 8.744 -5.527 -1.407 1.00 0.00 C ATOM 201 C ILE A 13 7.891 -6.467 -0.550 1.00 0.00 C ATOM 202 O ILE A 13 6.794 -6.139 -0.152 1.00 0.00 O ATOM 203 CB ILE A 13 8.552 -5.842 -2.892 1.00 0.00 C ATOM 204 CG1 ILE A 13 7.104 -5.545 -3.325 1.00 0.00 C ATOM 205 CG2 ILE A 13 8.893 -7.310 -3.146 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.179 -6.712 -2.974 1.00 0.00 C ATOM 0 H ILE A 13 10.809 -5.765 -1.872 1.00 0.00 H new ATOM 0 HA ILE A 13 8.439 -4.500 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 13 9.217 -5.210 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.753 -4.637 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.072 -5.360 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.757 -7.537 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.929 -7.497 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.236 -7.944 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.162 -6.478 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.520 -7.613 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.195 -6.878 -1.897 1.00 0.00 H new ATOM 218 N SER A 14 8.391 -7.633 -0.253 1.00 0.00 N ATOM 219 CA SER A 14 7.608 -8.588 0.581 1.00 0.00 C ATOM 220 C SER A 14 7.117 -7.892 1.855 1.00 0.00 C ATOM 221 O SER A 14 5.948 -7.931 2.182 1.00 0.00 O ATOM 222 CB SER A 14 8.495 -9.774 0.960 1.00 0.00 C ATOM 223 OG SER A 14 7.723 -10.967 0.924 1.00 0.00 O ATOM 0 H SER A 14 9.308 -7.967 -0.551 1.00 0.00 H new ATOM 0 HA SER A 14 6.747 -8.938 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.335 -9.850 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.913 -9.627 1.956 1.00 0.00 H new ATOM 0 HG SER A 14 8.289 -11.730 1.165 1.00 0.00 H new ATOM 229 N ASP A 15 8.001 -7.263 2.584 1.00 0.00 N ATOM 230 CA ASP A 15 7.591 -6.579 3.841 1.00 0.00 C ATOM 231 C ASP A 15 6.657 -5.410 3.525 1.00 0.00 C ATOM 232 O ASP A 15 5.892 -4.964 4.360 1.00 0.00 O ATOM 233 CB ASP A 15 8.844 -6.072 4.552 1.00 0.00 C ATOM 234 CG ASP A 15 9.144 -6.963 5.758 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.447 -6.838 6.750 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.067 -7.756 5.667 1.00 0.00 O ATOM 0 H ASP A 15 8.994 -7.195 2.360 1.00 0.00 H new ATOM 0 HA ASP A 15 7.058 -7.279 4.484 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.691 -6.075 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.699 -5.041 4.875 1.00 0.00 H new ATOM 241 N LEU A 16 6.704 -4.924 2.323 1.00 0.00 N ATOM 242 CA LEU A 16 5.815 -3.793 1.935 1.00 0.00 C ATOM 243 C LEU A 16 4.369 -4.262 2.022 1.00 0.00 C ATOM 244 O LEU A 16 3.560 -3.714 2.747 1.00 0.00 O ATOM 245 CB LEU A 16 6.127 -3.383 0.488 1.00 0.00 C ATOM 246 CG LEU A 16 5.214 -2.236 -0.004 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.387 -1.610 1.128 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.088 -1.149 -0.616 1.00 0.00 C ATOM 0 H LEU A 16 7.322 -5.261 1.585 1.00 0.00 H new ATOM 0 HA LEU A 16 5.974 -2.943 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.169 -3.071 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.007 -4.246 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 16 4.519 -2.658 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.765 -0.811 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.751 -2.372 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.057 -1.202 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.459 -0.332 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.782 -0.774 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.649 -1.562 -1.454 1.00 0.00 H new ATOM 260 N HIS A 17 4.046 -5.281 1.286 1.00 0.00 N ATOM 261 CA HIS A 17 2.659 -5.806 1.297 1.00 0.00 C ATOM 262 C HIS A 17 2.322 -6.318 2.692 1.00 0.00 C ATOM 263 O HIS A 17 1.172 -6.493 3.041 1.00 0.00 O ATOM 264 CB HIS A 17 2.545 -6.919 0.260 1.00 0.00 C ATOM 265 CG HIS A 17 2.820 -6.325 -1.096 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.886 -6.336 -2.116 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.916 -5.674 -1.602 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.436 -5.706 -3.175 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.670 -5.282 -2.910 1.00 0.00 N ATOM 0 H HIS A 17 4.690 -5.778 0.671 1.00 0.00 H new ATOM 0 HA HIS A 17 1.950 -5.017 1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.256 -7.716 0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.550 -7.363 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.834 -5.493 -1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.936 -5.563 -4.122 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.299 -4.777 -3.534 1.00 0.00 H new ATOM 277 N GLN A 18 3.316 -6.521 3.504 1.00 0.00 N ATOM 278 CA GLN A 18 3.056 -6.975 4.894 1.00 0.00 C ATOM 279 C GLN A 18 2.678 -5.744 5.710 1.00 0.00 C ATOM 280 O GLN A 18 1.891 -5.798 6.636 1.00 0.00 O ATOM 281 CB GLN A 18 4.313 -7.625 5.475 1.00 0.00 C ATOM 282 CG GLN A 18 4.563 -8.962 4.776 1.00 0.00 C ATOM 283 CD GLN A 18 5.665 -9.726 5.512 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.789 -9.786 5.054 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.388 -10.318 6.641 1.00 0.00 N ATOM 0 H GLN A 18 4.299 -6.392 3.265 1.00 0.00 H new ATOM 0 HA GLN A 18 2.254 -7.712 4.916 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.171 -6.966 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.193 -7.779 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.647 -9.552 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.853 -8.793 3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.445 -10.268 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.115 -10.831 7.139 1.00 0.00 H new ATOM 294 N THR A 19 3.236 -4.632 5.340 1.00 0.00 N ATOM 295 CA THR A 19 2.937 -3.352 6.041 1.00 0.00 C ATOM 296 C THR A 19 1.531 -2.901 5.656 1.00 0.00 C ATOM 297 O THR A 19 0.801 -2.342 6.451 1.00 0.00 O ATOM 298 CB THR A 19 3.976 -2.298 5.624 1.00 0.00 C ATOM 299 OG1 THR A 19 5.134 -2.438 6.434 1.00 0.00 O ATOM 300 CG2 THR A 19 3.408 -0.884 5.792 1.00 0.00 C ATOM 0 H THR A 19 3.898 -4.551 4.569 1.00 0.00 H new ATOM 0 HA THR A 19 2.986 -3.484 7.122 1.00 0.00 H new ATOM 0 HB THR A 19 4.230 -2.450 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.638 -1.597 6.432 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.158 -0.152 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.521 -0.772 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.140 -0.721 6.836 1.00 0.00 H new ATOM 308 N LEU A 20 1.140 -3.169 4.449 1.00 0.00 N ATOM 309 CA LEU A 20 -0.238 -2.789 4.009 1.00 0.00 C ATOM 310 C LEU A 20 -1.187 -3.853 4.529 1.00 0.00 C ATOM 311 O LEU A 20 -2.323 -3.596 4.861 1.00 0.00 O ATOM 312 CB LEU A 20 -0.344 -2.735 2.481 1.00 0.00 C ATOM 313 CG LEU A 20 0.989 -2.311 1.880 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.947 -2.476 0.362 1.00 0.00 C ATOM 315 CD2 LEU A 20 1.259 -0.849 2.230 1.00 0.00 C ATOM 0 H LEU A 20 1.709 -3.635 3.742 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.482 -1.800 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.632 -3.712 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.124 -2.033 2.187 1.00 0.00 H new ATOM 0 HG LEU A 20 1.785 -2.936 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.903 -2.171 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.756 -3.520 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.152 -1.854 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.213 -0.542 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.462 -0.225 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.295 -0.735 3.313 1.00 0.00 H new ATOM 327 N LYS A 21 -0.706 -5.055 4.608 1.00 0.00 N ATOM 328 CA LYS A 21 -1.548 -6.164 5.122 1.00 0.00 C ATOM 329 C LYS A 21 -1.661 -6.019 6.638 1.00 0.00 C ATOM 330 O LYS A 21 -2.580 -6.515 7.259 1.00 0.00 O ATOM 331 CB LYS A 21 -0.890 -7.500 4.779 1.00 0.00 C ATOM 332 CG LYS A 21 -1.621 -8.629 5.506 1.00 0.00 C ATOM 333 CD LYS A 21 -1.849 -9.792 4.539 1.00 0.00 C ATOM 334 CE LYS A 21 -1.947 -11.100 5.327 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.723 -11.271 6.161 1.00 0.00 N ATOM 0 H LYS A 21 0.241 -5.320 4.337 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.539 -6.130 4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.920 -7.667 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.160 -7.486 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.036 -8.963 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.575 -8.270 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.763 -9.630 3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.030 -9.848 3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.833 -11.089 5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.054 -11.942 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.456 -12.276 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.056 -10.715 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.913 -10.941 7.129 1.00 0.00 H new ATOM 349 N LYS A 22 -0.725 -5.332 7.236 1.00 0.00 N ATOM 350 CA LYS A 22 -0.759 -5.138 8.711 1.00 0.00 C ATOM 351 C LYS A 22 -1.636 -3.923 9.048 1.00 0.00 C ATOM 352 O LYS A 22 -2.433 -3.958 9.964 1.00 0.00 O ATOM 353 CB LYS A 22 0.674 -4.912 9.216 1.00 0.00 C ATOM 354 CG LYS A 22 0.656 -4.165 10.553 1.00 0.00 C ATOM 355 CD LYS A 22 2.071 -4.129 11.136 1.00 0.00 C ATOM 356 CE LYS A 22 2.261 -2.840 11.939 1.00 0.00 C ATOM 357 NZ LYS A 22 3.715 -2.521 12.029 1.00 0.00 N ATOM 0 H LYS A 22 0.065 -4.895 6.762 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.179 -6.020 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.180 -5.870 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.240 -4.341 8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.284 -3.150 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.023 -4.658 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.234 -4.996 11.776 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.807 -4.182 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.726 -2.019 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.840 -2.956 12.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.845 -1.645 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.213 -3.301 12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.102 -2.394 11.072 1.00 0.00 H new ATOM 371 N GLU A 23 -1.494 -2.848 8.318 1.00 0.00 N ATOM 372 CA GLU A 23 -2.319 -1.638 8.606 1.00 0.00 C ATOM 373 C GLU A 23 -3.730 -1.842 8.070 1.00 0.00 C ATOM 374 O GLU A 23 -4.711 -1.651 8.761 1.00 0.00 O ATOM 375 CB GLU A 23 -1.688 -0.418 7.934 1.00 0.00 C ATOM 376 CG GLU A 23 -0.228 -0.289 8.374 1.00 0.00 C ATOM 377 CD GLU A 23 -0.173 0.098 9.853 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.227 0.319 10.426 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.922 0.168 10.386 1.00 0.00 O ATOM 0 H GLU A 23 -0.844 -2.756 7.537 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.362 -1.477 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.744 -0.517 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.240 0.483 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.296 -1.231 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.279 0.464 7.771 1.00 0.00 H new ATOM 386 N LEU A 24 -3.828 -2.234 6.843 1.00 0.00 N ATOM 387 CA LEU A 24 -5.160 -2.469 6.225 1.00 0.00 C ATOM 388 C LEU A 24 -5.785 -3.717 6.848 1.00 0.00 C ATOM 389 O LEU A 24 -6.986 -3.902 6.827 1.00 0.00 O ATOM 390 CB LEU A 24 -4.994 -2.680 4.718 1.00 0.00 C ATOM 391 CG LEU A 24 -4.040 -1.625 4.150 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.500 -2.097 2.802 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.793 -0.308 3.974 1.00 0.00 C ATOM 0 H LEU A 24 -3.033 -2.406 6.227 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.804 -1.607 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.605 -3.679 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.963 -2.612 4.223 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.206 -1.477 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.821 -1.346 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.964 -3.037 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.329 -2.246 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.118 0.446 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.626 -0.454 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.173 0.026 4.940 1.00 0.00 H new ATOM 405 N ALA A 25 -4.976 -4.574 7.406 1.00 0.00 N ATOM 406 CA ALA A 25 -5.518 -5.811 8.033 1.00 0.00 C ATOM 407 C ALA A 25 -6.081 -6.727 6.947 1.00 0.00 C ATOM 408 O ALA A 25 -7.185 -7.222 7.046 1.00 0.00 O ATOM 409 CB ALA A 25 -6.626 -5.431 9.014 1.00 0.00 C ATOM 0 H ALA A 25 -3.962 -4.471 7.455 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.724 -6.334 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.027 -6.333 9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.220 -4.777 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.422 -4.912 8.480 1.00 0.00 H new ATOM 415 N LEU A 26 -5.324 -6.954 5.911 1.00 0.00 N ATOM 416 CA LEU A 26 -5.803 -7.836 4.810 1.00 0.00 C ATOM 417 C LEU A 26 -5.797 -9.292 5.293 1.00 0.00 C ATOM 418 O LEU A 26 -5.237 -9.594 6.328 1.00 0.00 O ATOM 419 CB LEU A 26 -4.881 -7.660 3.598 1.00 0.00 C ATOM 420 CG LEU A 26 -4.678 -6.163 3.345 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.693 -5.959 2.197 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.020 -5.529 2.974 1.00 0.00 C ATOM 0 H LEU A 26 -4.390 -6.565 5.778 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.820 -7.570 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.922 -8.145 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.318 -8.135 2.720 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.282 -5.696 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.553 -4.892 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.736 -6.413 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.085 -6.426 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.881 -4.463 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.409 -6.003 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.727 -5.669 3.792 1.00 0.00 H new ATOM 434 N PRO A 27 -6.442 -10.148 4.540 1.00 0.00 N ATOM 435 CA PRO A 27 -6.551 -11.579 4.880 1.00 0.00 C ATOM 436 C PRO A 27 -5.245 -12.322 4.580 1.00 0.00 C ATOM 437 O PRO A 27 -4.238 -11.727 4.253 1.00 0.00 O ATOM 438 CB PRO A 27 -7.685 -12.077 3.981 1.00 0.00 C ATOM 439 CG PRO A 27 -7.772 -11.078 2.803 1.00 0.00 C ATOM 440 CD PRO A 27 -7.115 -9.775 3.280 1.00 0.00 C ATOM 0 HA PRO A 27 -6.745 -11.746 5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.482 -13.086 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.627 -12.117 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.260 -11.470 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.810 -10.906 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.404 -9.396 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.855 -8.991 3.441 1.00 0.00 H new ATOM 448 N GLU A 28 -5.260 -13.622 4.702 1.00 0.00 N ATOM 449 CA GLU A 28 -4.028 -14.419 4.442 1.00 0.00 C ATOM 450 C GLU A 28 -3.837 -14.624 2.937 1.00 0.00 C ATOM 451 O GLU A 28 -2.734 -14.559 2.431 1.00 0.00 O ATOM 452 CB GLU A 28 -4.158 -15.784 5.121 1.00 0.00 C ATOM 453 CG GLU A 28 -2.917 -16.625 4.820 1.00 0.00 C ATOM 454 CD GLU A 28 -3.279 -18.110 4.872 1.00 0.00 C ATOM 455 OE1 GLU A 28 -4.417 -18.432 4.572 1.00 0.00 O ATOM 456 OE2 GLU A 28 -2.415 -18.900 5.211 1.00 0.00 O ATOM 0 H GLU A 28 -6.078 -14.169 4.972 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.168 -13.882 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.272 -15.657 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.052 -16.296 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.523 -16.371 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.132 -16.406 5.544 1.00 0.00 H new ATOM 463 N TYR A 29 -4.894 -14.885 2.216 1.00 0.00 N ATOM 464 CA TYR A 29 -4.752 -15.108 0.750 1.00 0.00 C ATOM 465 C TYR A 29 -4.459 -13.786 0.037 1.00 0.00 C ATOM 466 O TYR A 29 -4.290 -13.754 -1.165 1.00 0.00 O ATOM 467 CB TYR A 29 -6.035 -15.722 0.189 1.00 0.00 C ATOM 468 CG TYR A 29 -7.237 -14.990 0.733 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.462 -13.653 0.383 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.134 -15.653 1.577 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.585 -12.981 0.880 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.257 -14.982 2.072 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.484 -13.645 1.724 1.00 0.00 C ATOM 474 OH TYR A 29 -10.591 -12.983 2.212 1.00 0.00 O ATOM 0 H TYR A 29 -5.845 -14.953 2.577 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.921 -15.793 0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.028 -15.668 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.090 -16.777 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.770 -13.141 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.959 -16.684 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.758 -11.949 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.949 -15.495 2.723 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.110 -13.589 2.781 1.00 0.00 H new ATOM 484 N TYR A 30 -4.390 -12.700 0.768 1.00 0.00 N ATOM 485 CA TYR A 30 -4.094 -11.380 0.136 1.00 0.00 C ATOM 486 C TYR A 30 -3.065 -11.569 -0.982 1.00 0.00 C ATOM 487 O TYR A 30 -1.914 -11.868 -0.738 1.00 0.00 O ATOM 488 CB TYR A 30 -3.527 -10.440 1.201 1.00 0.00 C ATOM 489 CG TYR A 30 -3.163 -9.119 0.575 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.877 -8.644 -0.531 1.00 0.00 C ATOM 491 CD2 TYR A 30 -2.114 -8.363 1.110 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.540 -7.412 -1.102 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.776 -7.133 0.539 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.490 -6.655 -0.567 1.00 0.00 C ATOM 495 OH TYR A 30 -2.157 -5.439 -1.127 1.00 0.00 O ATOM 0 H TYR A 30 -4.527 -12.673 1.778 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.006 -10.956 -0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.261 -10.288 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.648 -10.888 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.687 -9.228 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.565 -8.730 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.090 -7.044 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.964 -6.551 0.951 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.306 -5.129 -0.753 1.00 0.00 H new ATOM 505 N GLY A 31 -3.481 -11.412 -2.209 1.00 0.00 N ATOM 506 CA GLY A 31 -2.538 -11.601 -3.349 1.00 0.00 C ATOM 507 C GLY A 31 -1.376 -10.613 -3.241 1.00 0.00 C ATOM 508 O GLY A 31 -0.270 -10.907 -3.641 1.00 0.00 O ATOM 0 H GLY A 31 -4.434 -11.161 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.158 -12.622 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.063 -11.455 -4.293 1.00 0.00 H new ATOM 512 N GLU A 32 -1.626 -9.442 -2.713 1.00 0.00 N ATOM 513 CA GLU A 32 -0.549 -8.412 -2.577 1.00 0.00 C ATOM 514 C GLU A 32 -0.427 -7.622 -3.888 1.00 0.00 C ATOM 515 O GLU A 32 0.119 -6.539 -3.923 1.00 0.00 O ATOM 516 CB GLU A 32 0.794 -9.087 -2.210 1.00 0.00 C ATOM 517 CG GLU A 32 1.673 -9.290 -3.453 1.00 0.00 C ATOM 518 CD GLU A 32 2.503 -10.564 -3.286 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.415 -10.552 -2.476 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.213 -11.530 -3.973 1.00 0.00 O ATOM 0 H GLU A 32 -2.540 -9.152 -2.366 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.807 -7.720 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.325 -8.473 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.602 -10.050 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.050 -9.363 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.329 -8.431 -3.592 1.00 0.00 H new ATOM 527 N ASN A 33 -0.937 -8.147 -4.966 1.00 0.00 N ATOM 528 CA ASN A 33 -0.842 -7.409 -6.256 1.00 0.00 C ATOM 529 C ASN A 33 -1.864 -6.277 -6.268 1.00 0.00 C ATOM 530 O ASN A 33 -2.617 -6.100 -5.333 1.00 0.00 O ATOM 531 CB ASN A 33 -1.114 -8.349 -7.425 1.00 0.00 C ATOM 532 CG ASN A 33 -0.756 -9.787 -7.040 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.659 -10.543 -6.480 1.00 0.00 O flip ATOM 534 ND2 ASN A 33 0.357 -10.226 -7.253 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.412 -9.048 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 33 0.164 -7.001 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.164 -8.292 -7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.531 -8.041 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.063 -9.635 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.585 -11.186 -6.994 1.00 0.00 H new ATOM 541 N LEU A 34 -1.898 -5.507 -7.316 1.00 0.00 N ATOM 542 CA LEU A 34 -2.882 -4.387 -7.375 1.00 0.00 C ATOM 543 C LEU A 34 -4.291 -4.964 -7.521 1.00 0.00 C ATOM 544 O LEU A 34 -5.274 -4.259 -7.405 1.00 0.00 O ATOM 545 CB LEU A 34 -2.574 -3.468 -8.564 1.00 0.00 C ATOM 546 CG LEU A 34 -2.019 -4.286 -9.732 1.00 0.00 C ATOM 547 CD1 LEU A 34 -2.540 -3.713 -11.052 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.490 -4.217 -9.713 1.00 0.00 C ATOM 0 H LEU A 34 -1.292 -5.601 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.815 -3.803 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.479 -2.946 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.852 -2.707 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.341 -5.323 -9.638 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.144 -4.296 -11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.629 -3.758 -11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.218 -2.676 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.089 -4.798 -10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.171 -3.179 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.119 -4.624 -8.773 1.00 0.00 H new ATOM 560 N ASP A 35 -4.401 -6.243 -7.765 1.00 0.00 N ATOM 561 CA ASP A 35 -5.747 -6.858 -7.908 1.00 0.00 C ATOM 562 C ASP A 35 -6.335 -7.135 -6.526 1.00 0.00 C ATOM 563 O ASP A 35 -7.423 -6.706 -6.214 1.00 0.00 O ATOM 564 CB ASP A 35 -5.666 -8.177 -8.674 1.00 0.00 C ATOM 565 CG ASP A 35 -4.270 -8.793 -8.556 1.00 0.00 C ATOM 566 OD1 ASP A 35 -3.435 -8.482 -9.389 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.061 -9.564 -7.634 1.00 0.00 O ATOM 0 H ASP A 35 -3.616 -6.886 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.379 -6.162 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.409 -8.874 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.905 -8.008 -9.724 1.00 0.00 H new ATOM 572 N ALA A 36 -5.626 -7.858 -5.698 1.00 0.00 N ATOM 573 CA ALA A 36 -6.153 -8.162 -4.337 1.00 0.00 C ATOM 574 C ALA A 36 -6.088 -6.898 -3.490 1.00 0.00 C ATOM 575 O ALA A 36 -6.920 -6.650 -2.639 1.00 0.00 O ATOM 576 CB ALA A 36 -5.305 -9.260 -3.689 1.00 0.00 C ATOM 0 H ALA A 36 -4.707 -8.250 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.185 -8.506 -4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.693 -9.480 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.346 -10.161 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.272 -8.922 -3.609 1.00 0.00 H new ATOM 582 N LEU A 37 -5.105 -6.093 -3.736 1.00 0.00 N ATOM 583 CA LEU A 37 -4.958 -4.824 -2.977 1.00 0.00 C ATOM 584 C LEU A 37 -6.079 -3.877 -3.385 1.00 0.00 C ATOM 585 O LEU A 37 -6.833 -3.408 -2.573 1.00 0.00 O ATOM 586 CB LEU A 37 -3.619 -4.186 -3.311 1.00 0.00 C ATOM 587 CG LEU A 37 -3.494 -2.855 -2.573 1.00 0.00 C ATOM 588 CD1 LEU A 37 -2.310 -2.912 -1.608 1.00 0.00 C ATOM 589 CD2 LEU A 37 -3.272 -1.736 -3.591 1.00 0.00 C ATOM 0 H LEU A 37 -4.385 -6.259 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.007 -5.025 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.805 -4.852 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.537 -4.027 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.407 -2.662 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.223 -1.961 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.468 -3.713 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.394 -3.103 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.182 -0.783 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.358 -1.931 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.118 -1.696 -4.278 1.00 0.00 H new ATOM 601 N TRP A 38 -6.203 -3.610 -4.648 1.00 0.00 N ATOM 602 CA TRP A 38 -7.298 -2.718 -5.110 1.00 0.00 C ATOM 603 C TRP A 38 -8.604 -3.325 -4.634 1.00 0.00 C ATOM 604 O TRP A 38 -9.504 -2.645 -4.186 1.00 0.00 O ATOM 605 CB TRP A 38 -7.256 -2.675 -6.633 1.00 0.00 C ATOM 606 CG TRP A 38 -8.439 -1.960 -7.206 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.294 -2.522 -8.079 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.899 -0.582 -7.012 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.262 -1.600 -8.427 1.00 0.00 N ATOM 610 CE2 TRP A 38 -10.062 -0.388 -7.798 1.00 0.00 C ATOM 611 CE3 TRP A 38 -8.439 0.503 -6.241 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.737 0.834 -7.820 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -9.115 1.733 -6.265 1.00 0.00 C ATOM 614 CH2 TRP A 38 -10.261 1.898 -7.054 1.00 0.00 C ATOM 0 H TRP A 38 -5.594 -3.970 -5.383 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.197 -1.705 -4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.341 -2.179 -6.957 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.223 -3.692 -7.024 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.233 -3.535 -8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.030 -1.791 -9.070 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.559 0.388 -5.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.622 0.955 -8.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.749 2.558 -5.671 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.775 2.848 -7.069 1.00 0.00 H new ATOM 625 N ASP A 39 -8.691 -4.616 -4.709 1.00 0.00 N ATOM 626 CA ASP A 39 -9.920 -5.308 -4.243 1.00 0.00 C ATOM 627 C ASP A 39 -10.084 -5.063 -2.748 1.00 0.00 C ATOM 628 O ASP A 39 -11.182 -4.999 -2.231 1.00 0.00 O ATOM 629 CB ASP A 39 -9.803 -6.810 -4.499 1.00 0.00 C ATOM 630 CG ASP A 39 -10.645 -7.190 -5.718 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.637 -6.523 -5.959 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.284 -8.143 -6.390 1.00 0.00 O ATOM 0 H ASP A 39 -7.961 -5.228 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.783 -4.922 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.760 -7.080 -4.666 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.140 -7.366 -3.624 1.00 0.00 H new ATOM 637 N ALA A 40 -8.995 -4.919 -2.049 1.00 0.00 N ATOM 638 CA ALA A 40 -9.087 -4.669 -0.583 1.00 0.00 C ATOM 639 C ALA A 40 -9.383 -3.191 -0.345 1.00 0.00 C ATOM 640 O ALA A 40 -10.461 -2.831 0.084 1.00 0.00 O ATOM 641 CB ALA A 40 -7.774 -5.038 0.107 1.00 0.00 C ATOM 0 H ALA A 40 -8.048 -4.963 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.886 -5.284 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.860 -4.849 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.560 -6.094 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.965 -4.435 -0.304 1.00 0.00 H new ATOM 647 N LEU A 41 -8.427 -2.335 -0.617 1.00 0.00 N ATOM 648 CA LEU A 41 -8.634 -0.870 -0.415 1.00 0.00 C ATOM 649 C LEU A 41 -10.074 -0.506 -0.747 1.00 0.00 C ATOM 650 O LEU A 41 -10.844 -0.118 0.108 1.00 0.00 O ATOM 651 CB LEU A 41 -7.692 -0.076 -1.328 1.00 0.00 C ATOM 652 CG LEU A 41 -6.392 0.243 -0.585 1.00 0.00 C ATOM 653 CD1 LEU A 41 -5.232 0.266 -1.582 1.00 0.00 C ATOM 654 CD2 LEU A 41 -6.494 1.611 0.092 1.00 0.00 C ATOM 0 H LEU A 41 -7.506 -2.593 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.422 -0.624 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.475 -0.650 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.174 0.848 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.220 -0.522 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.305 0.493 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.147 -0.708 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.417 1.030 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.564 1.827 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.672 2.378 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.319 1.604 0.804 1.00 0.00 H new ATOM 666 N THR A 42 -10.438 -0.632 -1.981 1.00 0.00 N ATOM 667 CA THR A 42 -11.834 -0.296 -2.379 1.00 0.00 C ATOM 668 C THR A 42 -12.743 -1.505 -2.131 1.00 0.00 C ATOM 669 O THR A 42 -13.447 -1.955 -3.013 1.00 0.00 O ATOM 670 CB THR A 42 -11.872 0.088 -3.861 1.00 0.00 C ATOM 671 OG1 THR A 42 -13.184 0.514 -4.202 1.00 0.00 O ATOM 672 CG2 THR A 42 -11.486 -1.118 -4.714 1.00 0.00 C ATOM 0 H THR A 42 -9.834 -0.953 -2.738 1.00 0.00 H new ATOM 0 HA THR A 42 -12.186 0.547 -1.784 1.00 0.00 H new ATOM 0 HB THR A 42 -11.166 0.898 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.836 -0.140 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.514 -0.842 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.479 -1.443 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.189 -1.931 -4.533 1.00 0.00 H new ATOM 680 N GLY A 43 -12.739 -2.031 -0.932 1.00 0.00 N ATOM 681 CA GLY A 43 -13.608 -3.203 -0.627 1.00 0.00 C ATOM 682 C GLY A 43 -13.007 -4.030 0.518 1.00 0.00 C ATOM 683 O GLY A 43 -13.131 -5.240 0.543 1.00 0.00 O ATOM 0 H GLY A 43 -12.171 -1.698 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.606 -2.862 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.716 -3.825 -1.516 1.00 0.00 H new ATOM 687 N TRP A 44 -12.362 -3.401 1.467 1.00 0.00 N ATOM 688 CA TRP A 44 -11.769 -4.172 2.599 1.00 0.00 C ATOM 689 C TRP A 44 -11.181 -3.192 3.604 1.00 0.00 C ATOM 690 O TRP A 44 -11.254 -3.381 4.802 1.00 0.00 O ATOM 691 CB TRP A 44 -10.654 -5.079 2.083 1.00 0.00 C ATOM 692 CG TRP A 44 -9.993 -5.751 3.244 1.00 0.00 C ATOM 693 CD1 TRP A 44 -9.230 -5.125 4.169 1.00 0.00 C ATOM 694 CD2 TRP A 44 -10.022 -7.158 3.622 1.00 0.00 C ATOM 695 NE1 TRP A 44 -8.791 -6.056 5.092 1.00 0.00 N ATOM 696 CE2 TRP A 44 -9.252 -7.324 4.798 1.00 0.00 C ATOM 697 CE3 TRP A 44 -10.635 -8.295 3.065 1.00 0.00 C ATOM 698 CZ2 TRP A 44 -9.097 -8.574 5.401 1.00 0.00 C ATOM 699 CZ3 TRP A 44 -10.481 -9.554 3.669 1.00 0.00 C ATOM 700 CH2 TRP A 44 -9.713 -9.693 4.834 1.00 0.00 C ATOM 0 H TRP A 44 -12.221 -2.392 1.507 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.542 -4.781 3.068 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.061 -5.824 1.399 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -9.925 -4.496 1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.001 -4.070 4.184 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.199 -5.833 5.892 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -11.228 -8.199 2.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.505 -8.675 6.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -10.957 -10.420 3.233 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.598 -10.664 5.293 1.00 0.00 H new ATOM 711 N VAL A 45 -10.592 -2.147 3.112 1.00 0.00 N ATOM 712 CA VAL A 45 -9.978 -1.134 4.002 1.00 0.00 C ATOM 713 C VAL A 45 -11.068 -0.202 4.546 1.00 0.00 C ATOM 714 O VAL A 45 -12.167 -0.147 4.031 1.00 0.00 O ATOM 715 CB VAL A 45 -8.957 -0.341 3.177 1.00 0.00 C ATOM 716 CG1 VAL A 45 -8.803 1.070 3.735 1.00 0.00 C ATOM 717 CG2 VAL A 45 -7.605 -1.058 3.213 1.00 0.00 C ATOM 0 H VAL A 45 -10.508 -1.948 2.115 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.482 -1.610 4.848 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.310 -0.274 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.075 1.620 3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.764 1.583 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.460 1.017 4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.879 -0.495 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.260 -1.132 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.712 -2.058 2.794 1.00 0.00 H new ATOM 727 N GLU A 46 -10.762 0.538 5.578 1.00 0.00 N ATOM 728 CA GLU A 46 -11.767 1.475 6.152 1.00 0.00 C ATOM 729 C GLU A 46 -11.290 2.914 5.941 1.00 0.00 C ATOM 730 O GLU A 46 -10.183 3.270 6.296 1.00 0.00 O ATOM 731 CB GLU A 46 -11.925 1.204 7.649 1.00 0.00 C ATOM 732 CG GLU A 46 -12.924 2.199 8.245 1.00 0.00 C ATOM 733 CD GLU A 46 -13.271 1.782 9.675 1.00 0.00 C ATOM 734 OE1 GLU A 46 -12.446 1.993 10.549 1.00 0.00 O ATOM 735 OE2 GLU A 46 -14.356 1.260 9.872 1.00 0.00 O ATOM 0 H GLU A 46 -9.857 0.533 6.048 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.727 1.330 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.272 0.183 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.961 1.296 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.499 3.203 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.827 2.232 7.636 1.00 0.00 H new ATOM 742 N TYR A 47 -12.114 3.742 5.363 1.00 0.00 N ATOM 743 CA TYR A 47 -11.711 5.157 5.123 1.00 0.00 C ATOM 744 C TYR A 47 -12.456 6.064 6.114 1.00 0.00 C ATOM 745 O TYR A 47 -13.430 5.645 6.706 1.00 0.00 O ATOM 746 CB TYR A 47 -12.062 5.522 3.680 1.00 0.00 C ATOM 747 CG TYR A 47 -11.401 4.528 2.752 1.00 0.00 C ATOM 748 CD1 TYR A 47 -10.034 4.232 2.891 1.00 0.00 C ATOM 749 CD2 TYR A 47 -12.152 3.897 1.755 1.00 0.00 C ATOM 750 CE1 TYR A 47 -9.430 3.307 2.032 1.00 0.00 C ATOM 751 CE2 TYR A 47 -11.541 2.975 0.896 1.00 0.00 C ATOM 752 CZ TYR A 47 -10.181 2.683 1.038 1.00 0.00 C ATOM 753 OH TYR A 47 -9.573 1.789 0.188 1.00 0.00 O ATOM 0 H TYR A 47 -13.052 3.500 5.045 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.639 5.288 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.143 5.509 3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.724 6.533 3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.451 4.718 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.203 4.121 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.380 3.076 2.140 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.120 2.490 0.124 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.673 2.097 -0.737 1.00 0.00 H new ATOM 763 N PRO A 48 -11.959 7.266 6.302 1.00 0.00 N ATOM 764 CA PRO A 48 -10.773 7.790 5.590 1.00 0.00 C ATOM 765 C PRO A 48 -9.495 7.090 6.050 1.00 0.00 C ATOM 766 O PRO A 48 -9.261 6.896 7.226 1.00 0.00 O ATOM 767 CB PRO A 48 -10.762 9.279 5.951 1.00 0.00 C ATOM 768 CG PRO A 48 -11.586 9.417 7.249 1.00 0.00 C ATOM 769 CD PRO A 48 -12.534 8.205 7.287 1.00 0.00 C ATOM 0 HA PRO A 48 -10.817 7.621 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.743 9.636 6.098 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.196 9.876 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.935 9.430 8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.148 10.351 7.256 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.575 7.763 8.282 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.553 8.487 7.021 1.00 0.00 H new ATOM 777 N LEU A 49 -8.677 6.694 5.114 1.00 0.00 N ATOM 778 CA LEU A 49 -7.416 5.986 5.460 1.00 0.00 C ATOM 779 C LEU A 49 -6.232 6.948 5.325 1.00 0.00 C ATOM 780 O LEU A 49 -6.322 7.970 4.676 1.00 0.00 O ATOM 781 CB LEU A 49 -7.262 4.802 4.494 1.00 0.00 C ATOM 782 CG LEU A 49 -5.800 4.365 4.371 1.00 0.00 C ATOM 783 CD1 LEU A 49 -5.389 3.582 5.618 1.00 0.00 C ATOM 784 CD2 LEU A 49 -5.656 3.470 3.143 1.00 0.00 C ATOM 0 H LEU A 49 -8.831 6.833 4.115 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.443 5.625 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.865 3.964 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.644 5.080 3.512 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.161 5.243 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.348 3.273 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.504 4.214 6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.022 2.700 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.618 3.152 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.295 2.594 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.952 4.024 2.252 1.00 0.00 H new ATOM 796 N VAL A 50 -5.121 6.625 5.931 1.00 0.00 N ATOM 797 CA VAL A 50 -3.925 7.510 5.831 1.00 0.00 C ATOM 798 C VAL A 50 -2.757 6.693 5.262 1.00 0.00 C ATOM 799 O VAL A 50 -2.057 6.018 5.984 1.00 0.00 O ATOM 800 CB VAL A 50 -3.582 8.053 7.231 1.00 0.00 C ATOM 801 CG1 VAL A 50 -2.065 8.215 7.403 1.00 0.00 C ATOM 802 CG2 VAL A 50 -4.247 9.417 7.412 1.00 0.00 C ATOM 0 H VAL A 50 -4.990 5.784 6.493 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.123 8.354 5.170 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.945 7.344 7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.851 8.600 8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.579 7.248 7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.687 8.913 6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.010 9.809 8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.879 10.105 6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.327 9.311 7.314 1.00 0.00 H new ATOM 812 N LEU A 51 -2.543 6.750 3.975 1.00 0.00 N ATOM 813 CA LEU A 51 -1.422 5.973 3.369 1.00 0.00 C ATOM 814 C LEU A 51 -0.133 6.787 3.466 1.00 0.00 C ATOM 815 O LEU A 51 0.442 7.171 2.470 1.00 0.00 O ATOM 816 CB LEU A 51 -1.737 5.699 1.898 1.00 0.00 C ATOM 817 CG LEU A 51 -0.582 4.938 1.235 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.752 3.430 1.412 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.588 5.250 -0.250 1.00 0.00 C ATOM 0 H LEU A 51 -3.095 7.300 3.317 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.300 5.029 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.656 5.118 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.908 6.640 1.375 1.00 0.00 H new ATOM 0 HG LEU A 51 0.355 5.246 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.079 2.912 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.767 3.188 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.689 3.113 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.228 4.716 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.537 4.936 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.459 6.322 -0.397 1.00 0.00 H new ATOM 831 N GLU A 52 0.322 7.057 4.656 1.00 0.00 N ATOM 832 CA GLU A 52 1.574 7.852 4.810 1.00 0.00 C ATOM 833 C GLU A 52 2.749 7.087 4.192 1.00 0.00 C ATOM 834 O GLU A 52 3.452 6.373 4.874 1.00 0.00 O ATOM 835 CB GLU A 52 1.844 8.080 6.299 1.00 0.00 C ATOM 836 CG GLU A 52 3.212 8.742 6.475 1.00 0.00 C ATOM 837 CD GLU A 52 3.177 9.670 7.691 1.00 0.00 C ATOM 838 OE1 GLU A 52 2.236 10.439 7.797 1.00 0.00 O ATOM 839 OE2 GLU A 52 4.091 9.595 8.494 1.00 0.00 O ATOM 0 H GLU A 52 -0.117 6.763 5.529 1.00 0.00 H new ATOM 0 HA GLU A 52 1.462 8.811 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.065 8.711 6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.816 7.131 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.982 7.981 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.472 9.307 5.580 1.00 0.00 H new ATOM 846 N TRP A 53 2.975 7.230 2.909 1.00 0.00 N ATOM 847 CA TRP A 53 4.113 6.499 2.281 1.00 0.00 C ATOM 848 C TRP A 53 5.418 7.248 2.549 1.00 0.00 C ATOM 849 O TRP A 53 5.572 8.397 2.183 1.00 0.00 O ATOM 850 CB TRP A 53 3.908 6.376 0.768 1.00 0.00 C ATOM 851 CG TRP A 53 4.613 5.144 0.293 1.00 0.00 C ATOM 852 CD1 TRP A 53 5.933 4.892 0.459 1.00 0.00 C ATOM 853 CD2 TRP A 53 4.064 3.987 -0.402 1.00 0.00 C ATOM 854 NE1 TRP A 53 6.225 3.654 -0.084 1.00 0.00 N ATOM 855 CE2 TRP A 53 5.104 3.058 -0.627 1.00 0.00 C ATOM 856 CE3 TRP A 53 2.774 3.658 -0.848 1.00 0.00 C ATOM 857 CZ2 TRP A 53 4.872 1.846 -1.272 1.00 0.00 C ATOM 858 CZ3 TRP A 53 2.533 2.440 -1.497 1.00 0.00 C ATOM 859 CH2 TRP A 53 3.582 1.533 -1.709 1.00 0.00 C ATOM 0 H TRP A 53 2.427 7.814 2.278 1.00 0.00 H new ATOM 0 HA TRP A 53 4.161 5.500 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.845 6.319 0.533 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.300 7.257 0.260 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.643 5.551 0.938 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.154 3.233 -0.083 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.960 4.350 -0.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.684 1.152 -1.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.536 2.198 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.393 0.595 -2.209 1.00 0.00 H new ATOM 870 N ARG A 54 6.365 6.607 3.177 1.00 0.00 N ATOM 871 CA ARG A 54 7.662 7.283 3.459 1.00 0.00 C ATOM 872 C ARG A 54 8.723 6.750 2.496 1.00 0.00 C ATOM 873 O ARG A 54 8.666 5.616 2.065 1.00 0.00 O ATOM 874 CB ARG A 54 8.091 6.994 4.901 1.00 0.00 C ATOM 875 CG ARG A 54 6.861 6.994 5.811 1.00 0.00 C ATOM 876 CD ARG A 54 7.305 6.868 7.269 1.00 0.00 C ATOM 877 NE ARG A 54 8.206 8.003 7.614 1.00 0.00 N ATOM 878 CZ ARG A 54 7.792 8.942 8.420 1.00 0.00 C ATOM 879 NH1 ARG A 54 6.852 9.761 8.037 1.00 0.00 N ATOM 880 NH2 ARG A 54 8.320 9.062 9.608 1.00 0.00 N ATOM 0 H ARG A 54 6.296 5.644 3.507 1.00 0.00 H new ATOM 0 HA ARG A 54 7.550 8.359 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.596 6.029 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.805 7.746 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.292 7.913 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.201 6.167 5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.435 6.867 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.821 5.920 7.422 1.00 0.00 H new ATOM 0 HE ARG A 54 9.146 8.046 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.441 9.667 7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.528 10.495 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.056 8.422 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.996 9.796 10.238 1.00 0.00 H new ATOM 894 N GLN A 55 9.689 7.558 2.152 1.00 0.00 N ATOM 895 CA GLN A 55 10.753 7.097 1.213 1.00 0.00 C ATOM 896 C GLN A 55 10.129 6.751 -0.141 1.00 0.00 C ATOM 897 O GLN A 55 10.072 7.575 -1.028 1.00 0.00 O ATOM 898 CB GLN A 55 11.446 5.861 1.790 1.00 0.00 C ATOM 899 CG GLN A 55 12.273 6.264 3.013 1.00 0.00 C ATOM 900 CD GLN A 55 13.496 7.063 2.561 1.00 0.00 C ATOM 901 OE1 GLN A 55 13.589 7.459 1.416 1.00 0.00 O ATOM 902 NE2 GLN A 55 14.447 7.320 3.419 1.00 0.00 N ATOM 0 H GLN A 55 9.788 8.519 2.481 1.00 0.00 H new ATOM 0 HA GLN A 55 11.486 7.893 1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.705 5.113 2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.089 5.407 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.667 6.861 3.694 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.588 5.376 3.561 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.370 6.988 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.267 7.853 3.128 1.00 0.00 H new ATOM 911 N PHE A 56 9.671 5.532 -0.298 1.00 0.00 N ATOM 912 CA PHE A 56 9.050 5.097 -1.588 1.00 0.00 C ATOM 913 C PHE A 56 10.146 4.651 -2.557 1.00 0.00 C ATOM 914 O PHE A 56 10.072 3.591 -3.146 1.00 0.00 O ATOM 915 CB PHE A 56 8.250 6.244 -2.219 1.00 0.00 C ATOM 916 CG PHE A 56 7.422 5.702 -3.360 1.00 0.00 C ATOM 917 CD1 PHE A 56 6.365 4.824 -3.104 1.00 0.00 C ATOM 918 CD2 PHE A 56 7.716 6.077 -4.678 1.00 0.00 C ATOM 919 CE1 PHE A 56 5.600 4.320 -4.161 1.00 0.00 C ATOM 920 CE2 PHE A 56 6.951 5.573 -5.734 1.00 0.00 C ATOM 921 CZ PHE A 56 5.893 4.694 -5.477 1.00 0.00 C ATOM 0 H PHE A 56 9.702 4.811 0.423 1.00 0.00 H new ATOM 0 HA PHE A 56 8.372 4.268 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.604 6.707 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.926 7.019 -2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.139 4.534 -2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.533 6.755 -4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.783 3.642 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.177 5.862 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.303 4.305 -6.294 1.00 0.00 H new ATOM 931 N GLU A 57 11.163 5.450 -2.730 1.00 0.00 N ATOM 932 CA GLU A 57 12.260 5.071 -3.661 1.00 0.00 C ATOM 933 C GLU A 57 12.815 3.701 -3.265 1.00 0.00 C ATOM 934 O GLU A 57 12.929 2.807 -4.081 1.00 0.00 O ATOM 935 CB GLU A 57 13.377 6.115 -3.586 1.00 0.00 C ATOM 936 CG GLU A 57 12.839 7.470 -4.052 1.00 0.00 C ATOM 937 CD GLU A 57 12.954 8.484 -2.912 1.00 0.00 C ATOM 938 OE1 GLU A 57 13.874 8.354 -2.121 1.00 0.00 O ATOM 939 OE2 GLU A 57 12.121 9.373 -2.850 1.00 0.00 O ATOM 0 H GLU A 57 11.281 6.350 -2.265 1.00 0.00 H new ATOM 0 HA GLU A 57 11.873 5.026 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.750 6.191 -2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.217 5.811 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.400 7.817 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.799 7.373 -4.363 1.00 0.00 H new ATOM 946 N GLN A 58 13.161 3.527 -2.018 1.00 0.00 N ATOM 947 CA GLN A 58 13.709 2.214 -1.576 1.00 0.00 C ATOM 948 C GLN A 58 12.587 1.175 -1.531 1.00 0.00 C ATOM 949 O GLN A 58 11.456 1.483 -1.214 1.00 0.00 O ATOM 950 CB GLN A 58 14.327 2.353 -0.184 1.00 0.00 C ATOM 951 CG GLN A 58 13.306 2.970 0.776 1.00 0.00 C ATOM 952 CD GLN A 58 14.006 3.983 1.682 1.00 0.00 C ATOM 953 OE1 GLN A 58 13.936 3.886 2.891 1.00 0.00 O ATOM 954 NE2 GLN A 58 14.686 4.960 1.145 1.00 0.00 N ATOM 0 H GLN A 58 13.088 4.236 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 58 14.475 1.892 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.642 1.376 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.219 2.978 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.510 3.458 0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.839 2.190 1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.745 5.042 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.158 5.641 1.740 1.00 0.00 H new ATOM 963 N SER A 59 12.901 -0.054 -1.856 1.00 0.00 N ATOM 964 CA SER A 59 11.872 -1.140 -1.847 1.00 0.00 C ATOM 965 C SER A 59 11.087 -1.126 -3.163 1.00 0.00 C ATOM 966 O SER A 59 10.517 -2.121 -3.566 1.00 0.00 O ATOM 967 CB SER A 59 10.909 -0.937 -0.676 1.00 0.00 C ATOM 968 OG SER A 59 10.252 -2.165 -0.390 1.00 0.00 O ATOM 0 H SER A 59 13.836 -0.355 -2.130 1.00 0.00 H new ATOM 0 HA SER A 59 12.375 -2.101 -1.737 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.454 -0.590 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.177 -0.168 -0.922 1.00 0.00 H new ATOM 0 HG SER A 59 9.284 -2.050 -0.493 1.00 0.00 H new ATOM 974 N LYS A 60 11.051 -0.009 -3.833 1.00 0.00 N ATOM 975 CA LYS A 60 10.304 0.074 -5.119 1.00 0.00 C ATOM 976 C LYS A 60 11.154 -0.504 -6.252 1.00 0.00 C ATOM 977 O LYS A 60 10.696 -1.301 -7.046 1.00 0.00 O ATOM 978 CB LYS A 60 10.006 1.539 -5.421 1.00 0.00 C ATOM 979 CG LYS A 60 9.278 1.649 -6.761 1.00 0.00 C ATOM 980 CD LYS A 60 9.672 2.957 -7.452 1.00 0.00 C ATOM 981 CE LYS A 60 10.151 2.659 -8.874 1.00 0.00 C ATOM 982 NZ LYS A 60 9.809 3.804 -9.764 1.00 0.00 N ATOM 0 H LYS A 60 11.509 0.855 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 60 9.377 -0.493 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.394 1.967 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.934 2.110 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.532 0.800 -7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.200 1.619 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.821 3.637 -7.479 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.461 3.455 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.228 2.490 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.684 1.746 -9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.135 3.602 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.779 3.945 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.275 4.666 -9.415 1.00 0.00 H new ATOM 996 N GLN A 61 12.391 -0.102 -6.328 1.00 0.00 N ATOM 997 CA GLN A 61 13.287 -0.616 -7.404 1.00 0.00 C ATOM 998 C GLN A 61 13.808 -1.988 -7.001 1.00 0.00 C ATOM 999 O GLN A 61 14.334 -2.736 -7.801 1.00 0.00 O ATOM 1000 CB GLN A 61 14.465 0.339 -7.572 1.00 0.00 C ATOM 1001 CG GLN A 61 13.972 1.661 -8.163 1.00 0.00 C ATOM 1002 CD GLN A 61 15.042 2.738 -7.968 1.00 0.00 C ATOM 1003 OE1 GLN A 61 14.729 3.904 -7.832 1.00 0.00 O ATOM 1004 NE2 GLN A 61 16.300 2.393 -7.947 1.00 0.00 N ATOM 0 H GLN A 61 12.824 0.564 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 61 12.737 -0.690 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 61 14.944 0.515 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.216 -0.105 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.753 1.538 -9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.043 1.964 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 61 16.562 1.414 -8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.021 3.102 -7.816 1.00 0.00 H new ATOM 1013 N LEU A 62 13.665 -2.310 -5.756 1.00 0.00 N ATOM 1014 CA LEU A 62 14.144 -3.619 -5.248 1.00 0.00 C ATOM 1015 C LEU A 62 13.203 -4.720 -5.738 1.00 0.00 C ATOM 1016 O LEU A 62 13.428 -5.893 -5.513 1.00 0.00 O ATOM 1017 CB LEU A 62 14.146 -3.583 -3.717 1.00 0.00 C ATOM 1018 CG LEU A 62 15.264 -2.661 -3.209 1.00 0.00 C ATOM 1019 CD1 LEU A 62 15.171 -1.282 -3.876 1.00 0.00 C ATOM 1020 CD2 LEU A 62 15.120 -2.488 -1.698 1.00 0.00 C ATOM 0 H LEU A 62 13.229 -1.713 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 62 15.152 -3.819 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.181 -3.231 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.287 -4.589 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 62 16.227 -3.110 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.971 -0.643 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.268 -1.393 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.207 -0.829 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.911 -1.834 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.149 -2.046 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.197 -3.460 -1.211 1.00 0.00 H new ATOM 1032 N THR A 63 12.147 -4.347 -6.408 1.00 0.00 N ATOM 1033 CA THR A 63 11.181 -5.356 -6.919 1.00 0.00 C ATOM 1034 C THR A 63 10.839 -5.027 -8.377 1.00 0.00 C ATOM 1035 O THR A 63 11.689 -4.619 -9.142 1.00 0.00 O ATOM 1036 CB THR A 63 9.916 -5.309 -6.058 1.00 0.00 C ATOM 1037 OG1 THR A 63 9.103 -6.442 -6.333 1.00 0.00 O ATOM 1038 CG2 THR A 63 9.143 -4.025 -6.360 1.00 0.00 C ATOM 0 H THR A 63 11.912 -3.378 -6.624 1.00 0.00 H new ATOM 0 HA THR A 63 11.614 -6.355 -6.870 1.00 0.00 H new ATOM 0 HB THR A 63 10.194 -5.322 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.184 -6.264 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.242 -3.990 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.769 -3.162 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.866 -4.006 -7.414 1.00 0.00 H new ATOM 1046 N GLU A 64 9.604 -5.195 -8.770 1.00 0.00 N ATOM 1047 CA GLU A 64 9.225 -4.884 -10.178 1.00 0.00 C ATOM 1048 C GLU A 64 8.072 -3.879 -10.178 1.00 0.00 C ATOM 1049 O GLU A 64 7.969 -3.035 -11.045 1.00 0.00 O ATOM 1050 CB GLU A 64 8.785 -6.169 -10.884 1.00 0.00 C ATOM 1051 CG GLU A 64 8.014 -7.054 -9.903 1.00 0.00 C ATOM 1052 CD GLU A 64 7.756 -8.420 -10.542 1.00 0.00 C ATOM 1053 OE1 GLU A 64 8.141 -8.598 -11.686 1.00 0.00 O ATOM 1054 OE2 GLU A 64 7.180 -9.264 -9.876 1.00 0.00 O ATOM 0 H GLU A 64 8.844 -5.533 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 64 10.080 -4.459 -10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.158 -5.928 -11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.655 -6.703 -11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.582 -7.174 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.069 -6.581 -9.636 1.00 0.00 H new ATOM 1061 N ASN A 65 7.205 -3.965 -9.207 1.00 0.00 N ATOM 1062 CA ASN A 65 6.057 -3.018 -9.139 1.00 0.00 C ATOM 1063 C ASN A 65 5.219 -3.338 -7.904 1.00 0.00 C ATOM 1064 O ASN A 65 4.024 -3.536 -7.984 1.00 0.00 O ATOM 1065 CB ASN A 65 5.197 -3.164 -10.396 1.00 0.00 C ATOM 1066 CG ASN A 65 4.478 -1.843 -10.677 1.00 0.00 C ATOM 1067 OD1 ASN A 65 5.035 -0.781 -10.483 1.00 0.00 O ATOM 1068 ND2 ASN A 65 3.254 -1.864 -11.130 1.00 0.00 N ATOM 0 H ASN A 65 7.243 -4.653 -8.455 1.00 0.00 H new ATOM 0 HA ASN A 65 6.427 -1.995 -9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.821 -3.439 -11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.470 -3.965 -10.261 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.766 -0.989 -11.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.786 -2.755 -11.293 1.00 0.00 H new ATOM 1075 N GLY A 66 5.841 -3.383 -6.760 1.00 0.00 N ATOM 1076 CA GLY A 66 5.091 -3.682 -5.511 1.00 0.00 C ATOM 1077 C GLY A 66 4.733 -2.366 -4.828 1.00 0.00 C ATOM 1078 O GLY A 66 3.586 -2.093 -4.541 1.00 0.00 O ATOM 0 H GLY A 66 6.841 -3.225 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.187 -4.247 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.695 -4.300 -4.847 1.00 0.00 H new ATOM 1082 N ALA A 67 5.712 -1.543 -4.575 1.00 0.00 N ATOM 1083 CA ALA A 67 5.434 -0.233 -3.922 1.00 0.00 C ATOM 1084 C ALA A 67 4.804 0.718 -4.941 1.00 0.00 C ATOM 1085 O ALA A 67 3.961 1.528 -4.610 1.00 0.00 O ATOM 1086 CB ALA A 67 6.741 0.377 -3.414 1.00 0.00 C ATOM 0 H ALA A 67 6.693 -1.721 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 67 4.752 -0.386 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.534 1.335 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.200 -0.297 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.422 0.528 -4.252 1.00 0.00 H new ATOM 1092 N GLU A 68 5.219 0.636 -6.176 1.00 0.00 N ATOM 1093 CA GLU A 68 4.661 1.543 -7.209 1.00 0.00 C ATOM 1094 C GLU A 68 3.245 1.105 -7.588 1.00 0.00 C ATOM 1095 O GLU A 68 2.384 1.923 -7.844 1.00 0.00 O ATOM 1096 CB GLU A 68 5.554 1.508 -8.450 1.00 0.00 C ATOM 1097 CG GLU A 68 5.860 2.939 -8.897 1.00 0.00 C ATOM 1098 CD GLU A 68 4.786 3.407 -9.879 1.00 0.00 C ATOM 1099 OE1 GLU A 68 4.884 3.060 -11.044 1.00 0.00 O ATOM 1100 OE2 GLU A 68 3.882 4.104 -9.450 1.00 0.00 O ATOM 0 H GLU A 68 5.922 -0.023 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 68 4.623 2.556 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.481 0.978 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.058 0.963 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.892 3.602 -8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.842 2.982 -9.368 1.00 0.00 H new ATOM 1107 N SER A 69 2.996 -0.175 -7.639 1.00 0.00 N ATOM 1108 CA SER A 69 1.635 -0.646 -8.017 1.00 0.00 C ATOM 1109 C SER A 69 0.679 -0.482 -6.840 1.00 0.00 C ATOM 1110 O SER A 69 -0.408 0.049 -6.990 1.00 0.00 O ATOM 1111 CB SER A 69 1.696 -2.117 -8.430 1.00 0.00 C ATOM 1112 OG SER A 69 1.617 -2.934 -7.270 1.00 0.00 O ATOM 0 H SER A 69 3.673 -0.911 -7.436 1.00 0.00 H new ATOM 0 HA SER A 69 1.272 -0.050 -8.854 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.876 -2.350 -9.110 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.623 -2.318 -8.968 1.00 0.00 H new ATOM 0 HG SER A 69 2.399 -3.523 -7.231 1.00 0.00 H new ATOM 1118 N VAL A 70 1.057 -0.902 -5.660 1.00 0.00 N ATOM 1119 CA VAL A 70 0.137 -0.719 -4.520 1.00 0.00 C ATOM 1120 C VAL A 70 -0.239 0.731 -4.511 1.00 0.00 C ATOM 1121 O VAL A 70 -1.323 1.099 -4.150 1.00 0.00 O ATOM 1122 CB VAL A 70 0.810 -1.015 -3.181 1.00 0.00 C ATOM 1123 CG1 VAL A 70 -0.141 -0.592 -2.046 1.00 0.00 C ATOM 1124 CG2 VAL A 70 1.117 -2.510 -3.072 1.00 0.00 C ATOM 0 H VAL A 70 1.946 -1.354 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.709 -1.396 -4.635 1.00 0.00 H new ATOM 0 HB VAL A 70 1.745 -0.460 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.327 -0.798 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.352 0.474 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.072 -1.153 -2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.597 -2.714 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.189 -3.078 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.784 -2.804 -3.882 1.00 0.00 H new ATOM 1134 N LEU A 71 0.682 1.557 -4.891 1.00 0.00 N ATOM 1135 CA LEU A 71 0.402 2.994 -4.885 1.00 0.00 C ATOM 1136 C LEU A 71 -0.548 3.340 -6.023 1.00 0.00 C ATOM 1137 O LEU A 71 -1.475 4.091 -5.847 1.00 0.00 O ATOM 1138 CB LEU A 71 1.702 3.781 -5.023 1.00 0.00 C ATOM 1139 CG LEU A 71 1.468 5.235 -4.613 1.00 0.00 C ATOM 1140 CD1 LEU A 71 0.586 5.296 -3.361 1.00 0.00 C ATOM 1141 CD2 LEU A 71 2.816 5.894 -4.328 1.00 0.00 C ATOM 0 H LEU A 71 1.616 1.292 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.069 3.262 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.476 3.336 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.059 3.736 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 71 0.962 5.763 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.426 6.337 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.375 4.825 -3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.078 4.770 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.659 6.932 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.318 5.361 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.434 5.860 -5.225 1.00 0.00 H new ATOM 1153 N GLN A 72 -0.348 2.801 -7.187 1.00 0.00 N ATOM 1154 CA GLN A 72 -1.292 3.130 -8.286 1.00 0.00 C ATOM 1155 C GLN A 72 -2.711 2.824 -7.804 1.00 0.00 C ATOM 1156 O GLN A 72 -3.673 3.477 -8.166 1.00 0.00 O ATOM 1157 CB GLN A 72 -0.967 2.282 -9.519 1.00 0.00 C ATOM 1158 CG GLN A 72 -0.028 3.060 -10.442 1.00 0.00 C ATOM 1159 CD GLN A 72 0.089 2.332 -11.782 1.00 0.00 C ATOM 1160 OE1 GLN A 72 -0.017 2.940 -12.829 1.00 0.00 O ATOM 1161 NE2 GLN A 72 0.304 1.045 -11.796 1.00 0.00 N ATOM 0 H GLN A 72 0.410 2.161 -7.424 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.206 4.183 -8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.501 1.344 -9.216 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.884 2.025 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.407 4.070 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.955 3.156 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.393 0.533 -10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.383 0.551 -12.685 1.00 0.00 H new ATOM 1170 N VAL A 73 -2.834 1.826 -6.979 1.00 0.00 N ATOM 1171 CA VAL A 73 -4.174 1.434 -6.452 1.00 0.00 C ATOM 1172 C VAL A 73 -4.593 2.339 -5.292 1.00 0.00 C ATOM 1173 O VAL A 73 -5.704 2.820 -5.250 1.00 0.00 O ATOM 1174 CB VAL A 73 -4.109 -0.012 -5.974 1.00 0.00 C ATOM 1175 CG1 VAL A 73 -5.421 -0.393 -5.302 1.00 0.00 C ATOM 1176 CG2 VAL A 73 -3.880 -0.911 -7.185 1.00 0.00 C ATOM 0 H VAL A 73 -2.057 1.257 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.912 1.538 -7.247 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.297 -0.129 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.369 -1.427 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.596 0.261 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.239 -0.286 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.831 -1.951 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.702 -0.789 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.943 -0.637 -7.670 1.00 0.00 H new ATOM 1186 N PHE A 74 -3.720 2.584 -4.357 1.00 0.00 N ATOM 1187 CA PHE A 74 -4.073 3.460 -3.226 1.00 0.00 C ATOM 1188 C PHE A 74 -4.609 4.751 -3.816 1.00 0.00 C ATOM 1189 O PHE A 74 -5.698 5.199 -3.512 1.00 0.00 O ATOM 1190 CB PHE A 74 -2.817 3.737 -2.409 1.00 0.00 C ATOM 1191 CG PHE A 74 -2.794 2.840 -1.201 1.00 0.00 C ATOM 1192 CD1 PHE A 74 -3.415 3.243 -0.019 1.00 0.00 C ATOM 1193 CD2 PHE A 74 -2.155 1.599 -1.265 1.00 0.00 C ATOM 1194 CE1 PHE A 74 -3.398 2.404 1.094 1.00 0.00 C ATOM 1195 CE2 PHE A 74 -2.137 0.762 -0.149 1.00 0.00 C ATOM 1196 CZ PHE A 74 -2.762 1.169 1.028 1.00 0.00 C ATOM 0 H PHE A 74 -2.772 2.209 -4.334 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.818 3.001 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.929 3.566 -3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.795 4.782 -2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.908 4.203 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.674 1.287 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.880 2.714 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.641 -0.196 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.752 0.522 1.893 1.00 0.00 H new ATOM 1206 N ARG A 75 -3.844 5.332 -4.692 1.00 0.00 N ATOM 1207 CA ARG A 75 -4.286 6.574 -5.361 1.00 0.00 C ATOM 1208 C ARG A 75 -5.586 6.277 -6.114 1.00 0.00 C ATOM 1209 O ARG A 75 -6.512 7.058 -6.089 1.00 0.00 O ATOM 1210 CB ARG A 75 -3.213 7.040 -6.347 1.00 0.00 C ATOM 1211 CG ARG A 75 -2.203 7.929 -5.619 1.00 0.00 C ATOM 1212 CD ARG A 75 -1.257 8.566 -6.638 1.00 0.00 C ATOM 1213 NE ARG A 75 -1.998 9.583 -7.435 1.00 0.00 N ATOM 1214 CZ ARG A 75 -1.562 10.811 -7.491 1.00 0.00 C ATOM 1215 NH1 ARG A 75 -1.045 11.369 -6.431 1.00 0.00 N ATOM 1216 NH2 ARG A 75 -1.645 11.482 -8.608 1.00 0.00 N ATOM 0 H ARG A 75 -2.924 4.994 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.449 7.360 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.707 6.179 -6.784 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.673 7.590 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.724 8.704 -5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.636 7.339 -4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.415 9.032 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.846 7.801 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.846 9.319 -7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.982 10.845 -5.558 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.704 12.329 -6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.051 11.046 -9.436 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.304 12.442 -8.653 1.00 0.00 H new ATOM 1230 N GLU A 76 -5.676 5.146 -6.778 1.00 0.00 N ATOM 1231 CA GLU A 76 -6.940 4.829 -7.508 1.00 0.00 C ATOM 1232 C GLU A 76 -8.106 4.857 -6.520 1.00 0.00 C ATOM 1233 O GLU A 76 -9.241 5.077 -6.883 1.00 0.00 O ATOM 1234 CB GLU A 76 -6.851 3.430 -8.111 1.00 0.00 C ATOM 1235 CG GLU A 76 -6.280 3.512 -9.522 1.00 0.00 C ATOM 1236 CD GLU A 76 -7.133 4.460 -10.366 1.00 0.00 C ATOM 1237 OE1 GLU A 76 -8.331 4.504 -10.144 1.00 0.00 O ATOM 1238 OE2 GLU A 76 -6.573 5.127 -11.222 1.00 0.00 O ATOM 0 H GLU A 76 -4.941 4.442 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.092 5.563 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.219 2.795 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.839 2.971 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.250 3.866 -9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.262 2.521 -9.976 1.00 0.00 H new ATOM 1245 N ALA A 77 -7.825 4.621 -5.273 1.00 0.00 N ATOM 1246 CA ALA A 77 -8.897 4.618 -4.243 1.00 0.00 C ATOM 1247 C ALA A 77 -9.221 6.060 -3.843 1.00 0.00 C ATOM 1248 O ALA A 77 -10.356 6.487 -3.915 1.00 0.00 O ATOM 1249 CB ALA A 77 -8.402 3.827 -3.026 1.00 0.00 C ATOM 0 H ALA A 77 -6.888 4.428 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.801 4.153 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.177 3.815 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.172 2.805 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.504 4.299 -2.626 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.241 6.820 -3.438 1.00 0.00 N ATOM 1256 CA LYS A 78 -8.510 8.226 -3.058 1.00 0.00 C ATOM 1257 C LYS A 78 -8.927 9.012 -4.306 1.00 0.00 C ATOM 1258 O LYS A 78 -9.362 10.143 -4.225 1.00 0.00 O ATOM 1259 CB LYS A 78 -7.239 8.827 -2.467 1.00 0.00 C ATOM 1260 CG LYS A 78 -6.042 8.479 -3.351 1.00 0.00 C ATOM 1261 CD LYS A 78 -5.426 9.765 -3.903 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.165 10.740 -2.753 1.00 0.00 C ATOM 1263 NZ LYS A 78 -4.053 11.659 -3.122 1.00 0.00 N ATOM 0 H LYS A 78 -7.268 6.524 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.312 8.272 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.341 9.909 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.081 8.446 -1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.300 7.925 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.357 7.833 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.494 9.541 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.097 10.218 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.067 11.312 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.911 10.190 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.865 12.310 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.197 11.104 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.320 12.205 -3.966 1.00 0.00 H new ATOM 1277 N ALA A 79 -8.804 8.411 -5.461 1.00 0.00 N ATOM 1278 CA ALA A 79 -9.196 9.102 -6.722 1.00 0.00 C ATOM 1279 C ALA A 79 -10.629 8.733 -7.069 1.00 0.00 C ATOM 1280 O ALA A 79 -11.530 9.547 -7.037 1.00 0.00 O ATOM 1281 CB ALA A 79 -8.300 8.622 -7.866 1.00 0.00 C ATOM 0 H ALA A 79 -8.446 7.464 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.096 10.179 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.586 9.127 -8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.260 8.851 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.415 7.545 -7.991 1.00 0.00 H new ATOM 1287 N GLU A 80 -10.828 7.498 -7.416 1.00 0.00 N ATOM 1288 CA GLU A 80 -12.177 7.024 -7.790 1.00 0.00 C ATOM 1289 C GLU A 80 -13.198 7.465 -6.741 1.00 0.00 C ATOM 1290 O GLU A 80 -14.122 8.195 -7.040 1.00 0.00 O ATOM 1291 CB GLU A 80 -12.150 5.502 -7.891 1.00 0.00 C ATOM 1292 CG GLU A 80 -11.012 5.067 -8.818 1.00 0.00 C ATOM 1293 CD GLU A 80 -11.595 4.601 -10.154 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -12.104 5.439 -10.880 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -11.521 3.414 -10.429 1.00 0.00 O ATOM 0 H GLU A 80 -10.098 6.786 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.466 7.451 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.014 5.065 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.103 5.136 -8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.322 5.896 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.441 4.261 -8.357 1.00 0.00 H new ATOM 1302 N GLY A 81 -13.054 7.034 -5.515 1.00 0.00 N ATOM 1303 CA GLY A 81 -14.045 7.454 -4.481 1.00 0.00 C ATOM 1304 C GLY A 81 -13.465 7.271 -3.079 1.00 0.00 C ATOM 1305 O GLY A 81 -13.723 8.053 -2.185 1.00 0.00 O ATOM 0 H GLY A 81 -12.307 6.420 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.319 8.498 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.957 6.866 -4.583 1.00 0.00 H new ATOM 1309 N ALA A 82 -12.697 6.238 -2.876 1.00 0.00 N ATOM 1310 CA ALA A 82 -12.107 5.991 -1.531 1.00 0.00 C ATOM 1311 C ALA A 82 -11.647 7.306 -0.898 1.00 0.00 C ATOM 1312 O ALA A 82 -11.268 8.239 -1.577 1.00 0.00 O ATOM 1313 CB ALA A 82 -10.904 5.063 -1.673 1.00 0.00 C ATOM 0 H ALA A 82 -12.451 5.550 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.865 5.535 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.468 4.879 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.224 4.117 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.159 5.529 -2.319 1.00 0.00 H new ATOM 1319 N ASP A 83 -11.654 7.371 0.405 1.00 0.00 N ATOM 1320 CA ASP A 83 -11.195 8.603 1.102 1.00 0.00 C ATOM 1321 C ASP A 83 -9.838 8.304 1.735 1.00 0.00 C ATOM 1322 O ASP A 83 -9.673 8.340 2.939 1.00 0.00 O ATOM 1323 CB ASP A 83 -12.200 8.987 2.192 1.00 0.00 C ATOM 1324 CG ASP A 83 -13.329 9.816 1.578 1.00 0.00 C ATOM 1325 OD1 ASP A 83 -13.308 10.012 0.375 1.00 0.00 O ATOM 1326 OD2 ASP A 83 -14.196 10.242 2.324 1.00 0.00 O ATOM 0 H ASP A 83 -11.960 6.617 1.020 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.114 9.431 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.606 8.090 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.702 9.557 2.976 1.00 0.00 H new ATOM 1331 N ILE A 84 -8.872 7.975 0.924 1.00 0.00 N ATOM 1332 CA ILE A 84 -7.528 7.633 1.459 1.00 0.00 C ATOM 1333 C ILE A 84 -6.582 8.826 1.337 1.00 0.00 C ATOM 1334 O ILE A 84 -6.738 9.681 0.488 1.00 0.00 O ATOM 1335 CB ILE A 84 -6.972 6.456 0.656 1.00 0.00 C ATOM 1336 CG1 ILE A 84 -7.734 5.197 1.032 1.00 0.00 C ATOM 1337 CG2 ILE A 84 -5.495 6.244 0.980 1.00 0.00 C ATOM 1338 CD1 ILE A 84 -7.890 4.309 -0.198 1.00 0.00 C ATOM 0 H ILE A 84 -8.958 7.928 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.614 7.369 2.513 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.082 6.670 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.203 4.659 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.714 5.458 1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.113 5.403 0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.934 7.144 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.382 6.034 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.437 3.406 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.440 4.849 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.905 4.037 -0.578 1.00 0.00 H new ATOM 1350 N THR A 85 -5.586 8.868 2.177 1.00 0.00 N ATOM 1351 CA THR A 85 -4.596 9.973 2.120 1.00 0.00 C ATOM 1352 C THR A 85 -3.296 9.412 1.548 1.00 0.00 C ATOM 1353 O THR A 85 -2.447 8.927 2.270 1.00 0.00 O ATOM 1354 CB THR A 85 -4.347 10.513 3.531 1.00 0.00 C ATOM 1355 OG1 THR A 85 -5.574 10.548 4.246 1.00 0.00 O ATOM 1356 CG2 THR A 85 -3.764 11.925 3.446 1.00 0.00 C ATOM 0 H THR A 85 -5.416 8.176 2.907 1.00 0.00 H new ATOM 0 HA THR A 85 -4.967 10.785 1.494 1.00 0.00 H new ATOM 0 HB THR A 85 -3.642 9.863 4.049 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.862 9.633 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.588 12.307 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.822 11.897 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.466 12.578 2.928 1.00 0.00 H new ATOM 1364 N ILE A 86 -3.148 9.454 0.254 1.00 0.00 N ATOM 1365 CA ILE A 86 -1.915 8.907 -0.374 1.00 0.00 C ATOM 1366 C ILE A 86 -0.764 9.891 -0.158 1.00 0.00 C ATOM 1367 O ILE A 86 -0.641 10.885 -0.846 1.00 0.00 O ATOM 1368 CB ILE A 86 -2.183 8.670 -1.875 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -2.482 7.182 -2.116 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -0.968 9.071 -2.721 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -3.388 6.626 -1.006 1.00 0.00 C ATOM 0 H ILE A 86 -3.829 9.844 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.638 7.956 0.080 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.036 9.282 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.965 7.055 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.549 6.619 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.184 8.894 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.751 10.128 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.105 8.476 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.588 5.571 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.891 6.735 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.328 7.177 -0.993 1.00 0.00 H new ATOM 1383 N ILE A 87 0.076 9.616 0.797 1.00 0.00 N ATOM 1384 CA ILE A 87 1.222 10.531 1.066 1.00 0.00 C ATOM 1385 C ILE A 87 2.460 10.037 0.316 1.00 0.00 C ATOM 1386 O ILE A 87 2.702 8.850 0.211 1.00 0.00 O ATOM 1387 CB ILE A 87 1.514 10.561 2.566 1.00 0.00 C ATOM 1388 CG1 ILE A 87 0.193 10.512 3.343 1.00 0.00 C ATOM 1389 CG2 ILE A 87 2.263 11.848 2.915 1.00 0.00 C ATOM 1390 CD1 ILE A 87 0.449 10.854 4.812 1.00 0.00 C ATOM 0 H ILE A 87 0.021 8.798 1.404 1.00 0.00 H new ATOM 0 HA ILE A 87 0.968 11.535 0.726 1.00 0.00 H new ATOM 0 HB ILE A 87 2.127 9.701 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.519 11.217 2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.252 9.520 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.471 11.869 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.202 11.884 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.651 12.709 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.491 10.819 5.363 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.146 10.132 5.237 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.874 11.855 4.884 1.00 0.00 H new ATOM 1402 N LEU A 88 3.247 10.937 -0.207 1.00 0.00 N ATOM 1403 CA LEU A 88 4.469 10.520 -0.950 1.00 0.00 C ATOM 1404 C LEU A 88 5.591 11.531 -0.696 1.00 0.00 C ATOM 1405 O LEU A 88 6.681 11.175 -0.293 1.00 0.00 O ATOM 1406 CB LEU A 88 4.163 10.464 -2.448 1.00 0.00 C ATOM 1407 CG LEU A 88 3.549 9.107 -2.792 1.00 0.00 C ATOM 1408 CD1 LEU A 88 2.545 9.275 -3.934 1.00 0.00 C ATOM 1409 CD2 LEU A 88 4.656 8.143 -3.226 1.00 0.00 C ATOM 0 H LEU A 88 3.096 11.944 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 88 4.783 9.534 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.476 11.265 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.076 10.618 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 88 3.039 8.707 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.107 8.307 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.757 9.962 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.055 9.675 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.220 7.175 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.165 8.544 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.373 8.022 -2.414 1.00 0.00 H new