USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 618 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 73 LYS NZ :NH3+ -136:sc= -0.0083 (180deg=0) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.0622 X(o=-0.07,f=0) USER MOD Set 2.1: A 20 THR OG1 : rot 83:sc= 0.355 USER MOD Set 2.2: A 23 GLN :FLIP amide:sc= -1.49 F(o=-4.3,f=-3) USER MOD Set 2.3: A 35 TYR OH : rot 80:sc= -0.105 USER MOD Set 2.4: A 36 GLN :FLIP amide:sc= -1.81 F(o=-4.2!,f=-3) USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= -0.107 USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0.0646 USER MOD Set 4.1: A 1 ASN N :NH3+ -158:sc= -0.0444 (180deg=-0.18) USER MOD Set 4.2: A 2 LYS NZ :NH3+ 160:sc= -0.162 (180deg=-0.522) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -105:sc= 0.0241 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.383) USER MOD Single : A 47 LYS NZ :NH3+ 144:sc= -0.811 (180deg=-2.04!) USER MOD Single : A 48 GLN : amide:sc= -7.28! C(o=-7.3!,f=-7.3!) USER MOD Single : A 49 MET CE :methyl -172:sc= -7.64! (180deg=-8.47!) USER MOD Single : A 50 TYR OH : rot -25:sc= 0.19 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -145:sc= -0.491 (180deg=-1.81!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.902! F(o=-2,f=-0.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.835 K(o=-0.84,f=-1.8) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.239 USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0.064 (180deg=0.0434) USER MOD Single : A 76 SER OG : rot -13:sc= 0.579 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.779 -9.421 3.221 1.00 0.00 N ATOM 2 CA ASN A 1 -16.562 -10.889 3.142 1.00 0.00 C ATOM 3 C ASN A 1 -16.078 -11.301 1.755 1.00 0.00 C ATOM 4 O ASN A 1 -15.332 -12.270 1.610 1.00 0.00 O ATOM 5 CB ASN A 1 -17.877 -11.595 3.473 1.00 0.00 C ATOM 6 CG ASN A 1 -17.727 -13.103 3.527 1.00 0.00 C ATOM 7 OD1 ASN A 1 -18.339 -13.827 2.742 1.00 0.00 O ATOM 8 ND2 ASN A 1 -16.910 -13.583 4.457 1.00 0.00 N ATOM 0 H1 ASN A 1 -16.739 -9.117 4.215 1.00 0.00 H new ATOM 0 H2 ASN A 1 -16.039 -8.931 2.679 1.00 0.00 H new ATOM 0 H3 ASN A 1 -17.711 -9.186 2.824 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.791 -11.175 3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -18.248 -11.235 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -18.625 -11.334 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.769 -14.590 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -16.423 -12.945 5.087 1.00 0.00 H new ATOM 16 N LYS A 2 -16.506 -10.559 0.740 1.00 0.00 N ATOM 17 CA LYS A 2 -16.116 -10.848 -0.635 1.00 0.00 C ATOM 18 C LYS A 2 -15.657 -9.579 -1.348 1.00 0.00 C ATOM 19 O LYS A 2 -15.828 -9.439 -2.559 1.00 0.00 O ATOM 20 CB LYS A 2 -17.283 -11.480 -1.396 1.00 0.00 C ATOM 21 CG LYS A 2 -18.586 -10.711 -1.260 1.00 0.00 C ATOM 22 CD LYS A 2 -19.412 -11.216 -0.087 1.00 0.00 C ATOM 23 CE LYS A 2 -20.399 -10.165 0.392 1.00 0.00 C ATOM 24 NZ LYS A 2 -19.763 -9.184 1.315 1.00 0.00 N ATOM 0 H LYS A 2 -17.123 -9.753 0.843 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.284 -11.551 -0.610 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.021 -11.551 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.432 -12.498 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -18.372 -9.651 -1.126 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.163 -10.805 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.952 -12.116 -0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.750 -11.495 0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.814 -9.638 -0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.231 -10.653 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.338 -8.319 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.696 -9.596 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.810 -8.951 0.971 1.00 0.00 H new ATOM 38 N GLU A 3 -15.074 -8.658 -0.589 1.00 0.00 N ATOM 39 CA GLU A 3 -14.590 -7.402 -1.143 1.00 0.00 C ATOM 40 C GLU A 3 -13.931 -6.569 -0.053 1.00 0.00 C ATOM 41 O GLU A 3 -14.614 -5.958 0.769 1.00 0.00 O ATOM 42 CB GLU A 3 -15.740 -6.619 -1.779 1.00 0.00 C ATOM 43 CG GLU A 3 -15.311 -5.294 -2.389 1.00 0.00 C ATOM 44 CD GLU A 3 -16.309 -4.183 -2.128 1.00 0.00 C ATOM 45 OE1 GLU A 3 -17.249 -4.029 -2.936 1.00 0.00 O ATOM 46 OE2 GLU A 3 -16.147 -3.467 -1.119 1.00 0.00 O ATOM 0 H GLU A 3 -14.925 -8.760 0.415 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.852 -7.624 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.202 -7.233 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.502 -6.431 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.340 -5.009 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.183 -5.418 -3.464 1.00 0.00 H new ATOM 53 N LEU A 4 -12.602 -6.561 -0.044 1.00 0.00 N ATOM 54 CA LEU A 4 -11.848 -5.815 0.954 1.00 0.00 C ATOM 55 C LEU A 4 -12.038 -6.436 2.334 1.00 0.00 C ATOM 56 O LEU A 4 -13.081 -6.267 2.965 1.00 0.00 O ATOM 57 CB LEU A 4 -12.280 -4.343 0.966 1.00 0.00 C ATOM 58 CG LEU A 4 -11.669 -3.491 2.078 1.00 0.00 C ATOM 59 CD1 LEU A 4 -11.605 -2.033 1.650 1.00 0.00 C ATOM 60 CD2 LEU A 4 -12.471 -3.639 3.365 1.00 0.00 C ATOM 0 H LEU A 4 -12.025 -7.064 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.791 -5.861 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.020 -3.898 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.366 -4.301 1.054 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.654 -3.840 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.168 -1.437 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.990 -1.943 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.611 -1.672 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.022 -3.026 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.497 -3.314 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.468 -4.683 3.677 1.00 0.00 H new ATOM 72 N ASP A 5 -11.026 -7.163 2.794 1.00 0.00 N ATOM 73 CA ASP A 5 -11.088 -7.813 4.098 1.00 0.00 C ATOM 74 C ASP A 5 -11.242 -6.774 5.204 1.00 0.00 C ATOM 75 O ASP A 5 -10.700 -5.674 5.107 1.00 0.00 O ATOM 76 CB ASP A 5 -9.831 -8.654 4.340 1.00 0.00 C ATOM 77 CG ASP A 5 -9.432 -9.465 3.122 1.00 0.00 C ATOM 78 OD1 ASP A 5 -10.299 -9.703 2.256 1.00 0.00 O ATOM 79 OD2 ASP A 5 -8.251 -9.863 3.035 1.00 0.00 O ATOM 0 H ASP A 5 -10.155 -7.317 2.285 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.957 -8.471 4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.007 -7.998 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.004 -9.327 5.180 1.00 0.00 H new ATOM 84 N PRO A 6 -11.988 -7.105 6.272 1.00 0.00 N ATOM 85 CA PRO A 6 -12.213 -6.185 7.395 1.00 0.00 C ATOM 86 C PRO A 6 -10.941 -5.913 8.196 1.00 0.00 C ATOM 87 O PRO A 6 -10.897 -6.143 9.403 1.00 0.00 O ATOM 88 CB PRO A 6 -13.244 -6.919 8.258 1.00 0.00 C ATOM 89 CG PRO A 6 -13.069 -8.358 7.918 1.00 0.00 C ATOM 90 CD PRO A 6 -12.674 -8.395 6.469 1.00 0.00 C ATOM 0 HA PRO A 6 -12.544 -5.204 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.071 -6.739 9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.257 -6.581 8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.303 -8.816 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.992 -8.914 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.017 -9.237 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.542 -8.493 5.818 1.00 0.00 H new ATOM 98 N VAL A 7 -9.912 -5.413 7.513 1.00 0.00 N ATOM 99 CA VAL A 7 -8.638 -5.097 8.152 1.00 0.00 C ATOM 100 C VAL A 7 -7.604 -4.670 7.116 1.00 0.00 C ATOM 101 O VAL A 7 -6.970 -3.624 7.256 1.00 0.00 O ATOM 102 CB VAL A 7 -8.067 -6.284 8.962 1.00 0.00 C ATOM 103 CG1 VAL A 7 -8.438 -6.160 10.433 1.00 0.00 C ATOM 104 CG2 VAL A 7 -8.540 -7.617 8.394 1.00 0.00 C ATOM 0 H VAL A 7 -9.938 -5.218 6.512 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.841 -4.278 8.842 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.981 -6.254 8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.026 -7.005 10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.031 -5.232 10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.523 -6.154 10.535 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.122 -8.433 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.628 -7.663 8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.208 -7.710 7.360 1.00 0.00 H new ATOM 114 N GLN A 8 -7.437 -5.482 6.074 1.00 0.00 N ATOM 115 CA GLN A 8 -6.478 -5.180 5.015 1.00 0.00 C ATOM 116 C GLN A 8 -6.635 -3.738 4.543 1.00 0.00 C ATOM 117 O GLN A 8 -5.666 -3.095 4.143 1.00 0.00 O ATOM 118 CB GLN A 8 -6.656 -6.143 3.838 1.00 0.00 C ATOM 119 CG GLN A 8 -7.939 -5.923 3.049 1.00 0.00 C ATOM 120 CD GLN A 8 -7.898 -6.571 1.678 1.00 0.00 C ATOM 121 OE1 GLN A 8 -8.364 -5.996 0.694 1.00 0.00 O ATOM 122 NE2 GLN A 8 -7.341 -7.774 1.608 1.00 0.00 N ATOM 0 H GLN A 8 -7.952 -6.352 5.941 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.474 -5.306 5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.805 -6.040 3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.643 -7.166 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.781 -6.325 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.113 -4.853 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.968 -8.213 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.286 -8.259 0.713 1.00 0.00 H new ATOM 131 N LYS A 9 -7.866 -3.239 4.602 1.00 0.00 N ATOM 132 CA LYS A 9 -8.154 -1.872 4.188 1.00 0.00 C ATOM 133 C LYS A 9 -7.310 -0.888 4.987 1.00 0.00 C ATOM 134 O LYS A 9 -6.685 0.010 4.425 1.00 0.00 O ATOM 135 CB LYS A 9 -9.641 -1.561 4.371 1.00 0.00 C ATOM 136 CG LYS A 9 -10.173 -1.904 5.753 1.00 0.00 C ATOM 137 CD LYS A 9 -10.269 -0.671 6.638 1.00 0.00 C ATOM 138 CE LYS A 9 -10.177 -1.033 8.111 1.00 0.00 C ATOM 139 NZ LYS A 9 -11.495 -1.461 8.661 1.00 0.00 N ATOM 0 H LYS A 9 -8.678 -3.761 4.932 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.904 -1.771 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.807 -0.501 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.213 -2.112 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.157 -2.364 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.520 -2.640 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.469 0.024 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.211 -0.157 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.451 -1.835 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.810 -0.175 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.390 -1.699 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.182 -0.687 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.834 -2.296 8.141 1.00 0.00 H new ATOM 153 N LEU A 10 -7.280 -1.074 6.303 1.00 0.00 N ATOM 154 CA LEU A 10 -6.493 -0.212 7.173 1.00 0.00 C ATOM 155 C LEU A 10 -5.012 -0.342 6.825 1.00 0.00 C ATOM 156 O LEU A 10 -4.239 0.604 6.968 1.00 0.00 O ATOM 157 CB LEU A 10 -6.735 -0.574 8.645 1.00 0.00 C ATOM 158 CG LEU A 10 -5.886 -1.727 9.190 1.00 0.00 C ATOM 159 CD1 LEU A 10 -4.668 -1.191 9.927 1.00 0.00 C ATOM 160 CD2 LEU A 10 -6.716 -2.615 10.105 1.00 0.00 C ATOM 0 H LEU A 10 -7.791 -1.812 6.788 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.801 0.823 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.548 0.311 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.787 -0.830 8.770 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.541 -2.328 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.077 -2.024 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.061 -0.598 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.992 -0.567 10.760 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.096 -3.428 10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.091 -2.026 10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.556 -3.028 9.547 1.00 0.00 H new ATOM 172 N PHE A 11 -4.638 -1.529 6.356 1.00 0.00 N ATOM 173 CA PHE A 11 -3.264 -1.810 5.968 1.00 0.00 C ATOM 174 C PHE A 11 -2.842 -0.924 4.807 1.00 0.00 C ATOM 175 O PHE A 11 -1.812 -0.253 4.869 1.00 0.00 O ATOM 176 CB PHE A 11 -3.129 -3.281 5.572 1.00 0.00 C ATOM 177 CG PHE A 11 -1.767 -3.858 5.820 1.00 0.00 C ATOM 178 CD1 PHE A 11 -0.662 -3.386 5.130 1.00 0.00 C ATOM 179 CD2 PHE A 11 -1.594 -4.878 6.740 1.00 0.00 C ATOM 180 CE1 PHE A 11 0.592 -3.923 5.355 1.00 0.00 C ATOM 181 CE2 PHE A 11 -0.344 -5.418 6.970 1.00 0.00 C ATOM 182 CZ PHE A 11 0.751 -4.941 6.276 1.00 0.00 C ATOM 0 H PHE A 11 -5.275 -2.316 6.236 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.614 -1.601 6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.865 -3.864 6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.369 -3.385 4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.781 -2.591 4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.447 -5.256 7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.446 -3.547 4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.223 -6.212 7.692 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.729 -5.363 6.453 1.00 0.00 H new ATOM 192 N VAL A 12 -3.646 -0.922 3.749 1.00 0.00 N ATOM 193 CA VAL A 12 -3.352 -0.112 2.576 1.00 0.00 C ATOM 194 C VAL A 12 -3.145 1.350 2.961 1.00 0.00 C ATOM 195 O VAL A 12 -2.468 2.099 2.256 1.00 0.00 O ATOM 196 CB VAL A 12 -4.473 -0.229 1.515 1.00 0.00 C ATOM 197 CG1 VAL A 12 -5.658 0.668 1.853 1.00 0.00 C ATOM 198 CG2 VAL A 12 -3.927 0.091 0.133 1.00 0.00 C ATOM 0 H VAL A 12 -4.503 -1.471 3.681 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.428 -0.493 2.140 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.833 -1.258 1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.426 0.560 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.068 0.380 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.329 1.706 1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.726 0.005 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.533 1.107 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.129 -0.609 -0.114 1.00 0.00 H new ATOM 208 N ASP A 13 -3.726 1.747 4.090 1.00 0.00 N ATOM 209 CA ASP A 13 -3.596 3.115 4.573 1.00 0.00 C ATOM 210 C ASP A 13 -2.458 3.236 5.583 1.00 0.00 C ATOM 211 O ASP A 13 -2.309 4.265 6.240 1.00 0.00 O ATOM 212 CB ASP A 13 -4.908 3.588 5.202 1.00 0.00 C ATOM 213 CG ASP A 13 -5.980 3.859 4.165 1.00 0.00 C ATOM 214 OD1 ASP A 13 -5.861 3.339 3.036 1.00 0.00 O ATOM 215 OD2 ASP A 13 -6.940 4.593 4.482 1.00 0.00 O ATOM 0 H ASP A 13 -4.290 1.141 4.685 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.364 3.750 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.266 2.833 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.726 4.495 5.778 1.00 0.00 H new ATOM 220 N LYS A 14 -1.641 2.189 5.683 1.00 0.00 N ATOM 221 CA LYS A 14 -0.505 2.195 6.586 1.00 0.00 C ATOM 222 C LYS A 14 0.757 2.048 5.775 1.00 0.00 C ATOM 223 O LYS A 14 1.774 2.681 6.061 1.00 0.00 O ATOM 224 CB LYS A 14 -0.616 1.070 7.618 1.00 0.00 C ATOM 225 CG LYS A 14 -1.638 1.342 8.709 1.00 0.00 C ATOM 226 CD LYS A 14 -1.203 0.747 10.039 1.00 0.00 C ATOM 227 CE LYS A 14 0.045 1.430 10.572 1.00 0.00 C ATOM 228 NZ LYS A 14 0.183 1.266 12.046 1.00 0.00 N ATOM 0 H LYS A 14 -1.750 1.328 5.147 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.485 3.137 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.881 0.144 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.360 0.912 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.778 2.417 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.602 0.923 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.011 0.845 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.012 -0.319 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.924 1.017 10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.010 2.491 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.063 2.159 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.456 0.513 12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.165 1.011 12.277 1.00 0.00 H new ATOM 242 N ILE A 15 0.674 1.242 4.727 1.00 0.00 N ATOM 243 CA ILE A 15 1.802 1.065 3.851 1.00 0.00 C ATOM 244 C ILE A 15 1.890 2.251 2.894 1.00 0.00 C ATOM 245 O ILE A 15 2.889 2.450 2.206 1.00 0.00 O ATOM 246 CB ILE A 15 1.747 -0.256 3.063 1.00 0.00 C ATOM 247 CG1 ILE A 15 0.340 -0.540 2.552 1.00 0.00 C ATOM 248 CG2 ILE A 15 2.237 -1.404 3.929 1.00 0.00 C ATOM 249 CD1 ILE A 15 0.311 -1.687 1.579 1.00 0.00 C ATOM 0 H ILE A 15 -0.157 0.709 4.472 1.00 0.00 H new ATOM 0 HA ILE A 15 2.696 1.016 4.473 1.00 0.00 H new ATOM 0 HB ILE A 15 2.402 -0.159 2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.313 -0.764 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.057 0.353 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.193 -2.333 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.265 -1.215 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.604 -1.489 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.712 -1.852 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.942 -1.453 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.682 -2.588 2.067 1.00 0.00 H new ATOM 261 N ARG A 16 0.855 3.078 2.884 1.00 0.00 N ATOM 262 CA ARG A 16 0.874 4.260 2.054 1.00 0.00 C ATOM 263 C ARG A 16 1.446 5.416 2.863 1.00 0.00 C ATOM 264 O ARG A 16 1.519 6.547 2.385 1.00 0.00 O ATOM 265 CB ARG A 16 -0.527 4.597 1.536 1.00 0.00 C ATOM 266 CG ARG A 16 -1.458 5.155 2.603 1.00 0.00 C ATOM 267 CD ARG A 16 -2.831 5.473 2.031 1.00 0.00 C ATOM 268 NE ARG A 16 -2.789 6.598 1.102 1.00 0.00 N ATOM 269 CZ ARG A 16 -3.873 7.178 0.591 1.00 0.00 C ATOM 270 NH1 ARG A 16 -5.084 6.742 0.916 1.00 0.00 N ATOM 271 NH2 ARG A 16 -3.747 8.197 -0.249 1.00 0.00 N ATOM 0 H ARG A 16 0.006 2.951 3.435 1.00 0.00 H new ATOM 0 HA ARG A 16 1.502 4.077 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.440 5.322 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.973 3.698 1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.558 4.433 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.023 6.058 3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.223 4.594 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.519 5.701 2.845 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.876 6.961 0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.188 5.958 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.911 7.191 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.819 8.536 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.578 8.641 -0.640 1.00 0.00 H new ATOM 285 N GLU A 17 1.847 5.114 4.105 1.00 0.00 N ATOM 286 CA GLU A 17 2.411 6.115 4.991 1.00 0.00 C ATOM 287 C GLU A 17 3.910 5.891 5.200 1.00 0.00 C ATOM 288 O GLU A 17 4.645 6.824 5.525 1.00 0.00 O ATOM 289 CB GLU A 17 1.660 6.092 6.325 1.00 0.00 C ATOM 290 CG GLU A 17 2.554 5.947 7.550 1.00 0.00 C ATOM 291 CD GLU A 17 1.796 6.128 8.851 1.00 0.00 C ATOM 292 OE1 GLU A 17 0.886 6.982 8.894 1.00 0.00 O ATOM 293 OE2 GLU A 17 2.112 5.414 9.825 1.00 0.00 O ATOM 0 H GLU A 17 1.787 4.180 4.510 1.00 0.00 H new ATOM 0 HA GLU A 17 2.295 7.097 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.083 7.012 6.419 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.946 5.268 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.021 4.962 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.358 6.681 7.497 1.00 0.00 H new ATOM 300 N TYR A 18 4.356 4.664 4.996 1.00 0.00 N ATOM 301 CA TYR A 18 5.768 4.331 5.143 1.00 0.00 C ATOM 302 C TYR A 18 6.449 4.323 3.773 1.00 0.00 C ATOM 303 O TYR A 18 7.646 4.585 3.665 1.00 0.00 O ATOM 304 CB TYR A 18 5.927 2.962 5.821 1.00 0.00 C ATOM 305 CG TYR A 18 5.828 1.831 4.837 1.00 0.00 C ATOM 306 CD1 TYR A 18 4.753 1.773 3.987 1.00 0.00 C ATOM 307 CD2 TYR A 18 6.808 0.856 4.727 1.00 0.00 C ATOM 308 CE1 TYR A 18 4.629 0.795 3.056 1.00 0.00 C ATOM 309 CE2 TYR A 18 6.699 -0.148 3.781 1.00 0.00 C ATOM 310 CZ TYR A 18 5.603 -0.172 2.942 1.00 0.00 C ATOM 311 OH TYR A 18 5.481 -1.165 1.997 1.00 0.00 O ATOM 0 H TYR A 18 3.763 3.879 4.728 1.00 0.00 H new ATOM 0 HA TYR A 18 6.242 5.086 5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.891 2.918 6.328 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.159 2.845 6.586 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.984 2.527 4.061 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.664 0.880 5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.768 0.774 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.464 -0.906 3.700 1.00 0.00 H new ATOM 0 HH TYR A 18 6.255 -1.764 2.050 1.00 0.00 H new ATOM 321 N ARG A 19 5.673 4.032 2.726 1.00 0.00 N ATOM 322 CA ARG A 19 6.203 4.009 1.370 1.00 0.00 C ATOM 323 C ARG A 19 6.227 5.423 0.827 1.00 0.00 C ATOM 324 O ARG A 19 7.092 5.791 0.031 1.00 0.00 O ATOM 325 CB ARG A 19 5.352 3.110 0.472 1.00 0.00 C ATOM 326 CG ARG A 19 6.123 2.508 -0.692 1.00 0.00 C ATOM 327 CD ARG A 19 5.718 1.065 -0.944 1.00 0.00 C ATOM 328 NE ARG A 19 6.858 0.237 -1.334 1.00 0.00 N ATOM 329 CZ ARG A 19 7.480 0.336 -2.506 1.00 0.00 C ATOM 330 NH1 ARG A 19 7.077 1.224 -3.406 1.00 0.00 N ATOM 331 NH2 ARG A 19 8.508 -0.455 -2.780 1.00 0.00 N ATOM 0 H ARG A 19 4.680 3.810 2.796 1.00 0.00 H new ATOM 0 HA ARG A 19 7.215 3.605 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.931 2.304 1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.514 3.688 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.946 3.099 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.192 2.556 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.262 0.654 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.961 1.032 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 19 7.197 -0.458 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.287 1.835 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.558 1.295 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.822 -1.140 -2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.985 -0.379 -3.679 1.00 0.00 H new ATOM 345 N THR A 20 5.274 6.219 1.293 1.00 0.00 N ATOM 346 CA THR A 20 5.168 7.612 0.902 1.00 0.00 C ATOM 347 C THR A 20 6.455 8.350 1.253 1.00 0.00 C ATOM 348 O THR A 20 6.926 9.197 0.495 1.00 0.00 O ATOM 349 CB THR A 20 3.990 8.245 1.635 1.00 0.00 C ATOM 350 OG1 THR A 20 4.123 9.653 1.703 1.00 0.00 O ATOM 351 CG2 THR A 20 3.855 7.721 3.037 1.00 0.00 C ATOM 0 H THR A 20 4.556 5.915 1.951 1.00 0.00 H new ATOM 0 HA THR A 20 5.009 7.679 -0.174 1.00 0.00 H new ATOM 0 HB THR A 20 3.101 7.981 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.808 10.052 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.004 8.198 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.699 6.643 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.764 7.942 3.597 1.00 0.00 H new ATOM 359 N LYS A 21 7.023 8.017 2.412 1.00 0.00 N ATOM 360 CA LYS A 21 8.258 8.646 2.862 1.00 0.00 C ATOM 361 C LYS A 21 9.367 8.470 1.827 1.00 0.00 C ATOM 362 O LYS A 21 10.298 9.271 1.759 1.00 0.00 O ATOM 363 CB LYS A 21 8.694 8.055 4.204 1.00 0.00 C ATOM 364 CG LYS A 21 9.212 9.093 5.186 1.00 0.00 C ATOM 365 CD LYS A 21 8.745 8.803 6.604 1.00 0.00 C ATOM 366 CE LYS A 21 7.228 8.837 6.708 1.00 0.00 C ATOM 367 NZ LYS A 21 6.773 9.431 7.994 1.00 0.00 N ATOM 0 H LYS A 21 6.647 7.318 3.052 1.00 0.00 H new ATOM 0 HA LYS A 21 8.071 9.713 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.850 7.532 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.472 7.312 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.301 9.110 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.869 10.083 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.110 7.825 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.174 9.536 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.820 9.413 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.835 7.824 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.733 9.436 8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.141 8.867 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.126 10.406 8.070 1.00 0.00 H new ATOM 381 N ARG A 22 9.255 7.417 1.022 1.00 0.00 N ATOM 382 CA ARG A 22 10.244 7.137 -0.011 1.00 0.00 C ATOM 383 C ARG A 22 9.658 7.365 -1.402 1.00 0.00 C ATOM 384 O ARG A 22 10.111 6.772 -2.381 1.00 0.00 O ATOM 385 CB ARG A 22 10.746 5.696 0.112 1.00 0.00 C ATOM 386 CG ARG A 22 11.021 5.266 1.544 1.00 0.00 C ATOM 387 CD ARG A 22 11.258 3.768 1.639 1.00 0.00 C ATOM 388 NE ARG A 22 12.681 3.438 1.645 1.00 0.00 N ATOM 389 CZ ARG A 22 13.159 2.218 1.884 1.00 0.00 C ATOM 390 NH1 ARG A 22 12.332 1.211 2.136 1.00 0.00 N ATOM 391 NH2 ARG A 22 14.468 2.004 1.870 1.00 0.00 N ATOM 0 H ARG A 22 8.489 6.745 1.066 1.00 0.00 H new ATOM 0 HA ARG A 22 11.081 7.821 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.007 5.024 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.660 5.587 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.893 5.798 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.178 5.543 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.793 3.384 2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.774 3.270 0.799 1.00 0.00 H new ATOM 0 HE ARG A 22 13.348 4.186 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.324 1.369 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.704 0.279 2.318 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.109 2.774 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.834 1.070 2.053 1.00 0.00 H new ATOM 405 N GLN A 23 8.646 8.225 -1.482 1.00 0.00 N ATOM 406 CA GLN A 23 7.999 8.525 -2.755 1.00 0.00 C ATOM 407 C GLN A 23 8.759 9.610 -3.516 1.00 0.00 C ATOM 408 O GLN A 23 8.736 9.651 -4.746 1.00 0.00 O ATOM 409 CB GLN A 23 6.543 8.952 -2.522 1.00 0.00 C ATOM 410 CG GLN A 23 6.370 10.428 -2.185 1.00 0.00 C ATOM 411 CD GLN A 23 5.331 10.668 -1.104 1.00 0.00 C ATOM 412 OE1 GLN A 23 4.269 9.871 -1.111 1.00 0.00 O flip ATOM 413 NE2 GLN A 23 5.484 11.562 -0.271 1.00 0.00 N flip ATOM 0 H GLN A 23 8.257 8.725 -0.682 1.00 0.00 H new ATOM 0 HA GLN A 23 8.008 7.620 -3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.962 8.725 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.127 8.355 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.327 10.836 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.082 10.970 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.316 12.152 -0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.779 11.713 0.450 1.00 0.00 H new ATOM 422 N THR A 24 9.431 10.487 -2.776 1.00 0.00 N ATOM 423 CA THR A 24 10.195 11.572 -3.381 1.00 0.00 C ATOM 424 C THR A 24 11.418 11.036 -4.118 1.00 0.00 C ATOM 425 O THR A 24 11.553 11.213 -5.329 1.00 0.00 O ATOM 426 CB THR A 24 10.630 12.575 -2.312 1.00 0.00 C ATOM 427 OG1 THR A 24 11.387 11.934 -1.301 1.00 0.00 O ATOM 428 CG2 THR A 24 9.468 13.275 -1.641 1.00 0.00 C ATOM 0 H THR A 24 9.462 10.467 -1.757 1.00 0.00 H new ATOM 0 HA THR A 24 9.551 12.075 -4.103 1.00 0.00 H new ATOM 0 HB THR A 24 11.227 13.319 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.657 12.593 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.846 13.973 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.891 13.821 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.828 12.537 -1.157 1.00 0.00 H new ATOM 436 N SER A 25 12.308 10.380 -3.380 1.00 0.00 N ATOM 437 CA SER A 25 13.522 9.820 -3.964 1.00 0.00 C ATOM 438 C SER A 25 13.253 8.446 -4.567 1.00 0.00 C ATOM 439 O SER A 25 12.741 7.550 -3.896 1.00 0.00 O ATOM 440 CB SER A 25 14.622 9.720 -2.906 1.00 0.00 C ATOM 441 OG SER A 25 14.070 9.568 -1.609 1.00 0.00 O ATOM 0 H SER A 25 12.211 10.223 -2.377 1.00 0.00 H new ATOM 0 HA SER A 25 13.853 10.487 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.271 8.873 -3.130 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.244 10.615 -2.938 1.00 0.00 H new ATOM 0 HG SER A 25 14.793 9.505 -0.951 1.00 0.00 H new ATOM 447 N GLY A 26 13.606 8.285 -5.839 1.00 0.00 N ATOM 448 CA GLY A 26 13.398 7.017 -6.513 1.00 0.00 C ATOM 449 C GLY A 26 11.941 6.595 -6.523 1.00 0.00 C ATOM 450 O GLY A 26 11.452 6.005 -5.560 1.00 0.00 O ATOM 0 H GLY A 26 14.033 9.011 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.758 7.092 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.992 6.247 -6.022 1.00 0.00 H new ATOM 454 N GLY A 27 11.248 6.899 -7.615 1.00 0.00 N ATOM 455 CA GLY A 27 9.846 6.539 -7.726 1.00 0.00 C ATOM 456 C GLY A 27 9.445 6.193 -9.149 1.00 0.00 C ATOM 457 O GLY A 27 9.843 6.880 -10.090 1.00 0.00 O ATOM 0 H GLY A 27 11.631 7.388 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.640 5.688 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.232 7.367 -7.370 1.00 0.00 H new ATOM 461 N PRO A 28 8.650 5.124 -9.342 1.00 0.00 N ATOM 462 CA PRO A 28 8.205 4.703 -10.676 1.00 0.00 C ATOM 463 C PRO A 28 7.391 5.787 -11.383 1.00 0.00 C ATOM 464 O PRO A 28 7.897 6.476 -12.268 1.00 0.00 O ATOM 465 CB PRO A 28 7.335 3.468 -10.399 1.00 0.00 C ATOM 466 CG PRO A 28 6.977 3.552 -8.954 1.00 0.00 C ATOM 467 CD PRO A 28 8.127 4.245 -8.284 1.00 0.00 C ATOM 0 HA PRO A 28 9.046 4.500 -11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.443 3.467 -11.025 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.878 2.548 -10.616 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.050 4.108 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.820 2.559 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.803 4.813 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.880 3.536 -7.940 1.00 0.00 H new ATOM 475 N VAL A 29 6.133 5.936 -10.980 1.00 0.00 N ATOM 476 CA VAL A 29 5.251 6.936 -11.568 1.00 0.00 C ATOM 477 C VAL A 29 5.715 8.342 -11.211 1.00 0.00 C ATOM 478 O VAL A 29 6.533 8.519 -10.309 1.00 0.00 O ATOM 479 CB VAL A 29 3.798 6.738 -11.085 1.00 0.00 C ATOM 480 CG1 VAL A 29 3.720 6.855 -9.572 1.00 0.00 C ATOM 481 CG2 VAL A 29 2.856 7.732 -11.749 1.00 0.00 C ATOM 0 H VAL A 29 5.701 5.374 -10.246 1.00 0.00 H new ATOM 0 HA VAL A 29 5.287 6.812 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 29 3.482 5.735 -11.373 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.689 6.713 -9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.352 6.093 -9.115 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.063 7.843 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.841 7.567 -11.389 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.168 8.748 -11.505 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.884 7.594 -12.830 1.00 0.00 H new ATOM 491 N ASP A 30 5.185 9.344 -11.920 1.00 0.00 N ATOM 492 CA ASP A 30 5.539 10.740 -11.668 1.00 0.00 C ATOM 493 C ASP A 30 5.665 11.003 -10.172 1.00 0.00 C ATOM 494 O ASP A 30 6.469 11.828 -9.738 1.00 0.00 O ATOM 495 CB ASP A 30 4.491 11.673 -12.279 1.00 0.00 C ATOM 496 CG ASP A 30 4.847 13.137 -12.110 1.00 0.00 C ATOM 497 OD1 ASP A 30 5.937 13.427 -11.573 1.00 0.00 O ATOM 498 OD2 ASP A 30 4.035 13.995 -12.515 1.00 0.00 O ATOM 0 H ASP A 30 4.509 9.212 -12.673 1.00 0.00 H new ATOM 0 HA ASP A 30 6.503 10.937 -12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.384 11.449 -13.340 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.524 11.482 -11.814 1.00 0.00 H new ATOM 503 N ALA A 31 4.872 10.280 -9.388 1.00 0.00 N ATOM 504 CA ALA A 31 4.900 10.414 -7.941 1.00 0.00 C ATOM 505 C ALA A 31 4.483 11.814 -7.516 1.00 0.00 C ATOM 506 O ALA A 31 5.146 12.454 -6.700 1.00 0.00 O ATOM 507 CB ALA A 31 6.289 10.077 -7.422 1.00 0.00 C ATOM 0 H ALA A 31 4.201 9.594 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 31 4.185 9.714 -7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.306 10.178 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.541 9.052 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.017 10.759 -7.862 1.00 0.00 H new ATOM 513 N GLY A 32 3.375 12.284 -8.081 1.00 0.00 N ATOM 514 CA GLY A 32 2.883 13.606 -7.753 1.00 0.00 C ATOM 515 C GLY A 32 1.438 13.819 -8.168 1.00 0.00 C ATOM 516 O GLY A 32 0.580 14.064 -7.321 1.00 0.00 O ATOM 0 H GLY A 32 2.811 11.772 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.974 13.766 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.510 14.353 -8.241 1.00 0.00 H new ATOM 520 N PRO A 33 1.135 13.754 -9.478 1.00 0.00 N ATOM 521 CA PRO A 33 -0.224 13.967 -9.982 1.00 0.00 C ATOM 522 C PRO A 33 -1.170 12.816 -9.691 1.00 0.00 C ATOM 523 O PRO A 33 -1.394 11.943 -10.530 1.00 0.00 O ATOM 524 CB PRO A 33 -0.023 14.138 -11.487 1.00 0.00 C ATOM 525 CG PRO A 33 1.217 13.370 -11.789 1.00 0.00 C ATOM 526 CD PRO A 33 2.094 13.493 -10.570 1.00 0.00 C ATOM 0 HA PRO A 33 -0.695 14.822 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.875 13.752 -12.047 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.086 15.189 -11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.987 12.326 -11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.718 13.770 -12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.665 12.581 -10.393 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.814 14.305 -10.674 1.00 0.00 H new ATOM 534 N GLU A 34 -1.729 12.840 -8.489 1.00 0.00 N ATOM 535 CA GLU A 34 -2.670 11.825 -8.039 1.00 0.00 C ATOM 536 C GLU A 34 -2.206 10.429 -8.418 1.00 0.00 C ATOM 537 O GLU A 34 -3.011 9.509 -8.567 1.00 0.00 O ATOM 538 CB GLU A 34 -4.065 12.092 -8.603 1.00 0.00 C ATOM 539 CG GLU A 34 -4.581 13.492 -8.311 1.00 0.00 C ATOM 540 CD GLU A 34 -5.367 13.566 -7.016 1.00 0.00 C ATOM 541 OE1 GLU A 34 -6.222 12.684 -6.791 1.00 0.00 O ATOM 542 OE2 GLU A 34 -5.127 14.505 -6.228 1.00 0.00 O ATOM 0 H GLU A 34 -1.542 13.566 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.716 11.880 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.047 11.938 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.761 11.363 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.739 14.182 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.214 13.821 -9.135 1.00 0.00 H new ATOM 549 N TYR A 35 -0.898 10.274 -8.520 1.00 0.00 N ATOM 550 CA TYR A 35 -0.298 8.988 -8.821 1.00 0.00 C ATOM 551 C TYR A 35 -0.612 8.011 -7.694 1.00 0.00 C ATOM 552 O TYR A 35 -0.316 6.828 -7.794 1.00 0.00 O ATOM 553 CB TYR A 35 1.212 9.144 -8.906 1.00 0.00 C ATOM 554 CG TYR A 35 1.801 9.220 -7.528 1.00 0.00 C ATOM 555 CD1 TYR A 35 1.697 10.384 -6.784 1.00 0.00 C ATOM 556 CD2 TYR A 35 2.391 8.113 -6.944 1.00 0.00 C ATOM 557 CE1 TYR A 35 2.178 10.449 -5.499 1.00 0.00 C ATOM 558 CE2 TYR A 35 2.870 8.161 -5.656 1.00 0.00 C ATOM 559 CZ TYR A 35 2.764 9.334 -4.932 1.00 0.00 C ATOM 560 OH TYR A 35 3.241 9.389 -3.642 1.00 0.00 O ATOM 0 H TYR A 35 -0.226 11.031 -8.397 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.694 8.618 -9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.642 8.302 -9.448 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.461 10.045 -9.467 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.230 11.254 -7.221 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.477 7.197 -7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.098 11.367 -4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.326 7.288 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 35 2.496 9.288 -3.013 1.00 0.00 H new ATOM 570 N GLN A 36 -1.187 8.535 -6.605 1.00 0.00 N ATOM 571 CA GLN A 36 -1.525 7.724 -5.433 1.00 0.00 C ATOM 572 C GLN A 36 -2.083 6.369 -5.847 1.00 0.00 C ATOM 573 O GLN A 36 -1.913 5.372 -5.145 1.00 0.00 O ATOM 574 CB GLN A 36 -2.539 8.459 -4.555 1.00 0.00 C ATOM 575 CG GLN A 36 -2.081 9.841 -4.119 1.00 0.00 C ATOM 576 CD GLN A 36 -0.716 9.822 -3.458 1.00 0.00 C ATOM 577 OE1 GLN A 36 0.051 10.888 -3.654 1.00 0.00 O flip ATOM 578 NE2 GLN A 36 -0.355 8.860 -2.779 1.00 0.00 N flip ATOM 0 H GLN A 36 -1.428 9.522 -6.513 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.611 7.559 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.478 8.552 -5.100 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.743 7.857 -3.669 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.051 10.500 -4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.811 10.259 -3.426 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.977 8.061 -2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.566 8.862 -2.341 1.00 0.00 H new ATOM 587 N GLN A 37 -2.743 6.345 -6.994 1.00 0.00 N ATOM 588 CA GLN A 37 -3.324 5.115 -7.514 1.00 0.00 C ATOM 589 C GLN A 37 -2.238 4.104 -7.881 1.00 0.00 C ATOM 590 O GLN A 37 -2.512 2.912 -8.010 1.00 0.00 O ATOM 591 CB GLN A 37 -4.196 5.412 -8.735 1.00 0.00 C ATOM 592 CG GLN A 37 -5.642 5.726 -8.388 1.00 0.00 C ATOM 593 CD GLN A 37 -5.808 7.101 -7.772 1.00 0.00 C ATOM 594 OE1 GLN A 37 -6.217 7.231 -6.617 1.00 0.00 O ATOM 595 NE2 GLN A 37 -5.492 8.136 -8.541 1.00 0.00 N ATOM 0 H GLN A 37 -2.890 7.164 -7.584 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.945 4.681 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.770 6.255 -9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.170 4.554 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.251 5.660 -9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.017 4.973 -7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.157 7.981 -9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.584 9.086 -8.181 1.00 0.00 H new ATOM 604 N ASP A 38 -1.003 4.580 -8.042 1.00 0.00 N ATOM 605 CA ASP A 38 0.107 3.701 -8.385 1.00 0.00 C ATOM 606 C ASP A 38 0.713 3.100 -7.123 1.00 0.00 C ATOM 607 O ASP A 38 1.206 1.972 -7.135 1.00 0.00 O ATOM 608 CB ASP A 38 1.173 4.470 -9.170 1.00 0.00 C ATOM 609 CG ASP A 38 1.217 4.066 -10.630 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.434 4.629 -11.425 1.00 0.00 O ATOM 611 OD2 ASP A 38 2.032 3.188 -10.980 1.00 0.00 O ATOM 0 H ASP A 38 -0.750 5.563 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.270 2.893 -9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.974 5.539 -9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.150 4.296 -8.718 1.00 0.00 H new ATOM 616 N LEU A 39 0.659 3.858 -6.034 1.00 0.00 N ATOM 617 CA LEU A 39 1.191 3.400 -4.759 1.00 0.00 C ATOM 618 C LEU A 39 0.281 2.337 -4.158 1.00 0.00 C ATOM 619 O LEU A 39 0.752 1.350 -3.594 1.00 0.00 O ATOM 620 CB LEU A 39 1.341 4.574 -3.789 1.00 0.00 C ATOM 621 CG LEU A 39 2.746 5.170 -3.704 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.721 6.487 -2.944 1.00 0.00 C ATOM 623 CD2 LEU A 39 3.699 4.187 -3.040 1.00 0.00 C ATOM 0 H LEU A 39 0.252 4.793 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 39 2.175 2.964 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.647 5.361 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.043 4.243 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 39 3.101 5.365 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.730 6.897 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.068 7.192 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.347 6.317 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.695 4.626 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.347 3.963 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.738 3.267 -3.624 1.00 0.00 H new ATOM 635 N ASP A 40 -1.028 2.540 -4.291 1.00 0.00 N ATOM 636 CA ASP A 40 -2.001 1.592 -3.765 1.00 0.00 C ATOM 637 C ASP A 40 -1.836 0.234 -4.438 1.00 0.00 C ATOM 638 O ASP A 40 -2.022 -0.808 -3.811 1.00 0.00 O ATOM 639 CB ASP A 40 -3.424 2.114 -3.980 1.00 0.00 C ATOM 640 CG ASP A 40 -3.871 3.043 -2.870 1.00 0.00 C ATOM 641 OD1 ASP A 40 -3.360 4.182 -2.806 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.733 2.635 -2.064 1.00 0.00 O ATOM 0 H ASP A 40 -1.436 3.350 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.827 1.477 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.475 2.640 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.112 1.271 -4.044 1.00 0.00 H new ATOM 647 N ARG A 41 -1.473 0.256 -5.718 1.00 0.00 N ATOM 648 CA ARG A 41 -1.270 -0.973 -6.473 1.00 0.00 C ATOM 649 C ARG A 41 -0.090 -1.752 -5.903 1.00 0.00 C ATOM 650 O ARG A 41 -0.226 -2.916 -5.525 1.00 0.00 O ATOM 651 CB ARG A 41 -1.033 -0.652 -7.953 1.00 0.00 C ATOM 652 CG ARG A 41 -0.565 -1.842 -8.776 1.00 0.00 C ATOM 653 CD ARG A 41 0.944 -1.829 -8.962 1.00 0.00 C ATOM 654 NE ARG A 41 1.337 -2.292 -10.291 1.00 0.00 N ATOM 655 CZ ARG A 41 1.265 -1.542 -11.388 1.00 0.00 C ATOM 656 NH1 ARG A 41 0.817 -0.294 -11.321 1.00 0.00 N ATOM 657 NH2 ARG A 41 1.644 -2.041 -12.557 1.00 0.00 N ATOM 0 H ARG A 41 -1.314 1.111 -6.251 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.166 -1.588 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.957 -0.267 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.291 0.143 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.864 -2.767 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.053 -1.827 -9.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.320 -0.818 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.408 -2.462 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 41 1.687 -3.246 -10.383 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.525 0.096 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.765 0.275 -12.166 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.990 -2.999 -12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.589 -1.467 -13.398 1.00 0.00 H new ATOM 671 N GLU A 42 1.065 -1.097 -5.828 1.00 0.00 N ATOM 672 CA GLU A 42 2.261 -1.728 -5.285 1.00 0.00 C ATOM 673 C GLU A 42 2.052 -2.069 -3.815 1.00 0.00 C ATOM 674 O GLU A 42 2.621 -3.033 -3.300 1.00 0.00 O ATOM 675 CB GLU A 42 3.470 -0.804 -5.443 1.00 0.00 C ATOM 676 CG GLU A 42 4.213 -0.992 -6.756 1.00 0.00 C ATOM 677 CD GLU A 42 5.716 -0.862 -6.599 1.00 0.00 C ATOM 678 OE1 GLU A 42 6.172 0.190 -6.104 1.00 0.00 O ATOM 679 OE2 GLU A 42 6.436 -1.811 -6.971 1.00 0.00 O ATOM 0 H GLU A 42 1.197 -0.133 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 42 2.451 -2.648 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.137 0.231 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.160 -0.978 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.978 -1.975 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.861 -0.254 -7.477 1.00 0.00 H new ATOM 686 N LEU A 43 1.221 -1.274 -3.149 1.00 0.00 N ATOM 687 CA LEU A 43 0.917 -1.483 -1.739 1.00 0.00 C ATOM 688 C LEU A 43 -0.002 -2.683 -1.566 1.00 0.00 C ATOM 689 O LEU A 43 0.236 -3.548 -0.723 1.00 0.00 O ATOM 690 CB LEU A 43 0.254 -0.232 -1.157 1.00 0.00 C ATOM 691 CG LEU A 43 1.200 0.755 -0.470 1.00 0.00 C ATOM 692 CD1 LEU A 43 2.362 1.117 -1.383 1.00 0.00 C ATOM 693 CD2 LEU A 43 0.441 2.004 -0.050 1.00 0.00 C ATOM 0 H LEU A 43 0.744 -0.475 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 43 1.848 -1.676 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.266 0.289 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.503 -0.544 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 43 1.608 0.278 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.021 1.820 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.920 0.216 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.979 1.575 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.125 2.699 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.007 2.479 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.354 1.731 0.644 1.00 0.00 H new ATOM 705 N PHE A 44 -1.051 -2.734 -2.378 1.00 0.00 N ATOM 706 CA PHE A 44 -2.003 -3.832 -2.323 1.00 0.00 C ATOM 707 C PHE A 44 -1.326 -5.133 -2.745 1.00 0.00 C ATOM 708 O PHE A 44 -1.686 -6.213 -2.277 1.00 0.00 O ATOM 709 CB PHE A 44 -3.210 -3.522 -3.220 1.00 0.00 C ATOM 710 CG PHE A 44 -3.844 -4.731 -3.851 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.274 -5.791 -3.071 1.00 0.00 C ATOM 712 CD2 PHE A 44 -4.006 -4.802 -5.225 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.857 -6.902 -3.651 1.00 0.00 C ATOM 714 CE2 PHE A 44 -4.588 -5.909 -5.811 1.00 0.00 C ATOM 715 CZ PHE A 44 -5.014 -6.961 -5.024 1.00 0.00 C ATOM 0 H PHE A 44 -1.262 -2.027 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.359 -3.951 -1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.962 -3.000 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.895 -2.839 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.153 -5.749 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.673 -3.983 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.189 -7.723 -3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.710 -5.952 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.469 -7.828 -5.480 1.00 0.00 H new ATOM 725 N LYS A 45 -0.337 -5.018 -3.626 1.00 0.00 N ATOM 726 CA LYS A 45 0.397 -6.181 -4.102 1.00 0.00 C ATOM 727 C LYS A 45 1.158 -6.839 -2.957 1.00 0.00 C ATOM 728 O LYS A 45 1.345 -8.056 -2.942 1.00 0.00 O ATOM 729 CB LYS A 45 1.368 -5.779 -5.214 1.00 0.00 C ATOM 730 CG LYS A 45 1.522 -6.835 -6.297 1.00 0.00 C ATOM 731 CD LYS A 45 2.748 -6.575 -7.157 1.00 0.00 C ATOM 732 CE LYS A 45 2.526 -5.408 -8.106 1.00 0.00 C ATOM 733 NZ LYS A 45 1.613 -5.768 -9.226 1.00 0.00 N ATOM 0 H LYS A 45 -0.027 -4.131 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.320 -6.898 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.022 -4.851 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.345 -5.574 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.601 -7.820 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.631 -6.846 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.605 -6.367 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.988 -7.471 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.109 -4.566 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.484 -5.081 -8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.861 -5.211 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.709 -6.781 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.631 -5.563 -8.953 1.00 0.00 H new ATOM 747 N LEU A 46 1.591 -6.026 -1.995 1.00 0.00 N ATOM 748 CA LEU A 46 2.326 -6.532 -0.843 1.00 0.00 C ATOM 749 C LEU A 46 1.498 -7.561 -0.085 1.00 0.00 C ATOM 750 O LEU A 46 1.975 -8.653 0.224 1.00 0.00 O ATOM 751 CB LEU A 46 2.713 -5.382 0.089 1.00 0.00 C ATOM 752 CG LEU A 46 4.172 -4.940 -0.003 1.00 0.00 C ATOM 753 CD1 LEU A 46 4.481 -4.411 -1.393 1.00 0.00 C ATOM 754 CD2 LEU A 46 4.475 -3.888 1.050 1.00 0.00 C ATOM 0 H LEU A 46 1.445 -5.017 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 46 3.234 -7.015 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.075 -4.526 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.503 -5.680 1.116 1.00 0.00 H new ATOM 0 HG LEU A 46 4.808 -5.805 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.525 -4.101 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.302 -5.195 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.838 -3.557 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.519 -3.584 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.832 -3.022 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.292 -4.302 2.041 1.00 0.00 H new ATOM 766 N LYS A 47 0.252 -7.203 0.217 1.00 0.00 N ATOM 767 CA LYS A 47 -0.644 -8.094 0.946 1.00 0.00 C ATOM 768 C LYS A 47 -0.678 -9.481 0.312 1.00 0.00 C ATOM 769 O LYS A 47 -0.876 -10.484 0.998 1.00 0.00 O ATOM 770 CB LYS A 47 -2.056 -7.506 0.991 1.00 0.00 C ATOM 771 CG LYS A 47 -2.298 -6.598 2.187 1.00 0.00 C ATOM 772 CD LYS A 47 -2.043 -5.141 1.839 1.00 0.00 C ATOM 773 CE LYS A 47 -3.155 -4.572 0.973 1.00 0.00 C ATOM 774 NZ LYS A 47 -4.478 -4.635 1.655 1.00 0.00 N ATOM 0 H LYS A 47 -0.159 -6.303 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.264 -8.192 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.236 -6.943 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.780 -8.321 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.325 -6.716 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.648 -6.896 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.959 -4.556 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.091 -5.052 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.925 -3.537 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.204 -5.125 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.037 -3.794 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.985 -5.490 1.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.337 -4.665 2.685 1.00 0.00 H new ATOM 788 N GLN A 48 -0.483 -9.534 -1.003 1.00 0.00 N ATOM 789 CA GLN A 48 -0.489 -10.800 -1.723 1.00 0.00 C ATOM 790 C GLN A 48 0.828 -11.541 -1.521 1.00 0.00 C ATOM 791 O GLN A 48 0.854 -12.769 -1.441 1.00 0.00 O ATOM 792 CB GLN A 48 -0.735 -10.567 -3.215 1.00 0.00 C ATOM 793 CG GLN A 48 -2.168 -10.180 -3.540 1.00 0.00 C ATOM 794 CD GLN A 48 -2.470 -8.732 -3.210 1.00 0.00 C ATOM 795 OE1 GLN A 48 -2.312 -7.846 -4.050 1.00 0.00 O ATOM 796 NE2 GLN A 48 -2.909 -8.485 -1.981 1.00 0.00 N ATOM 0 H GLN A 48 -0.319 -8.715 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.298 -11.412 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.066 -9.782 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.479 -11.473 -3.763 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.356 -10.354 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.849 -10.825 -2.985 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.025 -9.251 -1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.130 -7.529 -1.701 1.00 0.00 H new ATOM 805 N MET A 49 1.916 -10.786 -1.429 1.00 0.00 N ATOM 806 CA MET A 49 3.235 -11.376 -1.223 1.00 0.00 C ATOM 807 C MET A 49 3.399 -11.794 0.230 1.00 0.00 C ATOM 808 O MET A 49 3.993 -12.830 0.528 1.00 0.00 O ATOM 809 CB MET A 49 4.347 -10.392 -1.611 1.00 0.00 C ATOM 810 CG MET A 49 3.927 -9.359 -2.643 1.00 0.00 C ATOM 811 SD MET A 49 5.331 -8.554 -3.435 1.00 0.00 S ATOM 812 CE MET A 49 5.004 -6.839 -3.035 1.00 0.00 C ATOM 0 H MET A 49 1.913 -9.768 -1.493 1.00 0.00 H new ATOM 0 HA MET A 49 3.316 -12.254 -1.863 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.690 -9.876 -0.714 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.196 -10.954 -2.000 1.00 0.00 H new ATOM 0 HG2 MET A 49 3.313 -9.841 -3.404 1.00 0.00 H new ATOM 0 HG3 MET A 49 3.305 -8.604 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.704 -6.200 -3.573 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.985 -6.586 -3.326 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.124 -6.686 -1.962 1.00 0.00 H new ATOM 822 N TYR A 50 2.861 -10.980 1.133 1.00 0.00 N ATOM 823 CA TYR A 50 2.940 -11.266 2.558 1.00 0.00 C ATOM 824 C TYR A 50 2.100 -12.490 2.909 1.00 0.00 C ATOM 825 O TYR A 50 2.413 -13.221 3.848 1.00 0.00 O ATOM 826 CB TYR A 50 2.473 -10.060 3.371 1.00 0.00 C ATOM 827 CG TYR A 50 3.523 -8.981 3.489 1.00 0.00 C ATOM 828 CD1 TYR A 50 4.619 -9.141 4.327 1.00 0.00 C ATOM 829 CD2 TYR A 50 3.422 -7.808 2.756 1.00 0.00 C ATOM 830 CE1 TYR A 50 5.585 -8.158 4.432 1.00 0.00 C ATOM 831 CE2 TYR A 50 4.382 -6.823 2.854 1.00 0.00 C ATOM 832 CZ TYR A 50 5.462 -7.001 3.693 1.00 0.00 C ATOM 833 OH TYR A 50 6.421 -6.020 3.792 1.00 0.00 O ATOM 0 H TYR A 50 2.366 -10.118 0.902 1.00 0.00 H new ATOM 0 HA TYR A 50 3.981 -11.476 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.580 -9.640 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.188 -10.391 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.718 -10.048 4.906 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.578 -7.664 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.431 -8.296 5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.288 -5.916 2.276 1.00 0.00 H new ATOM 0 HH TYR A 50 6.871 -6.088 4.660 1.00 0.00 H new ATOM 843 N GLY A 51 1.032 -12.709 2.145 1.00 0.00 N ATOM 844 CA GLY A 51 0.167 -13.847 2.392 1.00 0.00 C ATOM 845 C GLY A 51 0.846 -15.165 2.079 1.00 0.00 C ATOM 846 O GLY A 51 0.537 -16.191 2.686 1.00 0.00 O ATOM 0 H GLY A 51 0.752 -12.119 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.147 -13.842 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.735 -13.753 1.787 1.00 0.00 H new ATOM 850 N LYS A 52 1.774 -15.140 1.126 1.00 0.00 N ATOM 851 CA LYS A 52 2.500 -16.341 0.733 1.00 0.00 C ATOM 852 C LYS A 52 3.751 -16.523 1.585 1.00 0.00 C ATOM 853 O LYS A 52 4.187 -17.647 1.836 1.00 0.00 O ATOM 854 CB LYS A 52 2.881 -16.270 -0.746 1.00 0.00 C ATOM 855 CG LYS A 52 1.688 -16.330 -1.686 1.00 0.00 C ATOM 856 CD LYS A 52 1.931 -15.515 -2.946 1.00 0.00 C ATOM 857 CE LYS A 52 2.372 -16.397 -4.103 1.00 0.00 C ATOM 858 NZ LYS A 52 1.864 -15.895 -5.410 1.00 0.00 N ATOM 0 H LYS A 52 2.040 -14.300 0.612 1.00 0.00 H new ATOM 0 HA LYS A 52 1.847 -17.199 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.429 -15.346 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.557 -17.093 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.487 -17.367 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.801 -15.956 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.019 -14.984 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.693 -14.760 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.461 -16.443 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.014 -17.414 -3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.187 -16.524 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.824 -15.875 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.226 -14.934 -5.577 1.00 0.00 H new ATOM 872 N ALA A 53 4.327 -15.409 2.029 1.00 0.00 N ATOM 873 CA ALA A 53 5.528 -15.446 2.852 1.00 0.00 C ATOM 874 C ALA A 53 5.196 -15.820 4.293 1.00 0.00 C ATOM 875 O ALA A 53 5.451 -16.942 4.729 1.00 0.00 O ATOM 876 CB ALA A 53 6.242 -14.103 2.805 1.00 0.00 C ATOM 0 H ALA A 53 3.980 -14.470 1.832 1.00 0.00 H new ATOM 0 HA ALA A 53 6.190 -16.212 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.138 -14.145 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.523 -13.876 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.578 -13.324 3.180 1.00 0.00 H new ATOM 882 N ASP A 54 4.625 -14.871 5.029 1.00 0.00 N ATOM 883 CA ASP A 54 4.258 -15.101 6.421 1.00 0.00 C ATOM 884 C ASP A 54 3.503 -13.904 6.992 1.00 0.00 C ATOM 885 O ASP A 54 2.528 -14.066 7.726 1.00 0.00 O ATOM 886 CB ASP A 54 5.507 -15.379 7.260 1.00 0.00 C ATOM 887 CG ASP A 54 5.251 -16.393 8.359 1.00 0.00 C ATOM 888 OD1 ASP A 54 4.318 -17.209 8.208 1.00 0.00 O ATOM 889 OD2 ASP A 54 5.985 -16.370 9.370 1.00 0.00 O ATOM 0 H ASP A 54 4.407 -13.936 4.684 1.00 0.00 H new ATOM 0 HA ASP A 54 3.602 -15.971 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.303 -15.744 6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.858 -14.447 7.703 1.00 0.00 H new ATOM 894 N MET A 55 3.962 -12.704 6.651 1.00 0.00 N ATOM 895 CA MET A 55 3.330 -11.480 7.130 1.00 0.00 C ATOM 896 C MET A 55 3.407 -11.388 8.651 1.00 0.00 C ATOM 897 O MET A 55 2.435 -11.021 9.312 1.00 0.00 O ATOM 898 CB MET A 55 1.870 -11.422 6.674 1.00 0.00 C ATOM 899 CG MET A 55 1.293 -10.015 6.657 1.00 0.00 C ATOM 900 SD MET A 55 0.157 -9.711 8.025 1.00 0.00 S ATOM 901 CE MET A 55 -1.008 -11.052 7.800 1.00 0.00 C ATOM 0 H MET A 55 4.769 -12.553 6.045 1.00 0.00 H new ATOM 0 HA MET A 55 3.868 -10.632 6.706 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.793 -11.849 5.674 1.00 0.00 H new ATOM 0 HB3 MET A 55 1.267 -12.045 7.334 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.108 -9.292 6.699 1.00 0.00 H new ATOM 0 HG3 MET A 55 0.771 -9.852 5.714 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.008 -10.716 8.076 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.005 -11.365 6.756 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.721 -11.893 8.431 1.00 0.00 H new ATOM 911 N ASN A 56 4.570 -11.723 9.200 1.00 0.00 N ATOM 912 CA ASN A 56 4.776 -11.678 10.642 1.00 0.00 C ATOM 913 C ASN A 56 6.246 -11.889 10.985 1.00 0.00 C ATOM 914 O ASN A 56 6.576 -12.512 11.995 1.00 0.00 O ATOM 915 CB ASN A 56 3.920 -12.741 11.334 1.00 0.00 C ATOM 916 CG ASN A 56 3.771 -12.483 12.821 1.00 0.00 C ATOM 917 OD1 ASN A 56 2.643 -11.899 13.209 1.00 0.00 O flip ATOM 918 ND2 ASN A 56 4.657 -12.806 13.612 1.00 0.00 N flip ATOM 0 H ASN A 56 5.384 -12.029 8.667 1.00 0.00 H new ATOM 0 HA ASN A 56 4.475 -10.693 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.933 -12.767 10.872 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.370 -13.722 11.181 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.508 -13.253 13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.540 -12.627 14.609 1.00 0.00 H new ATOM 925 N THR A 57 7.127 -11.368 10.137 1.00 0.00 N ATOM 926 CA THR A 57 8.564 -11.499 10.349 1.00 0.00 C ATOM 927 C THR A 57 9.272 -10.167 10.131 1.00 0.00 C ATOM 928 O THR A 57 10.123 -9.768 10.926 1.00 0.00 O ATOM 929 CB THR A 57 9.143 -12.557 9.407 1.00 0.00 C ATOM 930 OG1 THR A 57 10.499 -12.821 9.721 1.00 0.00 O ATOM 931 CG2 THR A 57 9.078 -12.160 7.947 1.00 0.00 C ATOM 0 H THR A 57 6.871 -10.851 9.296 1.00 0.00 H new ATOM 0 HA THR A 57 8.727 -11.810 11.381 1.00 0.00 H new ATOM 0 HB THR A 57 8.524 -13.442 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.850 -13.501 9.109 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.505 -12.954 7.335 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.039 -11.999 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.643 -11.241 7.794 1.00 0.00 H new ATOM 939 N PHE A 58 8.920 -9.486 9.045 1.00 0.00 N ATOM 940 CA PHE A 58 9.523 -8.201 8.715 1.00 0.00 C ATOM 941 C PHE A 58 8.852 -7.065 9.487 1.00 0.00 C ATOM 942 O PHE A 58 7.701 -6.719 9.216 1.00 0.00 O ATOM 943 CB PHE A 58 9.418 -7.941 7.212 1.00 0.00 C ATOM 944 CG PHE A 58 10.553 -8.528 6.421 1.00 0.00 C ATOM 945 CD1 PHE A 58 11.864 -8.364 6.839 1.00 0.00 C ATOM 946 CD2 PHE A 58 10.308 -9.244 5.260 1.00 0.00 C ATOM 947 CE1 PHE A 58 12.910 -8.903 6.114 1.00 0.00 C ATOM 948 CE2 PHE A 58 11.350 -9.785 4.531 1.00 0.00 C ATOM 949 CZ PHE A 58 12.652 -9.614 4.958 1.00 0.00 C ATOM 0 H PHE A 58 8.218 -9.805 8.377 1.00 0.00 H new ATOM 0 HA PHE A 58 10.574 -8.237 9.002 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.478 -8.354 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.383 -6.865 7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.071 -7.809 7.742 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.292 -9.381 4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.927 -8.769 6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.146 -10.341 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.467 -10.036 4.389 1.00 0.00 H new ATOM 959 N PRO A 59 9.559 -6.464 10.461 1.00 0.00 N ATOM 960 CA PRO A 59 9.018 -5.364 11.265 1.00 0.00 C ATOM 961 C PRO A 59 8.950 -4.049 10.494 1.00 0.00 C ATOM 962 O PRO A 59 8.372 -3.072 10.970 1.00 0.00 O ATOM 963 CB PRO A 59 10.014 -5.252 12.420 1.00 0.00 C ATOM 964 CG PRO A 59 11.301 -5.733 11.848 1.00 0.00 C ATOM 965 CD PRO A 59 10.939 -6.808 10.859 1.00 0.00 C ATOM 0 HA PRO A 59 7.992 -5.558 11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.096 -4.225 12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.706 -5.860 13.271 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.840 -4.920 11.361 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.953 -6.125 12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.614 -6.809 10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.991 -7.800 11.308 1.00 0.00 H new ATOM 973 N ASN A 60 9.543 -4.024 9.303 1.00 0.00 N ATOM 974 CA ASN A 60 9.541 -2.820 8.480 1.00 0.00 C ATOM 975 C ASN A 60 8.122 -2.452 8.059 1.00 0.00 C ATOM 976 O ASN A 60 7.799 -1.276 7.893 1.00 0.00 O ATOM 977 CB ASN A 60 10.420 -3.011 7.242 1.00 0.00 C ATOM 978 CG ASN A 60 10.168 -4.335 6.547 1.00 0.00 C ATOM 979 OD1 ASN A 60 9.115 -4.544 5.946 1.00 0.00 O ATOM 980 ND2 ASN A 60 11.139 -5.237 6.628 1.00 0.00 N ATOM 0 H ASN A 60 10.028 -4.820 8.889 1.00 0.00 H new ATOM 0 HA ASN A 60 9.948 -2.005 9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.237 -2.196 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.469 -2.951 7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.028 -6.147 6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.996 -5.020 7.137 1.00 0.00 H new ATOM 987 N PHE A 61 7.277 -3.464 7.894 1.00 0.00 N ATOM 988 CA PHE A 61 5.890 -3.245 7.497 1.00 0.00 C ATOM 989 C PHE A 61 4.959 -3.296 8.708 1.00 0.00 C ATOM 990 O PHE A 61 3.846 -2.774 8.669 1.00 0.00 O ATOM 991 CB PHE A 61 5.463 -4.288 6.458 1.00 0.00 C ATOM 992 CG PHE A 61 5.190 -5.649 7.035 1.00 0.00 C ATOM 993 CD1 PHE A 61 3.982 -5.920 7.657 1.00 0.00 C ATOM 994 CD2 PHE A 61 6.141 -6.655 6.958 1.00 0.00 C ATOM 995 CE1 PHE A 61 3.726 -7.169 8.190 1.00 0.00 C ATOM 996 CE2 PHE A 61 5.890 -7.906 7.490 1.00 0.00 C ATOM 997 CZ PHE A 61 4.682 -8.164 8.107 1.00 0.00 C ATOM 0 H PHE A 61 7.528 -4.444 8.029 1.00 0.00 H new ATOM 0 HA PHE A 61 5.818 -2.252 7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.566 -3.934 5.950 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.244 -4.375 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.232 -5.146 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.088 -6.459 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.780 -7.368 8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.639 -8.681 7.423 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.485 -9.141 8.524 1.00 0.00 H new ATOM 1007 N THR A 62 5.423 -3.933 9.782 1.00 0.00 N ATOM 1008 CA THR A 62 4.634 -4.058 11.003 1.00 0.00 C ATOM 1009 C THR A 62 4.121 -2.700 11.476 1.00 0.00 C ATOM 1010 O THR A 62 3.036 -2.603 12.049 1.00 0.00 O ATOM 1011 CB THR A 62 5.465 -4.732 12.102 1.00 0.00 C ATOM 1012 OG1 THR A 62 4.623 -5.317 13.080 1.00 0.00 O ATOM 1013 CG2 THR A 62 6.413 -3.792 12.820 1.00 0.00 C ATOM 0 H THR A 62 6.343 -4.371 9.830 1.00 0.00 H new ATOM 0 HA THR A 62 3.767 -4.680 10.783 1.00 0.00 H new ATOM 0 HB THR A 62 6.059 -5.484 11.582 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.162 -5.602 13.848 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.964 -4.343 13.582 1.00 0.00 H new ATOM 0 HG22 THR A 62 7.114 -3.364 12.103 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.843 -2.992 13.292 1.00 0.00 H new ATOM 1021 N PHE A 63 4.908 -1.654 11.235 1.00 0.00 N ATOM 1022 CA PHE A 63 4.530 -0.303 11.641 1.00 0.00 C ATOM 1023 C PHE A 63 4.034 -0.291 13.083 1.00 0.00 C ATOM 1024 O PHE A 63 3.086 0.417 13.421 1.00 0.00 O ATOM 1025 CB PHE A 63 3.447 0.246 10.711 1.00 0.00 C ATOM 1026 CG PHE A 63 3.777 0.102 9.251 1.00 0.00 C ATOM 1027 CD1 PHE A 63 5.076 0.271 8.797 1.00 0.00 C ATOM 1028 CD2 PHE A 63 2.784 -0.200 8.331 1.00 0.00 C ATOM 1029 CE1 PHE A 63 5.378 0.142 7.456 1.00 0.00 C ATOM 1030 CE2 PHE A 63 3.082 -0.331 6.988 1.00 0.00 C ATOM 1031 CZ PHE A 63 4.380 -0.160 6.550 1.00 0.00 C ATOM 0 H PHE A 63 5.809 -1.716 10.762 1.00 0.00 H new ATOM 0 HA PHE A 63 5.413 0.333 11.573 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.509 -0.270 10.915 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.287 1.300 10.936 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.861 0.506 9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.767 -0.334 8.668 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.394 0.277 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.300 -0.567 6.281 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.615 -0.262 5.501 1.00 0.00 H new ATOM 1041 N GLU A 64 4.680 -1.091 13.927 1.00 0.00 N ATOM 1042 CA GLU A 64 4.307 -1.188 15.334 1.00 0.00 C ATOM 1043 C GLU A 64 2.990 -1.940 15.489 1.00 0.00 C ATOM 1044 O GLU A 64 2.194 -1.641 16.379 1.00 0.00 O ATOM 1045 CB GLU A 64 4.193 0.204 15.961 1.00 0.00 C ATOM 1046 CG GLU A 64 4.458 0.221 17.457 1.00 0.00 C ATOM 1047 CD GLU A 64 5.866 0.674 17.794 1.00 0.00 C ATOM 1048 OE1 GLU A 64 6.786 0.395 16.997 1.00 0.00 O ATOM 1049 OE2 GLU A 64 6.047 1.307 18.855 1.00 0.00 O ATOM 0 H GLU A 64 5.466 -1.683 13.659 1.00 0.00 H new ATOM 0 HA GLU A 64 5.090 -1.741 15.854 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.897 0.874 15.468 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.194 0.597 15.773 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.741 0.884 17.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.294 -0.777 17.863 1.00 0.00 H new ATOM 1056 N ASP A 65 2.764 -2.918 14.614 1.00 0.00 N ATOM 1057 CA ASP A 65 1.540 -3.709 14.655 1.00 0.00 C ATOM 1058 C ASP A 65 1.577 -4.713 15.805 1.00 0.00 C ATOM 1059 O ASP A 65 2.637 -4.989 16.365 1.00 0.00 O ATOM 1060 CB ASP A 65 1.337 -4.446 13.332 1.00 0.00 C ATOM 1061 CG ASP A 65 0.517 -3.643 12.343 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -0.488 -3.030 12.763 1.00 0.00 O ATOM 1063 OD2 ASP A 65 0.879 -3.625 11.147 1.00 0.00 O ATOM 0 H ASP A 65 3.412 -3.180 13.871 1.00 0.00 H new ATOM 0 HA ASP A 65 0.705 -3.027 14.816 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.309 -4.674 12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.842 -5.398 13.522 1.00 0.00 H new ATOM 1068 N PRO A 66 0.409 -5.283 16.161 1.00 0.00 N ATOM 1069 CA PRO A 66 0.283 -6.270 17.244 1.00 0.00 C ATOM 1070 C PRO A 66 1.435 -7.254 17.296 1.00 0.00 C ATOM 1071 O PRO A 66 1.771 -7.773 18.360 1.00 0.00 O ATOM 1072 CB PRO A 66 -1.017 -6.969 16.890 1.00 0.00 C ATOM 1073 CG PRO A 66 -1.839 -5.867 16.340 1.00 0.00 C ATOM 1074 CD PRO A 66 -0.897 -5.021 15.528 1.00 0.00 C ATOM 0 HA PRO A 66 0.294 -5.807 18.231 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.864 -7.764 16.160 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.483 -7.425 17.764 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.649 -6.254 15.722 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.298 -5.285 17.139 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.901 -5.307 14.476 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.163 -3.965 15.572 1.00 0.00 H new ATOM 1082 N LYS A 67 2.062 -7.489 16.150 1.00 0.00 N ATOM 1083 CA LYS A 67 3.201 -8.388 16.093 1.00 0.00 C ATOM 1084 C LYS A 67 4.307 -7.903 17.032 1.00 0.00 C ATOM 1085 O LYS A 67 5.306 -8.594 17.232 1.00 0.00 O ATOM 1086 CB LYS A 67 3.732 -8.484 14.661 1.00 0.00 C ATOM 1087 CG LYS A 67 4.597 -9.710 14.415 1.00 0.00 C ATOM 1088 CD LYS A 67 6.074 -9.392 14.576 1.00 0.00 C ATOM 1089 CE LYS A 67 6.747 -9.173 13.231 1.00 0.00 C ATOM 1090 NZ LYS A 67 8.231 -9.233 13.337 1.00 0.00 N ATOM 0 H LYS A 67 1.802 -7.072 15.256 1.00 0.00 H new ATOM 0 HA LYS A 67 2.877 -9.378 16.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.889 -8.499 13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.312 -7.589 14.436 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.316 -10.500 15.111 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.413 -10.090 13.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.190 -8.500 15.192 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.568 -10.209 15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.403 -9.929 12.525 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.450 -8.204 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.655 -8.962 12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.553 -8.578 14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.523 -10.201 13.581 1.00 0.00 H new ATOM 1104 N PHE A 68 4.123 -6.709 17.611 1.00 0.00 N ATOM 1105 CA PHE A 68 5.115 -6.154 18.528 1.00 0.00 C ATOM 1106 C PHE A 68 5.271 -7.039 19.762 1.00 0.00 C ATOM 1107 O PHE A 68 6.318 -7.035 20.411 1.00 0.00 O ATOM 1108 CB PHE A 68 4.734 -4.731 18.949 1.00 0.00 C ATOM 1109 CG PHE A 68 3.300 -4.583 19.378 1.00 0.00 C ATOM 1110 CD1 PHE A 68 2.824 -5.238 20.502 1.00 0.00 C ATOM 1111 CD2 PHE A 68 2.430 -3.785 18.653 1.00 0.00 C ATOM 1112 CE1 PHE A 68 1.505 -5.101 20.893 1.00 0.00 C ATOM 1113 CE2 PHE A 68 1.111 -3.645 19.037 1.00 0.00 C ATOM 1114 CZ PHE A 68 0.647 -4.304 20.159 1.00 0.00 C ATOM 0 H PHE A 68 3.305 -6.118 17.460 1.00 0.00 H new ATOM 0 HA PHE A 68 6.069 -6.118 18.002 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.382 -4.420 19.769 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.925 -4.053 18.117 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.490 -5.862 21.079 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.788 -3.266 17.776 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.145 -5.616 21.771 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.443 -3.021 18.461 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.384 -4.197 20.462 1.00 0.00 H new ATOM 1124 N GLU A 69 4.225 -7.796 20.082 1.00 0.00 N ATOM 1125 CA GLU A 69 4.248 -8.685 21.239 1.00 0.00 C ATOM 1126 C GLU A 69 2.942 -9.463 21.351 1.00 0.00 C ATOM 1127 O GLU A 69 1.945 -8.952 21.861 1.00 0.00 O ATOM 1128 CB GLU A 69 4.488 -7.884 22.521 1.00 0.00 C ATOM 1129 CG GLU A 69 4.565 -8.746 23.771 1.00 0.00 C ATOM 1130 CD GLU A 69 4.042 -8.034 25.002 1.00 0.00 C ATOM 1131 OE1 GLU A 69 4.678 -7.049 25.434 1.00 0.00 O ATOM 1132 OE2 GLU A 69 2.997 -8.460 25.536 1.00 0.00 O ATOM 0 H GLU A 69 3.351 -7.811 19.556 1.00 0.00 H new ATOM 0 HA GLU A 69 5.064 -9.395 21.104 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.416 -7.322 22.420 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.686 -7.156 22.640 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.992 -9.660 23.614 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.600 -9.043 23.940 1.00 0.00 H new ATOM 1139 N VAL A 70 2.954 -10.703 20.870 1.00 0.00 N ATOM 1140 CA VAL A 70 1.768 -11.550 20.917 1.00 0.00 C ATOM 1141 C VAL A 70 2.097 -12.979 20.491 1.00 0.00 C ATOM 1142 O VAL A 70 1.410 -13.563 19.651 1.00 0.00 O ATOM 1143 CB VAL A 70 0.645 -10.994 20.019 1.00 0.00 C ATOM 1144 CG1 VAL A 70 1.086 -10.962 18.564 1.00 0.00 C ATOM 1145 CG2 VAL A 70 -0.627 -11.813 20.182 1.00 0.00 C ATOM 0 H VAL A 70 3.770 -11.142 20.444 1.00 0.00 H new ATOM 0 HA VAL A 70 1.421 -11.557 21.950 1.00 0.00 H new ATOM 0 HB VAL A 70 0.432 -9.971 20.330 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.279 -10.566 17.948 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.965 -10.325 18.464 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.331 -11.972 18.236 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.407 -11.405 19.540 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.432 -12.848 19.902 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.954 -11.774 21.221 1.00 0.00 H new ATOM 1155 N VAL A 71 3.154 -13.537 21.074 1.00 0.00 N ATOM 1156 CA VAL A 71 3.574 -14.896 20.755 1.00 0.00 C ATOM 1157 C VAL A 71 4.271 -15.551 21.944 1.00 0.00 C ATOM 1158 O VAL A 71 5.096 -16.449 21.773 1.00 0.00 O ATOM 1159 CB VAL A 71 4.521 -14.922 19.541 1.00 0.00 C ATOM 1160 CG1 VAL A 71 4.739 -16.349 19.062 1.00 0.00 C ATOM 1161 CG2 VAL A 71 3.976 -14.054 18.416 1.00 0.00 C ATOM 0 H VAL A 71 3.735 -13.068 21.770 1.00 0.00 H new ATOM 0 HA VAL A 71 2.671 -15.456 20.513 1.00 0.00 H new ATOM 0 HB VAL A 71 5.484 -14.515 19.849 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.411 -16.346 18.204 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.179 -16.939 19.866 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.783 -16.786 18.773 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.660 -14.086 17.568 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.999 -14.427 18.109 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.878 -13.026 18.764 1.00 0.00 H new ATOM 1171 N GLU A 72 3.936 -15.096 23.147 1.00 0.00 N ATOM 1172 CA GLU A 72 4.532 -15.639 24.365 1.00 0.00 C ATOM 1173 C GLU A 72 6.055 -15.561 24.313 1.00 0.00 C ATOM 1174 O GLU A 72 6.748 -16.365 24.935 1.00 0.00 O ATOM 1175 CB GLU A 72 4.091 -17.089 24.569 1.00 0.00 C ATOM 1176 CG GLU A 72 4.058 -17.516 26.027 1.00 0.00 C ATOM 1177 CD GLU A 72 3.002 -16.777 26.827 1.00 0.00 C ATOM 1178 OE1 GLU A 72 1.802 -17.056 26.625 1.00 0.00 O ATOM 1179 OE2 GLU A 72 3.376 -15.919 27.654 1.00 0.00 O ATOM 0 H GLU A 72 3.255 -14.353 23.306 1.00 0.00 H new ATOM 0 HA GLU A 72 4.187 -15.038 25.206 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.099 -17.222 24.138 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.767 -17.746 24.022 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.868 -18.588 26.084 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.036 -17.342 26.475 1.00 0.00 H new ATOM 1186 N LYS A 73 6.569 -14.586 23.567 1.00 0.00 N ATOM 1187 CA LYS A 73 8.010 -14.405 23.436 1.00 0.00 C ATOM 1188 C LYS A 73 8.327 -13.174 22.588 1.00 0.00 C ATOM 1189 O LYS A 73 8.486 -13.274 21.371 1.00 0.00 O ATOM 1190 CB LYS A 73 8.648 -15.648 22.812 1.00 0.00 C ATOM 1191 CG LYS A 73 9.251 -16.599 23.832 1.00 0.00 C ATOM 1192 CD LYS A 73 10.535 -17.230 23.317 1.00 0.00 C ATOM 1193 CE LYS A 73 11.640 -16.197 23.164 1.00 0.00 C ATOM 1194 NZ LYS A 73 12.481 -16.457 21.963 1.00 0.00 N ATOM 0 H LYS A 73 6.009 -13.911 23.046 1.00 0.00 H new ATOM 0 HA LYS A 73 8.425 -14.256 24.433 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.894 -16.181 22.232 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.425 -15.336 22.114 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.455 -16.060 24.757 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.531 -17.381 24.071 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.859 -18.012 24.004 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.347 -17.708 22.356 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.200 -15.203 23.090 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.268 -16.202 24.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.484 -16.340 22.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.317 -17.428 21.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.229 -15.784 21.211 1.00 0.00 H new ATOM 1208 N PRO A 74 8.424 -11.993 23.222 1.00 0.00 N ATOM 1209 CA PRO A 74 8.725 -10.742 22.519 1.00 0.00 C ATOM 1210 C PRO A 74 9.964 -10.855 21.638 1.00 0.00 C ATOM 1211 O PRO A 74 10.094 -10.148 20.638 1.00 0.00 O ATOM 1212 CB PRO A 74 8.965 -9.744 23.654 1.00 0.00 C ATOM 1213 CG PRO A 74 8.193 -10.289 24.806 1.00 0.00 C ATOM 1214 CD PRO A 74 8.249 -11.785 24.672 1.00 0.00 C ATOM 0 HA PRO A 74 7.921 -10.453 21.842 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.026 -9.662 23.891 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.621 -8.746 23.383 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.625 -9.966 25.753 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.163 -9.934 24.788 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.076 -12.209 25.241 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.336 -12.256 25.038 1.00 0.00 H new ATOM 1222 N GLN A 75 10.872 -11.749 22.015 1.00 0.00 N ATOM 1223 CA GLN A 75 12.102 -11.956 21.258 1.00 0.00 C ATOM 1224 C GLN A 75 11.797 -12.445 19.847 1.00 0.00 C ATOM 1225 O GLN A 75 12.292 -11.891 18.865 1.00 0.00 O ATOM 1226 CB GLN A 75 13.004 -12.961 21.976 1.00 0.00 C ATOM 1227 CG GLN A 75 13.885 -12.335 23.044 1.00 0.00 C ATOM 1228 CD GLN A 75 14.118 -13.260 24.222 1.00 0.00 C ATOM 1229 OE1 GLN A 75 14.012 -12.851 25.378 1.00 0.00 O ATOM 1230 NE2 GLN A 75 14.439 -14.516 23.933 1.00 0.00 N ATOM 0 H GLN A 75 10.780 -12.342 22.840 1.00 0.00 H new ATOM 0 HA GLN A 75 12.620 -11.000 21.186 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.383 -13.731 22.435 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.637 -13.458 21.241 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.845 -12.063 22.605 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.423 -11.413 23.396 1.00 0.00 H new ATOM 0 HE21 GLN A 75 14.516 -14.812 22.960 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.609 -15.185 24.684 1.00 0.00 H new ATOM 1239 N SER A 76 10.976 -13.487 19.751 1.00 0.00 N ATOM 1240 CA SER A 76 10.604 -14.051 18.460 1.00 0.00 C ATOM 1241 C SER A 76 9.369 -14.936 18.588 1.00 0.00 C ATOM 1242 O SER A 76 9.124 -15.452 19.699 1.00 0.00 O ATOM 1243 CB SER A 76 11.766 -14.859 17.878 1.00 0.00 C ATOM 1244 OG SER A 76 12.916 -14.048 17.710 1.00 0.00 O ATOM 1245 OXT SER A 76 8.655 -15.106 17.577 1.00 0.00 O ATOM 0 H SER A 76 10.556 -13.957 20.553 1.00 0.00 H new ATOM 0 HA SER A 76 10.370 -13.227 17.786 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.999 -15.694 18.538 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.473 -15.284 16.918 1.00 0.00 H new ATOM 0 HG SER A 76 12.667 -13.104 17.800 1.00 0.00 H new TER 1251 SER A 76