USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 37 TYR OH : rot 37:sc= 1.22 USER MOD Set 1.2: A 77 ASN : amide:sc= 0.206 K(o=1.4,f=0.14) USER MOD Set 2.1: A 59 SER OG : rot -124:sc= 0.985 USER MOD Set 2.2: A 94 HIS : no HE2:sc= -0.91 K(o=0.076,f=-2.3) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.504! K(o=0.74!,f=-1.6) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.22) USER MOD Set 4.1: A 23 THR OG1 : rot -174:sc= 1.96 USER MOD Set 4.2: A 26 THR OG1 : rot -24:sc= 1.2 USER MOD Set 4.3: A 74 HIS : no HD1:sc= -0.139 K(o=3,f=1.3) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.125 (180deg=-0.668) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.107 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.508 (180deg=0.458) USER MOD Single : A 18 THR OG1 : rot -2:sc= 0.593 USER MOD Single : A 24 ASN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -1.41! (180deg=-3.55!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -147:sc= 1.12 USER MOD Single : A 34 ASN : amide:sc= 0.944 K(o=0.94,f=0.034) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.473 K(o=0.47,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.2) USER MOD Single : A 60 SER OG : rot 62:sc= 1.26 USER MOD Single : A 61 SER OG : rot 80:sc= 0.00511 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 42:sc= 0.213 USER MOD Single : A 72 CYS SG : rot 171:sc= 1.8 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.03 K(o=-1,f=-0.0033) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -1.3 K(o=-1.3,f=0.36) USER MOD Single : A 89 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-12!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 1:sc= 0.562 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.114 K(o=0.11,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.629 -10.145 11.391 1.00 0.00 N ATOM 2 CA MET A 1 -9.051 -10.253 10.033 1.00 0.00 C ATOM 3 C MET A 1 -8.512 -8.917 9.564 1.00 0.00 C ATOM 4 O MET A 1 -8.781 -7.879 10.164 1.00 0.00 O ATOM 5 CB MET A 1 -10.100 -10.746 9.033 1.00 0.00 C ATOM 6 CG MET A 1 -10.323 -12.245 9.067 1.00 0.00 C ATOM 7 SD MET A 1 -8.857 -13.171 8.571 1.00 0.00 S ATOM 8 CE MET A 1 -8.649 -12.611 6.878 1.00 0.00 C ATOM 0 H1 MET A 1 -9.089 -10.745 12.047 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.584 -9.156 11.710 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.621 -10.458 11.372 1.00 0.00 H new ATOM 0 HA MET A 1 -8.233 -10.972 10.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.046 -10.243 9.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.794 -10.457 8.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.614 -12.543 10.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.152 -12.501 8.407 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.048 -13.334 6.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.626 -12.515 6.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.147 -11.644 6.874 1.00 0.00 H new ATOM 20 N TYR A 2 -7.746 -8.961 8.489 1.00 0.00 N ATOM 21 CA TYR A 2 -7.213 -7.766 7.867 1.00 0.00 C ATOM 22 C TYR A 2 -7.670 -7.705 6.418 1.00 0.00 C ATOM 23 O TYR A 2 -8.425 -8.568 5.966 1.00 0.00 O ATOM 24 CB TYR A 2 -5.682 -7.759 7.938 1.00 0.00 C ATOM 25 CG TYR A 2 -5.125 -7.583 9.334 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.076 -8.645 10.225 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.642 -6.351 9.756 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.564 -8.484 11.497 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.128 -6.182 11.025 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.093 -7.252 11.892 1.00 0.00 C ATOM 31 OH TYR A 2 -3.576 -7.093 13.156 1.00 0.00 O ATOM 0 H TYR A 2 -7.477 -9.828 8.023 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.583 -6.892 8.402 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.306 -8.695 7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.304 -6.956 7.305 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.444 -9.613 9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.669 -5.510 9.079 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.533 -9.321 12.179 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.756 -5.217 11.337 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.286 -6.165 13.277 1.00 0.00 H new ATOM 41 N LEU A 3 -7.219 -6.696 5.698 1.00 0.00 N ATOM 42 CA LEU A 3 -7.579 -6.548 4.299 1.00 0.00 C ATOM 43 C LEU A 3 -6.675 -7.401 3.421 1.00 0.00 C ATOM 44 O LEU A 3 -5.465 -7.453 3.628 1.00 0.00 O ATOM 45 CB LEU A 3 -7.495 -5.084 3.867 1.00 0.00 C ATOM 46 CG LEU A 3 -8.455 -4.138 4.593 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.318 -2.725 4.052 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.891 -4.627 4.465 1.00 0.00 C ATOM 0 H LEU A 3 -6.603 -5.967 6.057 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.608 -6.887 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.475 -4.733 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.691 -5.025 2.796 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.193 -4.128 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.007 -2.065 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.296 -2.376 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.552 -2.719 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.557 -3.941 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.168 -4.670 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.977 -5.621 4.904 1.00 0.00 H new ATOM 60 N ARG A 4 -7.275 -8.083 2.457 1.00 0.00 N ATOM 61 CA ARG A 4 -6.521 -8.894 1.512 1.00 0.00 C ATOM 62 C ARG A 4 -5.715 -7.988 0.588 1.00 0.00 C ATOM 63 O ARG A 4 -6.122 -6.856 0.325 1.00 0.00 O ATOM 64 CB ARG A 4 -7.467 -9.752 0.665 1.00 0.00 C ATOM 65 CG ARG A 4 -8.513 -10.515 1.461 1.00 0.00 C ATOM 66 CD ARG A 4 -9.426 -11.315 0.545 1.00 0.00 C ATOM 67 NE ARG A 4 -10.035 -10.479 -0.495 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.395 -10.931 -1.698 1.00 0.00 C ATOM 69 NH1 ARG A 4 -10.233 -12.214 -2.006 1.00 0.00 N ATOM 70 NH2 ARG A 4 -10.917 -10.103 -2.596 1.00 0.00 N ATOM 0 H ARG A 4 -8.284 -8.091 2.308 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.852 -9.546 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.974 -9.108 -0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.874 -10.465 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.020 -11.186 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.107 -9.816 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.856 -12.117 0.077 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.211 -11.785 1.137 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.193 -9.493 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.833 -12.856 -1.322 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.509 -12.556 -2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.044 -9.117 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.191 -10.453 -3.514 1.00 0.00 H new ATOM 84 N PRO A 5 -4.577 -8.477 0.063 1.00 0.00 N ATOM 85 CA PRO A 5 -3.760 -7.729 -0.900 1.00 0.00 C ATOM 86 C PRO A 5 -4.595 -7.261 -2.095 1.00 0.00 C ATOM 87 O PRO A 5 -4.417 -6.154 -2.604 1.00 0.00 O ATOM 88 CB PRO A 5 -2.689 -8.750 -1.339 1.00 0.00 C ATOM 89 CG PRO A 5 -3.190 -10.076 -0.870 1.00 0.00 C ATOM 90 CD PRO A 5 -3.991 -9.790 0.365 1.00 0.00 C ATOM 0 HA PRO A 5 -3.333 -6.822 -0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.557 -8.740 -2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.720 -8.517 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.803 -10.556 -1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.364 -10.753 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.756 -10.547 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.366 -9.760 1.257 1.00 0.00 H new ATOM 98 N ASP A 6 -5.527 -8.117 -2.511 1.00 0.00 N ATOM 99 CA ASP A 6 -6.460 -7.805 -3.593 1.00 0.00 C ATOM 100 C ASP A 6 -7.317 -6.585 -3.255 1.00 0.00 C ATOM 101 O ASP A 6 -7.521 -5.704 -4.093 1.00 0.00 O ATOM 102 CB ASP A 6 -7.358 -9.016 -3.864 1.00 0.00 C ATOM 103 CG ASP A 6 -8.424 -8.739 -4.907 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.164 -8.965 -6.109 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.528 -8.306 -4.531 1.00 0.00 O ATOM 0 H ASP A 6 -5.657 -9.045 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.881 -7.571 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.742 -9.852 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.837 -9.322 -2.934 1.00 0.00 H new ATOM 110 N GLU A 7 -7.803 -6.531 -2.016 1.00 0.00 N ATOM 111 CA GLU A 7 -8.677 -5.445 -1.581 1.00 0.00 C ATOM 112 C GLU A 7 -7.921 -4.130 -1.470 1.00 0.00 C ATOM 113 O GLU A 7 -8.449 -3.073 -1.826 1.00 0.00 O ATOM 114 CB GLU A 7 -9.332 -5.781 -0.241 1.00 0.00 C ATOM 115 CG GLU A 7 -10.494 -6.751 -0.361 1.00 0.00 C ATOM 116 CD GLU A 7 -11.594 -6.226 -1.263 1.00 0.00 C ATOM 117 OE1 GLU A 7 -11.892 -5.013 -1.205 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.168 -7.028 -2.029 1.00 0.00 O ATOM 0 H GLU A 7 -7.606 -7.227 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.452 -5.330 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.581 -6.207 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.684 -4.860 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.131 -7.702 -0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.903 -6.948 0.630 1.00 0.00 H new ATOM 125 N VAL A 8 -6.689 -4.199 -0.978 1.00 0.00 N ATOM 126 CA VAL A 8 -5.842 -3.017 -0.870 1.00 0.00 C ATOM 127 C VAL A 8 -5.695 -2.353 -2.235 1.00 0.00 C ATOM 128 O VAL A 8 -5.792 -1.131 -2.362 1.00 0.00 O ATOM 129 CB VAL A 8 -4.445 -3.372 -0.312 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.571 -2.132 -0.191 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.570 -4.068 1.034 1.00 0.00 C ATOM 0 H VAL A 8 -6.255 -5.061 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.321 -2.326 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.966 -4.054 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.595 -2.412 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.448 -1.676 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.044 -1.418 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.577 -4.311 1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.075 -3.408 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.148 -4.985 0.917 1.00 0.00 H new ATOM 141 N ALA A 9 -5.493 -3.180 -3.256 1.00 0.00 N ATOM 142 CA ALA A 9 -5.388 -2.706 -4.629 1.00 0.00 C ATOM 143 C ALA A 9 -6.665 -1.987 -5.062 1.00 0.00 C ATOM 144 O ALA A 9 -6.610 -0.903 -5.639 1.00 0.00 O ATOM 145 CB ALA A 9 -5.089 -3.872 -5.558 1.00 0.00 C ATOM 0 H ALA A 9 -5.398 -4.191 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.569 -1.989 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.012 -3.510 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.148 -4.338 -5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.893 -4.605 -5.492 1.00 0.00 H new ATOM 151 N ARG A 10 -7.812 -2.590 -4.760 1.00 0.00 N ATOM 152 CA ARG A 10 -9.109 -2.020 -5.129 1.00 0.00 C ATOM 153 C ARG A 10 -9.320 -0.645 -4.497 1.00 0.00 C ATOM 154 O ARG A 10 -9.859 0.263 -5.134 1.00 0.00 O ATOM 155 CB ARG A 10 -10.245 -2.961 -4.724 1.00 0.00 C ATOM 156 CG ARG A 10 -10.282 -4.256 -5.519 1.00 0.00 C ATOM 157 CD ARG A 10 -10.463 -3.991 -7.008 1.00 0.00 C ATOM 158 NE ARG A 10 -10.536 -5.230 -7.780 1.00 0.00 N ATOM 159 CZ ARG A 10 -10.756 -5.288 -9.092 1.00 0.00 C ATOM 160 NH1 ARG A 10 -10.917 -4.180 -9.803 1.00 0.00 N ATOM 161 NH2 ARG A 10 -10.813 -6.464 -9.697 1.00 0.00 N ATOM 0 H ARG A 10 -7.872 -3.476 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.115 -1.898 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.147 -3.199 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.196 -2.442 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.358 -4.811 -5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.097 -4.883 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.373 -3.412 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.633 -3.385 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.410 -6.110 -7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.873 -3.269 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.085 -4.238 -10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.689 -7.321 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.981 -6.513 -10.702 1.00 0.00 H new ATOM 175 N VAL A 11 -8.897 -0.494 -3.247 1.00 0.00 N ATOM 176 CA VAL A 11 -9.006 0.787 -2.558 1.00 0.00 C ATOM 177 C VAL A 11 -8.120 1.824 -3.239 1.00 0.00 C ATOM 178 O VAL A 11 -8.529 2.968 -3.449 1.00 0.00 O ATOM 179 CB VAL A 11 -8.623 0.667 -1.064 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.749 2.011 -0.359 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.493 -0.376 -0.377 1.00 0.00 C ATOM 0 H VAL A 11 -8.477 -1.239 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.047 1.105 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.582 0.350 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.474 1.899 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.085 2.734 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.778 2.363 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.212 -0.449 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.540 -0.083 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.351 -1.343 -0.859 1.00 0.00 H new ATOM 191 N LEU A 12 -6.912 1.408 -3.593 1.00 0.00 N ATOM 192 CA LEU A 12 -5.981 2.266 -4.317 1.00 0.00 C ATOM 193 C LEU A 12 -6.562 2.687 -5.671 1.00 0.00 C ATOM 194 O LEU A 12 -6.375 3.825 -6.106 1.00 0.00 O ATOM 195 CB LEU A 12 -4.645 1.549 -4.502 1.00 0.00 C ATOM 196 CG LEU A 12 -3.890 1.255 -3.201 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.667 0.398 -3.472 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.485 2.551 -2.515 1.00 0.00 C ATOM 0 H LEU A 12 -6.551 0.476 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.816 3.170 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.822 0.608 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.009 2.156 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.557 0.704 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.146 0.201 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.976 -0.546 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.999 0.923 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.950 2.323 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.838 3.126 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.376 3.134 -2.283 1.00 0.00 H new ATOM 210 N GLU A 13 -7.270 1.769 -6.324 1.00 0.00 N ATOM 211 CA GLU A 13 -7.946 2.061 -7.582 1.00 0.00 C ATOM 212 C GLU A 13 -8.918 3.225 -7.427 1.00 0.00 C ATOM 213 O GLU A 13 -8.998 4.096 -8.293 1.00 0.00 O ATOM 214 CB GLU A 13 -8.698 0.827 -8.074 1.00 0.00 C ATOM 215 CG GLU A 13 -7.800 -0.255 -8.649 1.00 0.00 C ATOM 216 CD GLU A 13 -7.061 0.203 -9.889 1.00 0.00 C ATOM 217 OE1 GLU A 13 -7.672 0.899 -10.727 1.00 0.00 O ATOM 218 OE2 GLU A 13 -5.874 -0.144 -10.042 1.00 0.00 O ATOM 0 H GLU A 13 -7.390 0.810 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.187 2.340 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.270 0.408 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.416 1.131 -8.835 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.078 -0.563 -7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.402 -1.131 -8.891 1.00 0.00 H new ATOM 225 N LYS A 14 -9.651 3.234 -6.316 1.00 0.00 N ATOM 226 CA LYS A 14 -10.597 4.310 -6.023 1.00 0.00 C ATOM 227 C LYS A 14 -9.859 5.620 -5.814 1.00 0.00 C ATOM 228 O LYS A 14 -10.288 6.681 -6.269 1.00 0.00 O ATOM 229 CB LYS A 14 -11.383 3.997 -4.756 1.00 0.00 C ATOM 230 CG LYS A 14 -12.607 4.882 -4.564 1.00 0.00 C ATOM 231 CD LYS A 14 -13.213 4.710 -3.180 1.00 0.00 C ATOM 232 CE LYS A 14 -12.272 5.208 -2.090 1.00 0.00 C ATOM 233 NZ LYS A 14 -12.034 6.677 -2.173 1.00 0.00 N ATOM 0 H LYS A 14 -9.608 2.507 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.277 4.396 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.700 2.954 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.726 4.108 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.329 5.925 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.353 4.640 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.156 5.255 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.442 3.658 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.691 4.965 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.320 4.683 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.311 6.951 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.705 6.922 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.919 7.184 -1.971 1.00 0.00 H new ATOM 247 N ALA A 15 -8.754 5.523 -5.094 1.00 0.00 N ATOM 248 CA ALA A 15 -7.923 6.681 -4.769 1.00 0.00 C ATOM 249 C ALA A 15 -7.252 7.280 -6.009 1.00 0.00 C ATOM 250 O ALA A 15 -6.666 8.361 -5.945 1.00 0.00 O ATOM 251 CB ALA A 15 -6.877 6.294 -3.735 1.00 0.00 C ATOM 0 H ALA A 15 -8.404 4.642 -4.716 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.576 7.450 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.261 7.162 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.373 5.942 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.246 5.500 -4.135 1.00 0.00 H new ATOM 257 N GLY A 16 -7.336 6.580 -7.131 1.00 0.00 N ATOM 258 CA GLY A 16 -6.778 7.097 -8.365 1.00 0.00 C ATOM 259 C GLY A 16 -5.355 6.640 -8.589 1.00 0.00 C ATOM 260 O GLY A 16 -4.547 7.358 -9.174 1.00 0.00 O ATOM 0 H GLY A 16 -7.780 5.665 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.396 6.775 -9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.808 8.186 -8.346 1.00 0.00 H new ATOM 264 N PHE A 17 -5.040 5.450 -8.106 1.00 0.00 N ATOM 265 CA PHE A 17 -3.714 4.881 -8.288 1.00 0.00 C ATOM 266 C PHE A 17 -3.639 4.063 -9.573 1.00 0.00 C ATOM 267 O PHE A 17 -4.654 3.815 -10.225 1.00 0.00 O ATOM 268 CB PHE A 17 -3.341 3.998 -7.103 1.00 0.00 C ATOM 269 CG PHE A 17 -2.825 4.749 -5.908 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.675 5.519 -5.130 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.486 4.673 -5.555 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.202 6.201 -4.027 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.006 5.354 -4.452 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.866 6.119 -3.687 1.00 0.00 C ATOM 0 H PHE A 17 -5.685 4.858 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.008 5.709 -8.357 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.217 3.422 -6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.583 3.283 -7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.721 5.586 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.811 4.075 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.876 6.798 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.039 5.288 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.494 6.652 -2.825 1.00 0.00 H new ATOM 284 N THR A 18 -2.431 3.636 -9.921 1.00 0.00 N ATOM 285 CA THR A 18 -2.206 2.849 -11.123 1.00 0.00 C ATOM 286 C THR A 18 -1.194 1.742 -10.853 1.00 0.00 C ATOM 287 O THR A 18 -0.258 1.932 -10.074 1.00 0.00 O ATOM 288 CB THR A 18 -1.691 3.733 -12.280 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.636 4.588 -11.813 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.812 4.575 -12.873 1.00 0.00 C ATOM 0 H THR A 18 -1.587 3.825 -9.381 1.00 0.00 H new ATOM 0 HA THR A 18 -3.161 2.410 -11.412 1.00 0.00 H new ATOM 0 HB THR A 18 -1.309 3.076 -13.061 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.495 4.440 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.418 5.186 -13.685 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.594 3.921 -13.258 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.228 5.222 -12.101 1.00 0.00 H new ATOM 298 N VAL A 19 -1.381 0.590 -11.483 1.00 0.00 N ATOM 299 CA VAL A 19 -0.424 -0.500 -11.352 1.00 0.00 C ATOM 300 C VAL A 19 0.775 -0.233 -12.262 1.00 0.00 C ATOM 301 O VAL A 19 0.611 0.218 -13.404 1.00 0.00 O ATOM 302 CB VAL A 19 -1.055 -1.881 -11.691 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.298 -2.037 -13.183 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.190 -3.025 -11.180 1.00 0.00 C ATOM 0 H VAL A 19 -2.179 0.387 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.103 -0.541 -10.311 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.019 -1.921 -11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.739 -3.014 -13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.978 -1.256 -13.524 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.351 -1.953 -13.717 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.658 -3.976 -11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.795 -2.971 -11.643 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.087 -2.948 -10.098 1.00 0.00 H new ATOM 314 N ASP A 20 1.973 -0.451 -11.750 1.00 0.00 N ATOM 315 CA ASP A 20 3.173 -0.316 -12.564 1.00 0.00 C ATOM 316 C ASP A 20 3.834 -1.664 -12.769 1.00 0.00 C ATOM 317 O ASP A 20 4.225 -2.011 -13.883 1.00 0.00 O ATOM 318 CB ASP A 20 4.173 0.688 -11.966 1.00 0.00 C ATOM 319 CG ASP A 20 4.637 0.368 -10.556 1.00 0.00 C ATOM 320 OD1 ASP A 20 3.960 -0.414 -9.861 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.677 0.928 -10.135 1.00 0.00 O ATOM 0 H ASP A 20 2.143 -0.721 -10.781 1.00 0.00 H new ATOM 0 HA ASP A 20 2.860 0.076 -13.532 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.046 0.740 -12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.716 1.677 -11.966 1.00 0.00 H new ATOM 326 N VAL A 21 3.949 -2.435 -11.704 1.00 0.00 N ATOM 327 CA VAL A 21 4.581 -3.731 -11.795 1.00 0.00 C ATOM 328 C VAL A 21 3.751 -4.822 -11.106 1.00 0.00 C ATOM 329 O VAL A 21 3.699 -4.931 -9.880 1.00 0.00 O ATOM 330 CB VAL A 21 6.022 -3.677 -11.233 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.043 -3.277 -9.763 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.734 -4.996 -11.451 1.00 0.00 C ATOM 0 H VAL A 21 3.615 -2.186 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 21 4.638 -3.997 -12.850 1.00 0.00 H new ATOM 0 HB VAL A 21 6.559 -2.904 -11.783 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.073 -3.251 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.595 -2.290 -9.648 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.476 -4.003 -9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.745 -4.935 -11.048 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.189 -5.792 -10.944 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.781 -5.212 -12.518 1.00 0.00 H new ATOM 342 N VAL A 22 3.080 -5.620 -11.916 1.00 0.00 N ATOM 343 CA VAL A 22 2.283 -6.725 -11.410 1.00 0.00 C ATOM 344 C VAL A 22 3.054 -8.037 -11.537 1.00 0.00 C ATOM 345 O VAL A 22 3.493 -8.409 -12.623 1.00 0.00 O ATOM 346 CB VAL A 22 0.922 -6.824 -12.145 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.108 -6.838 -13.656 1.00 0.00 C ATOM 348 CG2 VAL A 22 0.146 -8.055 -11.692 1.00 0.00 C ATOM 0 H VAL A 22 3.071 -5.524 -12.931 1.00 0.00 H new ATOM 0 HA VAL A 22 2.079 -6.536 -10.356 1.00 0.00 H new ATOM 0 HB VAL A 22 0.344 -5.937 -11.885 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.135 -6.908 -14.142 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.605 -5.920 -13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.718 -7.696 -13.940 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.805 -8.101 -12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.727 -8.951 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.039 -7.994 -10.620 1.00 0.00 H new ATOM 358 N THR A 23 3.249 -8.716 -10.415 1.00 0.00 N ATOM 359 CA THR A 23 3.945 -9.994 -10.408 1.00 0.00 C ATOM 360 C THR A 23 3.187 -10.998 -9.557 1.00 0.00 C ATOM 361 O THR A 23 2.293 -10.626 -8.793 1.00 0.00 O ATOM 362 CB THR A 23 5.382 -9.873 -9.859 1.00 0.00 C ATOM 363 OG1 THR A 23 5.350 -9.531 -8.468 1.00 0.00 O ATOM 364 CG2 THR A 23 6.182 -8.829 -10.625 1.00 0.00 C ATOM 0 H THR A 23 2.934 -8.402 -9.497 1.00 0.00 H new ATOM 0 HA THR A 23 3.997 -10.330 -11.444 1.00 0.00 H new ATOM 0 HB THR A 23 5.871 -10.839 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.262 -9.362 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.189 -8.769 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.236 -9.111 -11.676 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.694 -7.858 -10.535 1.00 0.00 H new ATOM 372 N ASN A 24 3.575 -12.259 -9.658 1.00 0.00 N ATOM 373 CA ASN A 24 2.970 -13.325 -8.866 1.00 0.00 C ATOM 374 C ASN A 24 3.290 -13.162 -7.379 1.00 0.00 C ATOM 375 O ASN A 24 2.842 -13.951 -6.547 1.00 0.00 O ATOM 376 CB ASN A 24 3.465 -14.694 -9.350 1.00 0.00 C ATOM 377 CG ASN A 24 4.964 -14.889 -9.153 1.00 0.00 C ATOM 378 OD1 ASN A 24 5.748 -13.943 -9.241 1.00 0.00 O ATOM 379 ND2 ASN A 24 5.372 -16.121 -8.894 1.00 0.00 N ATOM 0 H ASN A 24 4.314 -12.574 -10.287 1.00 0.00 H new ATOM 0 HA ASN A 24 1.890 -13.262 -8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.929 -15.478 -8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.225 -14.808 -10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.365 -16.312 -8.760 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.693 -16.880 -8.828 1.00 0.00 H new ATOM 386 N LYS A 25 4.064 -12.134 -7.047 1.00 0.00 N ATOM 387 CA LYS A 25 4.471 -11.905 -5.673 1.00 0.00 C ATOM 388 C LYS A 25 4.091 -10.502 -5.195 1.00 0.00 C ATOM 389 O LYS A 25 4.060 -10.241 -3.989 1.00 0.00 O ATOM 390 CB LYS A 25 5.983 -12.106 -5.541 1.00 0.00 C ATOM 391 CG LYS A 25 6.462 -13.472 -6.010 1.00 0.00 C ATOM 392 CD LYS A 25 7.974 -13.634 -5.884 1.00 0.00 C ATOM 393 CE LYS A 25 8.408 -13.847 -4.440 1.00 0.00 C ATOM 394 NZ LYS A 25 8.295 -12.611 -3.618 1.00 0.00 N ATOM 0 H LYS A 25 4.420 -11.449 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 25 3.945 -12.624 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.495 -11.334 -6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.269 -11.969 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.966 -14.248 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.169 -13.619 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.299 -14.481 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.468 -12.748 -6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.798 -14.632 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.440 -14.197 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.106 -12.549 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.286 -11.779 -4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.414 -12.640 -3.067 1.00 0.00 H new ATOM 408 N THR A 26 3.787 -9.594 -6.123 1.00 0.00 N ATOM 409 CA THR A 26 3.531 -8.202 -5.750 1.00 0.00 C ATOM 410 C THR A 26 2.488 -7.552 -6.629 1.00 0.00 C ATOM 411 O THR A 26 2.200 -8.014 -7.735 1.00 0.00 O ATOM 412 CB THR A 26 4.797 -7.324 -5.845 1.00 0.00 C ATOM 413 OG1 THR A 26 5.271 -7.261 -7.199 1.00 0.00 O ATOM 414 CG2 THR A 26 5.892 -7.860 -4.966 1.00 0.00 C ATOM 0 H THR A 26 3.713 -9.791 -7.121 1.00 0.00 H new ATOM 0 HA THR A 26 3.181 -8.257 -4.719 1.00 0.00 H new ATOM 0 HB THR A 26 4.526 -6.323 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.963 -8.051 -7.690 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.772 -7.223 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.553 -7.873 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.146 -8.873 -5.278 1.00 0.00 H new ATOM 422 N TYR A 27 1.945 -6.458 -6.130 1.00 0.00 N ATOM 423 CA TYR A 27 1.150 -5.577 -6.947 1.00 0.00 C ATOM 424 C TYR A 27 1.663 -4.148 -6.825 1.00 0.00 C ATOM 425 O TYR A 27 1.363 -3.454 -5.853 1.00 0.00 O ATOM 426 CB TYR A 27 -0.333 -5.622 -6.568 1.00 0.00 C ATOM 427 CG TYR A 27 -1.087 -6.820 -7.088 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.360 -6.954 -8.442 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.551 -7.802 -6.224 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.071 -8.036 -8.922 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.267 -8.886 -6.694 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.525 -8.997 -8.045 1.00 0.00 C ATOM 433 OH TYR A 27 -3.246 -10.070 -8.515 1.00 0.00 O ATOM 0 H TYR A 27 2.044 -6.162 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 27 1.242 -5.919 -7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.416 -5.603 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.815 -4.718 -6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.011 -6.200 -9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.349 -7.717 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.270 -8.129 -9.979 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.622 -9.641 -6.009 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.489 -10.654 -7.766 1.00 0.00 H new ATOM 443 N GLY A 28 2.461 -3.729 -7.795 1.00 0.00 N ATOM 444 CA GLY A 28 2.972 -2.375 -7.806 1.00 0.00 C ATOM 445 C GLY A 28 1.869 -1.365 -8.005 1.00 0.00 C ATOM 446 O GLY A 28 1.044 -1.517 -8.902 1.00 0.00 O ATOM 0 H GLY A 28 2.765 -4.306 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.486 -2.172 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.709 -2.271 -8.602 1.00 0.00 H new ATOM 450 N TYR A 29 1.849 -0.336 -7.178 1.00 0.00 N ATOM 451 CA TYR A 29 0.751 0.607 -7.183 1.00 0.00 C ATOM 452 C TYR A 29 1.227 2.023 -6.891 1.00 0.00 C ATOM 453 O TYR A 29 1.501 2.383 -5.754 1.00 0.00 O ATOM 454 CB TYR A 29 -0.290 0.156 -6.161 1.00 0.00 C ATOM 455 CG TYR A 29 -1.516 -0.450 -6.796 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.567 -1.805 -7.100 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.618 0.333 -7.102 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.683 -2.361 -7.690 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.738 -0.216 -7.693 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.766 -1.562 -7.983 1.00 0.00 C ATOM 461 OH TYR A 29 -4.878 -2.111 -8.574 1.00 0.00 O ATOM 0 H TYR A 29 2.580 -0.134 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 29 0.303 0.626 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.162 -0.573 -5.488 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.587 1.010 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.719 -2.433 -6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.600 1.389 -6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.707 -3.416 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.589 0.407 -7.927 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.294 -1.450 -9.166 1.00 0.00 H new ATOM 471 N ARG A 30 1.309 2.835 -7.923 1.00 0.00 N ATOM 472 CA ARG A 30 1.844 4.172 -7.768 1.00 0.00 C ATOM 473 C ARG A 30 0.870 5.224 -8.274 1.00 0.00 C ATOM 474 O ARG A 30 -0.018 4.940 -9.084 1.00 0.00 O ATOM 475 CB ARG A 30 3.179 4.292 -8.498 1.00 0.00 C ATOM 476 CG ARG A 30 3.074 4.162 -10.008 1.00 0.00 C ATOM 477 CD ARG A 30 4.449 4.181 -10.645 1.00 0.00 C ATOM 478 NE ARG A 30 4.392 4.375 -12.089 1.00 0.00 N ATOM 479 CZ ARG A 30 5.320 3.932 -12.931 1.00 0.00 C ATOM 480 NH1 ARG A 30 6.307 3.160 -12.489 1.00 0.00 N ATOM 481 NH2 ARG A 30 5.244 4.234 -14.218 1.00 0.00 N ATOM 0 H ARG A 30 1.015 2.597 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 30 2.001 4.349 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.627 5.256 -8.257 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.856 3.524 -8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.562 3.234 -10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.472 4.978 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.042 4.978 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.960 3.243 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 30 3.594 4.880 -12.475 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.353 2.906 -11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.018 2.821 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.473 4.806 -14.563 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.956 3.894 -14.864 1.00 0.00 H new ATOM 495 N ARG A 31 1.039 6.435 -7.771 1.00 0.00 N ATOM 496 CA ARG A 31 0.256 7.575 -8.214 1.00 0.00 C ATOM 497 C ARG A 31 1.163 8.796 -8.268 1.00 0.00 C ATOM 498 O ARG A 31 1.603 9.299 -7.232 1.00 0.00 O ATOM 499 CB ARG A 31 -0.920 7.818 -7.270 1.00 0.00 C ATOM 500 CG ARG A 31 -1.920 8.835 -7.790 1.00 0.00 C ATOM 501 CD ARG A 31 -3.063 9.036 -6.811 1.00 0.00 C ATOM 502 NE ARG A 31 -2.603 9.637 -5.561 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.406 9.958 -4.549 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.703 9.674 -4.600 1.00 0.00 N ATOM 505 NH2 ARG A 31 -2.910 10.552 -3.472 1.00 0.00 N ATOM 0 H ARG A 31 1.721 6.655 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.152 7.378 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.434 6.873 -7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.538 8.157 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.417 9.786 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.315 8.502 -8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.822 9.674 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.536 8.077 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.605 9.822 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.091 9.206 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.311 9.924 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.913 10.763 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.525 10.798 -2.696 1.00 0.00 H new ATOM 519 N GLY A 32 1.451 9.257 -9.471 1.00 0.00 N ATOM 520 CA GLY A 32 2.471 10.268 -9.642 1.00 0.00 C ATOM 521 C GLY A 32 3.838 9.695 -9.337 1.00 0.00 C ATOM 522 O GLY A 32 4.221 8.666 -9.898 1.00 0.00 O ATOM 0 H GLY A 32 0.998 8.951 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.448 10.647 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.269 11.113 -8.984 1.00 0.00 H new ATOM 526 N GLU A 33 4.563 10.332 -8.430 1.00 0.00 N ATOM 527 CA GLU A 33 5.853 9.814 -7.999 1.00 0.00 C ATOM 528 C GLU A 33 5.727 9.189 -6.608 1.00 0.00 C ATOM 529 O GLU A 33 6.721 8.918 -5.931 1.00 0.00 O ATOM 530 CB GLU A 33 6.902 10.926 -7.999 1.00 0.00 C ATOM 531 CG GLU A 33 8.330 10.407 -8.044 1.00 0.00 C ATOM 532 CD GLU A 33 9.351 11.518 -8.089 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.345 12.296 -9.067 1.00 0.00 O ATOM 534 OE2 GLU A 33 10.166 11.623 -7.148 1.00 0.00 O ATOM 0 H GLU A 33 4.282 11.203 -7.980 1.00 0.00 H new ATOM 0 HA GLU A 33 6.176 9.043 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.732 11.576 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.773 11.537 -7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.514 9.785 -7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.453 9.770 -8.920 1.00 0.00 H new ATOM 541 N ASN A 34 4.491 8.945 -6.195 1.00 0.00 N ATOM 542 CA ASN A 34 4.225 8.309 -4.913 1.00 0.00 C ATOM 543 C ASN A 34 4.172 6.804 -5.108 1.00 0.00 C ATOM 544 O ASN A 34 3.215 6.275 -5.681 1.00 0.00 O ATOM 545 CB ASN A 34 2.903 8.801 -4.310 1.00 0.00 C ATOM 546 CG ASN A 34 2.865 10.306 -4.102 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.274 10.812 -3.058 1.00 0.00 O ATOM 548 ND2 ASN A 34 2.352 11.027 -5.090 1.00 0.00 N ATOM 0 H ASN A 34 3.655 9.179 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 34 5.026 8.571 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.082 8.510 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.740 8.304 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.285 12.041 -5.000 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.024 10.568 -5.940 1.00 0.00 H new ATOM 555 N TYR A 35 5.213 6.123 -4.655 1.00 0.00 N ATOM 556 CA TYR A 35 5.355 4.695 -4.892 1.00 0.00 C ATOM 557 C TYR A 35 4.969 3.871 -3.671 1.00 0.00 C ATOM 558 O TYR A 35 5.636 3.931 -2.634 1.00 0.00 O ATOM 559 CB TYR A 35 6.799 4.356 -5.275 1.00 0.00 C ATOM 560 CG TYR A 35 7.279 5.007 -6.553 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.765 4.626 -7.785 1.00 0.00 C ATOM 562 CD2 TYR A 35 8.262 5.989 -6.529 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.215 5.205 -8.955 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.715 6.573 -7.695 1.00 0.00 C ATOM 565 CZ TYR A 35 8.187 6.177 -8.906 1.00 0.00 C ATOM 566 OH TYR A 35 8.637 6.751 -10.072 1.00 0.00 O ATOM 0 H TYR A 35 5.975 6.538 -4.119 1.00 0.00 H new ATOM 0 HA TYR A 35 4.679 4.444 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.458 4.656 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.890 3.275 -5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.001 3.864 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.678 6.300 -5.582 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.805 4.896 -9.905 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.479 7.336 -7.659 1.00 0.00 H new ATOM 0 HH TYR A 35 9.322 7.420 -9.864 1.00 0.00 H new ATOM 576 N VAL A 36 3.889 3.111 -3.793 1.00 0.00 N ATOM 577 CA VAL A 36 3.571 2.083 -2.817 1.00 0.00 C ATOM 578 C VAL A 36 3.445 0.754 -3.543 1.00 0.00 C ATOM 579 O VAL A 36 3.262 0.721 -4.758 1.00 0.00 O ATOM 580 CB VAL A 36 2.284 2.380 -2.005 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.340 3.771 -1.407 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.031 2.209 -2.848 1.00 0.00 C ATOM 0 H VAL A 36 3.220 3.189 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 36 4.380 2.054 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 36 2.234 1.652 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.428 3.961 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.201 3.847 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.431 4.507 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.152 2.426 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.066 2.894 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.975 1.183 -3.213 1.00 0.00 H new ATOM 592 N TYR A 37 3.580 -0.338 -2.829 1.00 0.00 N ATOM 593 CA TYR A 37 3.603 -1.638 -3.469 1.00 0.00 C ATOM 594 C TYR A 37 2.885 -2.673 -2.617 1.00 0.00 C ATOM 595 O TYR A 37 3.331 -3.014 -1.522 1.00 0.00 O ATOM 596 CB TYR A 37 5.050 -2.051 -3.750 1.00 0.00 C ATOM 597 CG TYR A 37 5.695 -1.246 -4.860 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.581 -1.650 -6.181 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.392 -0.073 -4.596 1.00 0.00 C ATOM 600 CE1 TYR A 37 6.135 -0.912 -7.206 1.00 0.00 C ATOM 601 CE2 TYR A 37 6.955 0.670 -5.618 1.00 0.00 C ATOM 602 CZ TYR A 37 6.821 0.244 -6.922 1.00 0.00 C ATOM 603 OH TYR A 37 7.364 0.985 -7.947 1.00 0.00 O ATOM 0 H TYR A 37 3.675 -0.357 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 37 3.072 -1.576 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.637 -1.937 -2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.075 -3.108 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.048 -2.560 -6.412 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.496 0.264 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.030 -1.242 -8.229 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.496 1.578 -5.396 1.00 0.00 H new ATOM 0 HH TYR A 37 6.764 0.962 -8.721 1.00 0.00 H new ATOM 613 N VAL A 38 1.764 -3.154 -3.126 1.00 0.00 N ATOM 614 CA VAL A 38 0.947 -4.119 -2.412 1.00 0.00 C ATOM 615 C VAL A 38 1.630 -5.481 -2.386 1.00 0.00 C ATOM 616 O VAL A 38 2.047 -6.003 -3.422 1.00 0.00 O ATOM 617 CB VAL A 38 -0.454 -4.251 -3.044 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.311 -5.239 -2.273 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.142 -2.899 -3.117 1.00 0.00 C ATOM 0 H VAL A 38 1.397 -2.889 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 38 0.829 -3.756 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.327 -4.630 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.293 -5.312 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.832 -6.218 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.424 -4.897 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.128 -3.016 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.247 -2.490 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.545 -2.219 -3.725 1.00 0.00 H new ATOM 629 N ASN A 39 1.748 -6.044 -1.198 1.00 0.00 N ATOM 630 CA ASN A 39 2.412 -7.319 -1.019 1.00 0.00 C ATOM 631 C ASN A 39 1.435 -8.459 -1.277 1.00 0.00 C ATOM 632 O ASN A 39 0.502 -8.677 -0.507 1.00 0.00 O ATOM 633 CB ASN A 39 2.979 -7.427 0.398 1.00 0.00 C ATOM 634 CG ASN A 39 4.004 -8.540 0.537 1.00 0.00 C ATOM 635 OD1 ASN A 39 4.088 -9.200 1.574 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.814 -8.734 -0.493 1.00 0.00 N ATOM 0 H ASN A 39 1.389 -5.633 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 39 3.233 -7.388 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.439 -6.478 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.163 -7.601 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.539 -9.450 -0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.713 -8.167 -1.335 1.00 0.00 H new ATOM 643 N ARG A 40 1.654 -9.186 -2.363 1.00 0.00 N ATOM 644 CA ARG A 40 0.787 -10.303 -2.724 1.00 0.00 C ATOM 645 C ARG A 40 1.135 -11.524 -1.872 1.00 0.00 C ATOM 646 O ARG A 40 0.466 -12.552 -1.919 1.00 0.00 O ATOM 647 CB ARG A 40 0.940 -10.599 -4.219 1.00 0.00 C ATOM 648 CG ARG A 40 0.061 -11.719 -4.753 1.00 0.00 C ATOM 649 CD ARG A 40 0.255 -11.885 -6.251 1.00 0.00 C ATOM 650 NE ARG A 40 -0.465 -13.036 -6.784 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.022 -13.067 -7.990 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.922 -12.018 -8.798 1.00 0.00 N ATOM 653 NH2 ARG A 40 -1.652 -14.158 -8.395 1.00 0.00 N ATOM 0 H ARG A 40 2.425 -9.024 -3.011 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.255 -10.047 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.720 -9.689 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.982 -10.851 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.303 -12.652 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.985 -11.501 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.082 -10.982 -6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.318 -11.994 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.546 -13.866 -6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.417 -11.186 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.350 -12.044 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.709 -14.971 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.081 -14.186 -9.320 1.00 0.00 H new ATOM 667 N GLU A 41 2.181 -11.376 -1.068 1.00 0.00 N ATOM 668 CA GLU A 41 2.631 -12.432 -0.174 1.00 0.00 C ATOM 669 C GLU A 41 1.892 -12.358 1.162 1.00 0.00 C ATOM 670 O GLU A 41 2.223 -13.082 2.106 1.00 0.00 O ATOM 671 CB GLU A 41 4.132 -12.295 0.082 1.00 0.00 C ATOM 672 CG GLU A 41 4.961 -12.080 -1.173 1.00 0.00 C ATOM 673 CD GLU A 41 6.406 -11.756 -0.855 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.658 -10.695 -0.241 1.00 0.00 O ATOM 675 OE2 GLU A 41 7.290 -12.559 -1.211 1.00 0.00 O ATOM 0 H GLU A 41 2.738 -10.523 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 41 2.421 -13.391 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.298 -11.459 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.486 -13.193 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.919 -12.976 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.528 -11.268 -1.758 1.00 0.00 H new ATOM 682 N ALA A 42 0.899 -11.476 1.242 1.00 0.00 N ATOM 683 CA ALA A 42 0.180 -11.255 2.489 1.00 0.00 C ATOM 684 C ALA A 42 -0.726 -12.433 2.834 1.00 0.00 C ATOM 685 O ALA A 42 -1.888 -12.474 2.434 1.00 0.00 O ATOM 686 CB ALA A 42 -0.625 -9.966 2.421 1.00 0.00 C ATOM 0 H ALA A 42 0.576 -10.906 0.460 1.00 0.00 H new ATOM 0 HA ALA A 42 0.921 -11.165 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.155 -9.818 3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.047 -9.126 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.345 -10.029 1.605 1.00 0.00 H new ATOM 692 N ARG A 43 -0.175 -13.392 3.571 1.00 0.00 N ATOM 693 CA ARG A 43 -0.937 -14.547 4.033 1.00 0.00 C ATOM 694 C ARG A 43 -1.976 -14.106 5.057 1.00 0.00 C ATOM 695 O ARG A 43 -3.091 -14.623 5.101 1.00 0.00 O ATOM 696 CB ARG A 43 -0.006 -15.581 4.680 1.00 0.00 C ATOM 697 CG ARG A 43 1.233 -15.919 3.863 1.00 0.00 C ATOM 698 CD ARG A 43 0.902 -16.671 2.582 1.00 0.00 C ATOM 699 NE ARG A 43 2.112 -17.008 1.831 1.00 0.00 N ATOM 700 CZ ARG A 43 2.199 -18.012 0.957 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.151 -18.800 0.735 1.00 0.00 N ATOM 702 NH2 ARG A 43 3.340 -18.238 0.316 1.00 0.00 N ATOM 0 H ARG A 43 0.802 -13.392 3.863 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.432 -14.998 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.309 -15.207 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.569 -16.497 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.761 -14.999 3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.910 -16.521 4.469 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.357 -17.583 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.245 -16.063 1.961 1.00 0.00 H new ATOM 0 HE ARG A 43 2.943 -16.438 1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.276 -18.638 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.222 -19.567 0.066 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.150 -17.644 0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.406 -19.006 -0.352 1.00 0.00 H new ATOM 716 N MET A 44 -1.588 -13.134 5.876 1.00 0.00 N ATOM 717 CA MET A 44 -2.434 -12.652 6.963 1.00 0.00 C ATOM 718 C MET A 44 -3.266 -11.452 6.528 1.00 0.00 C ATOM 719 O MET A 44 -4.324 -11.184 7.094 1.00 0.00 O ATOM 720 CB MET A 44 -1.570 -12.244 8.159 1.00 0.00 C ATOM 721 CG MET A 44 -0.663 -13.343 8.683 1.00 0.00 C ATOM 722 SD MET A 44 0.491 -12.735 9.929 1.00 0.00 S ATOM 723 CE MET A 44 1.424 -14.223 10.282 1.00 0.00 C ATOM 0 H MET A 44 -0.687 -12.661 5.807 1.00 0.00 H new ATOM 0 HA MET A 44 -3.105 -13.464 7.242 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.957 -11.389 7.874 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.223 -11.913 8.967 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.271 -14.140 9.111 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.105 -13.778 7.854 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.180 -14.008 11.037 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.750 -14.996 10.652 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.911 -14.572 9.371 1.00 0.00 H new ATOM 733 N GLY A 45 -2.782 -10.736 5.517 1.00 0.00 N ATOM 734 CA GLY A 45 -3.380 -9.465 5.147 1.00 0.00 C ATOM 735 C GLY A 45 -2.795 -8.310 5.944 1.00 0.00 C ATOM 736 O GLY A 45 -2.961 -7.146 5.586 1.00 0.00 O ATOM 0 H GLY A 45 -1.984 -11.014 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.225 -9.287 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.457 -9.509 5.309 1.00 0.00 H new ATOM 740 N ARG A 46 -2.089 -8.639 7.024 1.00 0.00 N ATOM 741 CA ARG A 46 -1.514 -7.631 7.910 1.00 0.00 C ATOM 742 C ARG A 46 -0.334 -6.922 7.252 1.00 0.00 C ATOM 743 O ARG A 46 -0.017 -5.786 7.589 1.00 0.00 O ATOM 744 CB ARG A 46 -1.052 -8.275 9.222 1.00 0.00 C ATOM 745 CG ARG A 46 -0.589 -7.263 10.260 1.00 0.00 C ATOM 746 CD ARG A 46 0.183 -7.915 11.397 1.00 0.00 C ATOM 747 NE ARG A 46 -0.609 -8.897 12.136 1.00 0.00 N ATOM 748 CZ ARG A 46 -0.465 -9.137 13.439 1.00 0.00 C ATOM 749 NH1 ARG A 46 0.395 -8.428 14.159 1.00 0.00 N ATOM 750 NH2 ARG A 46 -1.190 -10.078 14.024 1.00 0.00 N ATOM 0 H ARG A 46 -1.901 -9.601 7.307 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.290 -6.895 8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.870 -8.863 9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.237 -8.968 9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.040 -6.514 9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.455 -6.739 10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.071 -8.402 10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.528 -7.143 12.085 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.313 -9.429 11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.949 -7.696 13.716 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.502 -8.615 15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.859 -10.620 13.477 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.079 -10.261 15.021 1.00 0.00 H new ATOM 764 N THR A 47 0.315 -7.597 6.318 1.00 0.00 N ATOM 765 CA THR A 47 1.503 -7.061 5.667 1.00 0.00 C ATOM 766 C THR A 47 1.239 -6.743 4.198 1.00 0.00 C ATOM 767 O THR A 47 2.157 -6.751 3.381 1.00 0.00 O ATOM 768 CB THR A 47 2.663 -8.071 5.759 1.00 0.00 C ATOM 769 OG1 THR A 47 2.224 -9.364 5.308 1.00 0.00 O ATOM 770 CG2 THR A 47 3.184 -8.176 7.183 1.00 0.00 C ATOM 0 H THR A 47 0.039 -8.523 5.991 1.00 0.00 H new ATOM 0 HA THR A 47 1.770 -6.139 6.183 1.00 0.00 H new ATOM 0 HB THR A 47 3.473 -7.717 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.967 -10.001 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.002 -8.896 7.219 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.544 -7.201 7.512 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.380 -8.507 7.841 1.00 0.00 H new ATOM 778 N ALA A 48 -0.013 -6.441 3.877 1.00 0.00 N ATOM 779 CA ALA A 48 -0.428 -6.267 2.490 1.00 0.00 C ATOM 780 C ALA A 48 0.042 -4.941 1.896 1.00 0.00 C ATOM 781 O ALA A 48 0.255 -4.838 0.692 1.00 0.00 O ATOM 782 CB ALA A 48 -1.940 -6.381 2.377 1.00 0.00 C ATOM 0 H ALA A 48 -0.760 -6.311 4.559 1.00 0.00 H new ATOM 0 HA ALA A 48 0.046 -7.062 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.238 -6.249 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.258 -7.364 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.410 -5.611 2.989 1.00 0.00 H new ATOM 788 N LEU A 49 0.208 -3.925 2.730 1.00 0.00 N ATOM 789 CA LEU A 49 0.539 -2.599 2.226 1.00 0.00 C ATOM 790 C LEU A 49 1.996 -2.242 2.493 1.00 0.00 C ATOM 791 O LEU A 49 2.372 -1.926 3.622 1.00 0.00 O ATOM 792 CB LEU A 49 -0.376 -1.545 2.858 1.00 0.00 C ATOM 793 CG LEU A 49 -0.141 -0.112 2.375 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.429 0.008 0.887 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.995 0.865 3.165 1.00 0.00 C ATOM 0 H LEU A 49 0.121 -3.990 3.744 1.00 0.00 H new ATOM 0 HA LEU A 49 0.387 -2.613 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.412 -1.816 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.246 -1.574 3.940 1.00 0.00 H new ATOM 0 HG LEU A 49 0.907 0.136 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.256 1.035 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.229 -0.662 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.467 -0.262 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.814 1.878 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.048 0.616 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.737 0.802 4.222 1.00 0.00 H new ATOM 807 N ILE A 50 2.817 -2.288 1.456 1.00 0.00 N ATOM 808 CA ILE A 50 4.198 -1.849 1.575 1.00 0.00 C ATOM 809 C ILE A 50 4.350 -0.477 0.931 1.00 0.00 C ATOM 810 O ILE A 50 3.775 -0.216 -0.125 1.00 0.00 O ATOM 811 CB ILE A 50 5.194 -2.824 0.906 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.879 -4.281 1.268 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.617 -2.472 1.316 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.945 -4.582 2.750 1.00 0.00 C ATOM 0 H ILE A 50 2.554 -2.622 0.529 1.00 0.00 H new ATOM 0 HA ILE A 50 4.432 -1.813 2.639 1.00 0.00 H new ATOM 0 HB ILE A 50 5.096 -2.723 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.882 -4.526 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.579 -4.933 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.314 -3.163 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.845 -1.453 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.713 -2.547 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.709 -5.633 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.949 -4.371 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.225 -3.959 3.280 1.00 0.00 H new ATOM 826 N ILE A 51 5.102 0.404 1.570 1.00 0.00 N ATOM 827 CA ILE A 51 5.337 1.733 1.026 1.00 0.00 C ATOM 828 C ILE A 51 6.826 1.966 0.816 1.00 0.00 C ATOM 829 O ILE A 51 7.661 1.203 1.312 1.00 0.00 O ATOM 830 CB ILE A 51 4.792 2.846 1.948 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.624 2.937 3.231 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.323 2.601 2.276 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.325 4.165 4.060 1.00 0.00 C ATOM 0 H ILE A 51 5.560 0.224 2.464 1.00 0.00 H new ATOM 0 HA ILE A 51 4.807 1.778 0.075 1.00 0.00 H new ATOM 0 HB ILE A 51 4.870 3.797 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.443 2.048 3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.682 2.934 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.958 3.396 2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.741 2.590 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.218 1.641 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.951 4.163 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.533 5.060 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.275 4.159 4.353 1.00 0.00 H new ATOM 845 N HIS A 52 7.149 3.013 0.074 1.00 0.00 N ATOM 846 CA HIS A 52 8.529 3.446 -0.083 1.00 0.00 C ATOM 847 C HIS A 52 9.078 3.913 1.266 1.00 0.00 C ATOM 848 O HIS A 52 8.353 4.528 2.048 1.00 0.00 O ATOM 849 CB HIS A 52 8.596 4.588 -1.115 1.00 0.00 C ATOM 850 CG HIS A 52 9.975 5.133 -1.355 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.547 6.103 -0.566 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.897 4.832 -2.300 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.756 6.379 -1.006 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.996 5.621 -2.062 1.00 0.00 N ATOM 0 H HIS A 52 6.470 3.582 -0.432 1.00 0.00 H new ATOM 0 HA HIS A 52 9.136 2.614 -0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.191 4.229 -2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.951 5.401 -0.781 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.101 6.543 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.789 4.107 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.436 7.101 -0.578 1.00 0.00 H new ATOM 863 N PRO A 53 10.355 3.602 1.573 1.00 0.00 N ATOM 864 CA PRO A 53 11.025 4.113 2.780 1.00 0.00 C ATOM 865 C PRO A 53 11.085 5.645 2.795 1.00 0.00 C ATOM 866 O PRO A 53 10.378 6.304 2.030 1.00 0.00 O ATOM 867 CB PRO A 53 12.440 3.531 2.697 1.00 0.00 C ATOM 868 CG PRO A 53 12.360 2.401 1.727 1.00 0.00 C ATOM 869 CD PRO A 53 11.227 2.711 0.788 1.00 0.00 C ATOM 0 HA PRO A 53 10.492 3.827 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.153 4.284 2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.778 3.184 3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.297 2.295 1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.185 1.458 2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.582 3.197 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.702 1.806 0.481 1.00 0.00 H new ATOM 877 N ARG A 54 11.901 6.214 3.683 1.00 0.00 N ATOM 878 CA ARG A 54 12.086 7.672 3.764 1.00 0.00 C ATOM 879 C ARG A 54 10.866 8.339 4.414 1.00 0.00 C ATOM 880 O ARG A 54 10.994 9.272 5.202 1.00 0.00 O ATOM 881 CB ARG A 54 12.383 8.253 2.363 1.00 0.00 C ATOM 882 CG ARG A 54 12.488 9.770 2.291 1.00 0.00 C ATOM 883 CD ARG A 54 11.140 10.418 2.023 1.00 0.00 C ATOM 884 NE ARG A 54 11.257 11.862 1.844 1.00 0.00 N ATOM 885 CZ ARG A 54 10.358 12.743 2.273 1.00 0.00 C ATOM 886 NH1 ARG A 54 9.289 12.330 2.937 1.00 0.00 N ATOM 887 NH2 ARG A 54 10.530 14.037 2.042 1.00 0.00 N ATOM 0 H ARG A 54 12.450 5.687 4.363 1.00 0.00 H new ATOM 0 HA ARG A 54 12.946 7.885 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.318 7.824 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.598 7.928 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.894 10.151 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.188 10.049 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.696 9.976 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.465 10.208 2.853 1.00 0.00 H new ATOM 0 HE ARG A 54 12.081 12.218 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.155 11.336 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.600 13.006 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.354 14.359 1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.839 14.710 2.372 1.00 0.00 H new ATOM 901 N LEU A 55 9.688 7.832 4.092 1.00 0.00 N ATOM 902 CA LEU A 55 8.437 8.346 4.622 1.00 0.00 C ATOM 903 C LEU A 55 8.001 7.580 5.865 1.00 0.00 C ATOM 904 O LEU A 55 6.851 7.692 6.293 1.00 0.00 O ATOM 905 CB LEU A 55 7.354 8.245 3.550 1.00 0.00 C ATOM 906 CG LEU A 55 7.262 9.442 2.614 1.00 0.00 C ATOM 907 CD1 LEU A 55 6.590 9.049 1.311 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.491 10.560 3.291 1.00 0.00 C ATOM 0 H LEU A 55 9.572 7.047 3.451 1.00 0.00 H new ATOM 0 HA LEU A 55 8.588 9.388 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.536 7.350 2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.390 8.111 4.040 1.00 0.00 H new ATOM 0 HG LEU A 55 8.269 9.791 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.533 9.917 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.170 8.264 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.584 8.683 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.426 11.416 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.487 10.214 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.005 10.855 4.206 1.00 0.00 H new ATOM 920 N LYS A 56 8.922 6.823 6.451 1.00 0.00 N ATOM 921 CA LYS A 56 8.602 5.988 7.604 1.00 0.00 C ATOM 922 C LYS A 56 8.089 6.836 8.766 1.00 0.00 C ATOM 923 O LYS A 56 7.062 6.522 9.361 1.00 0.00 O ATOM 924 CB LYS A 56 9.827 5.181 8.046 1.00 0.00 C ATOM 925 CG LYS A 56 9.503 4.120 9.086 1.00 0.00 C ATOM 926 CD LYS A 56 10.737 3.330 9.490 1.00 0.00 C ATOM 927 CE LYS A 56 10.378 2.179 10.416 1.00 0.00 C ATOM 928 NZ LYS A 56 11.572 1.389 10.812 1.00 0.00 N ATOM 0 H LYS A 56 9.894 6.770 6.148 1.00 0.00 H new ATOM 0 HA LYS A 56 7.815 5.296 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.272 4.702 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.575 5.862 8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.071 4.595 9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.750 3.440 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.231 2.942 8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.448 3.991 9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.890 2.571 11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.659 1.526 9.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.285 0.625 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.014 0.979 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.255 2.009 11.293 1.00 0.00 H new ATOM 942 N ASP A 57 8.796 7.920 9.063 1.00 0.00 N ATOM 943 CA ASP A 57 8.431 8.804 10.172 1.00 0.00 C ATOM 944 C ASP A 57 7.026 9.370 9.981 1.00 0.00 C ATOM 945 O ASP A 57 6.203 9.344 10.897 1.00 0.00 O ATOM 946 CB ASP A 57 9.440 9.949 10.294 1.00 0.00 C ATOM 947 CG ASP A 57 9.163 10.846 11.485 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.579 10.492 12.610 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.534 11.909 11.305 1.00 0.00 O ATOM 0 H ASP A 57 9.629 8.212 8.551 1.00 0.00 H new ATOM 0 HA ASP A 57 8.445 8.215 11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.445 9.535 10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.419 10.545 9.382 1.00 0.00 H new ATOM 954 N ARG A 58 6.766 9.862 8.775 1.00 0.00 N ATOM 955 CA ARG A 58 5.463 10.410 8.411 1.00 0.00 C ATOM 956 C ARG A 58 4.371 9.342 8.502 1.00 0.00 C ATOM 957 O ARG A 58 3.371 9.512 9.199 1.00 0.00 O ATOM 958 CB ARG A 58 5.539 10.967 6.981 1.00 0.00 C ATOM 959 CG ARG A 58 4.196 11.337 6.359 1.00 0.00 C ATOM 960 CD ARG A 58 3.672 12.679 6.840 1.00 0.00 C ATOM 961 NE ARG A 58 2.411 13.026 6.179 1.00 0.00 N ATOM 962 CZ ARG A 58 2.299 13.909 5.178 1.00 0.00 C ATOM 963 NH1 ARG A 58 3.355 14.616 4.785 1.00 0.00 N ATOM 964 NH2 ARG A 58 1.120 14.097 4.585 1.00 0.00 N ATOM 0 H ARG A 58 7.452 9.893 8.021 1.00 0.00 H new ATOM 0 HA ARG A 58 5.207 11.207 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.176 11.852 6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.025 10.227 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.298 11.360 5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.466 10.562 6.594 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.523 12.648 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.414 13.453 6.643 1.00 0.00 H new ATOM 0 HE ARG A 58 1.561 12.564 6.503 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.255 14.487 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.264 15.287 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.304 13.569 4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.034 14.769 3.823 1.00 0.00 H new ATOM 978 N SER A 59 4.580 8.241 7.793 1.00 0.00 N ATOM 979 CA SER A 59 3.591 7.180 7.687 1.00 0.00 C ATOM 980 C SER A 59 3.238 6.557 9.041 1.00 0.00 C ATOM 981 O SER A 59 2.069 6.277 9.301 1.00 0.00 O ATOM 982 CB SER A 59 4.095 6.108 6.716 1.00 0.00 C ATOM 983 OG SER A 59 3.254 4.966 6.719 1.00 0.00 O ATOM 0 H SER A 59 5.440 8.059 7.276 1.00 0.00 H new ATOM 0 HA SER A 59 2.672 7.625 7.306 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.144 6.522 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.109 5.815 6.990 1.00 0.00 H new ATOM 0 HG SER A 59 3.787 4.168 6.919 1.00 0.00 H new ATOM 989 N SER A 60 4.237 6.350 9.894 1.00 0.00 N ATOM 990 CA SER A 60 4.027 5.671 11.177 1.00 0.00 C ATOM 991 C SER A 60 3.031 6.411 12.073 1.00 0.00 C ATOM 992 O SER A 60 2.382 5.804 12.926 1.00 0.00 O ATOM 993 CB SER A 60 5.359 5.499 11.906 1.00 0.00 C ATOM 994 OG SER A 60 6.276 4.758 11.118 1.00 0.00 O ATOM 0 H SER A 60 5.200 6.641 9.724 1.00 0.00 H new ATOM 0 HA SER A 60 3.600 4.693 10.957 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.780 6.477 12.138 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.195 4.990 12.856 1.00 0.00 H new ATOM 0 HG SER A 60 6.456 5.241 10.284 1.00 0.00 H new ATOM 1000 N SER A 61 2.902 7.718 11.872 1.00 0.00 N ATOM 1001 CA SER A 61 1.996 8.528 12.678 1.00 0.00 C ATOM 1002 C SER A 61 0.564 8.443 12.148 1.00 0.00 C ATOM 1003 O SER A 61 -0.366 8.993 12.739 1.00 0.00 O ATOM 1004 CB SER A 61 2.472 9.978 12.691 1.00 0.00 C ATOM 1005 OG SER A 61 3.825 10.058 13.113 1.00 0.00 O ATOM 0 H SER A 61 3.413 8.239 11.159 1.00 0.00 H new ATOM 0 HA SER A 61 2.000 8.140 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.371 10.408 11.695 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.842 10.567 13.358 1.00 0.00 H new ATOM 0 HG SER A 61 4.415 9.838 12.362 1.00 0.00 H new ATOM 1011 N LEU A 62 0.392 7.739 11.039 1.00 0.00 N ATOM 1012 CA LEU A 62 -0.917 7.581 10.429 1.00 0.00 C ATOM 1013 C LEU A 62 -1.283 6.110 10.332 1.00 0.00 C ATOM 1014 O LEU A 62 -2.240 5.649 10.955 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.932 8.199 9.027 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.610 9.688 8.969 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.367 10.125 7.536 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.745 10.486 9.577 1.00 0.00 C ATOM 0 H LEU A 62 1.147 7.267 10.542 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.647 8.093 11.056 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.215 7.664 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.917 8.039 8.588 1.00 0.00 H new ATOM 0 HG LEU A 62 0.299 9.872 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.139 11.191 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.472 9.566 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.260 9.933 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.507 11.549 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.663 10.295 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.883 10.189 10.617 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.490 5.376 9.569 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.803 4.001 9.231 1.00 0.00 C ATOM 1032 C ALA A 63 -0.006 3.024 10.087 1.00 0.00 C ATOM 1033 O ALA A 63 1.214 3.143 10.205 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.533 3.770 7.755 1.00 0.00 C ATOM 0 H ALA A 63 0.384 5.716 9.169 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.859 3.823 9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.768 2.737 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.155 4.441 7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.518 3.966 7.542 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.713 2.063 10.668 1.00 0.00 N ATOM 1041 CA ASP A 64 -0.114 1.069 11.556 1.00 0.00 C ATOM 1042 C ASP A 64 0.922 0.214 10.832 1.00 0.00 C ATOM 1043 O ASP A 64 0.625 -0.411 9.808 1.00 0.00 O ATOM 1044 CB ASP A 64 -1.206 0.171 12.149 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.652 -0.922 13.042 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.169 -0.604 14.150 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -0.723 -2.108 12.656 1.00 0.00 O ATOM 0 H ASP A 64 -1.718 1.949 10.538 1.00 0.00 H new ATOM 0 HA ASP A 64 0.396 1.605 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.901 0.784 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.776 -0.283 11.338 1.00 0.00 H new ATOM 1052 N PRO A 65 2.164 0.204 11.339 1.00 0.00 N ATOM 1053 CA PRO A 65 3.226 -0.654 10.829 1.00 0.00 C ATOM 1054 C PRO A 65 3.097 -2.076 11.364 1.00 0.00 C ATOM 1055 O PRO A 65 3.090 -2.299 12.575 1.00 0.00 O ATOM 1056 CB PRO A 65 4.518 0.001 11.351 1.00 0.00 C ATOM 1057 CG PRO A 65 4.090 1.234 12.085 1.00 0.00 C ATOM 1058 CD PRO A 65 2.643 1.040 12.440 1.00 0.00 C ATOM 0 HA PRO A 65 3.199 -0.739 9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.060 -0.677 12.010 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.189 0.250 10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.693 1.381 12.981 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.221 2.120 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.523 0.549 13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.107 1.987 12.495 1.00 0.00 H new ATOM 1066 N ALA A 66 2.986 -3.030 10.453 1.00 0.00 N ATOM 1067 CA ALA A 66 2.810 -4.425 10.830 1.00 0.00 C ATOM 1068 C ALA A 66 4.087 -4.994 11.435 1.00 0.00 C ATOM 1069 O ALA A 66 4.053 -5.701 12.444 1.00 0.00 O ATOM 1070 CB ALA A 66 2.390 -5.244 9.623 1.00 0.00 C ATOM 0 H ALA A 66 3.015 -2.864 9.447 1.00 0.00 H new ATOM 0 HA ALA A 66 2.026 -4.477 11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.261 -6.286 9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.449 -4.859 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.158 -5.177 8.853 1.00 0.00 H new ATOM 1076 N SER A 67 5.206 -4.692 10.799 1.00 0.00 N ATOM 1077 CA SER A 67 6.497 -5.147 11.235 1.00 0.00 C ATOM 1078 C SER A 67 7.449 -3.982 11.411 1.00 0.00 C ATOM 1079 O SER A 67 7.349 -3.200 12.355 1.00 0.00 O ATOM 1080 CB SER A 67 7.017 -6.136 10.205 1.00 0.00 C ATOM 1081 OG SER A 67 6.173 -7.271 10.121 1.00 0.00 O ATOM 0 H SER A 67 5.234 -4.117 9.957 1.00 0.00 H new ATOM 0 HA SER A 67 6.416 -5.635 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.080 -5.652 9.230 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.027 -6.448 10.472 1.00 0.00 H new ATOM 0 HG SER A 67 6.526 -7.893 9.451 1.00 0.00 H new ATOM 1087 N ASP A 68 8.338 -3.883 10.470 1.00 0.00 N ATOM 1088 CA ASP A 68 9.306 -2.797 10.397 1.00 0.00 C ATOM 1089 C ASP A 68 9.809 -2.673 8.974 1.00 0.00 C ATOM 1090 O ASP A 68 9.708 -1.618 8.352 1.00 0.00 O ATOM 1091 CB ASP A 68 10.499 -3.057 11.321 1.00 0.00 C ATOM 1092 CG ASP A 68 11.476 -1.896 11.340 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.215 -0.901 12.046 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.504 -1.967 10.638 1.00 0.00 O ATOM 0 H ASP A 68 8.424 -4.559 9.711 1.00 0.00 H new ATOM 0 HA ASP A 68 8.813 -1.877 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.139 -3.242 12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.017 -3.960 10.997 1.00 0.00 H new ATOM 1099 N ILE A 69 10.322 -3.778 8.463 1.00 0.00 N ATOM 1100 CA ILE A 69 10.826 -3.840 7.104 1.00 0.00 C ATOM 1101 C ILE A 69 10.408 -5.136 6.424 1.00 0.00 C ATOM 1102 O ILE A 69 10.187 -6.157 7.077 1.00 0.00 O ATOM 1103 CB ILE A 69 12.363 -3.718 7.059 1.00 0.00 C ATOM 1104 CG1 ILE A 69 12.975 -4.410 8.277 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.782 -2.255 6.999 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.475 -4.592 8.190 1.00 0.00 C ATOM 0 H ILE A 69 10.401 -4.655 8.977 1.00 0.00 H new ATOM 0 HA ILE A 69 10.392 -2.995 6.570 1.00 0.00 H new ATOM 0 HB ILE A 69 12.731 -4.209 6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.741 -3.829 9.169 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.507 -5.387 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.870 -2.189 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.365 -1.793 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.412 -1.734 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.834 -5.090 9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.718 -5.200 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.955 -3.618 8.098 1.00 0.00 H new ATOM 1118 N LYS A 70 10.272 -5.062 5.118 1.00 0.00 N ATOM 1119 CA LYS A 70 9.957 -6.215 4.284 1.00 0.00 C ATOM 1120 C LYS A 70 10.974 -6.299 3.156 1.00 0.00 C ATOM 1121 O LYS A 70 11.060 -5.394 2.327 1.00 0.00 O ATOM 1122 CB LYS A 70 8.519 -6.100 3.731 1.00 0.00 C ATOM 1123 CG LYS A 70 8.317 -6.657 2.315 1.00 0.00 C ATOM 1124 CD LYS A 70 8.385 -8.178 2.246 1.00 0.00 C ATOM 1125 CE LYS A 70 7.104 -8.828 2.746 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.040 -10.273 2.389 1.00 0.00 N ATOM 0 H LYS A 70 10.377 -4.193 4.594 1.00 0.00 H new ATOM 0 HA LYS A 70 10.009 -7.128 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.843 -6.621 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.228 -5.050 3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.349 -6.327 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.077 -6.237 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.571 -8.486 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.227 -8.531 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.039 -8.718 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.244 -8.310 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.436 -10.773 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.642 -10.377 1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.997 -10.679 2.412 1.00 0.00 H new ATOM 1140 N THR A 71 11.754 -7.366 3.133 1.00 0.00 N ATOM 1141 CA THR A 71 12.781 -7.513 2.124 1.00 0.00 C ATOM 1142 C THR A 71 12.241 -8.176 0.867 1.00 0.00 C ATOM 1143 O THR A 71 12.169 -9.398 0.748 1.00 0.00 O ATOM 1144 CB THR A 71 13.971 -8.298 2.641 1.00 0.00 C ATOM 1145 OG1 THR A 71 13.530 -9.509 3.270 1.00 0.00 O ATOM 1146 CG2 THR A 71 14.778 -7.469 3.629 1.00 0.00 C ATOM 0 H THR A 71 11.694 -8.137 3.798 1.00 0.00 H new ATOM 0 HA THR A 71 13.112 -6.505 1.874 1.00 0.00 H new ATOM 0 HB THR A 71 14.609 -8.546 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.811 -9.911 2.739 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.626 -8.053 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.140 -6.567 3.136 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.146 -7.193 4.473 1.00 0.00 H new ATOM 1154 N CYS A 72 11.829 -7.336 -0.041 1.00 0.00 N ATOM 1155 CA CYS A 72 11.186 -7.766 -1.274 1.00 0.00 C ATOM 1156 C CYS A 72 12.207 -8.250 -2.295 1.00 0.00 C ATOM 1157 O CYS A 72 13.408 -7.998 -2.164 1.00 0.00 O ATOM 1158 CB CYS A 72 10.323 -6.648 -1.862 1.00 0.00 C ATOM 1159 SG CYS A 72 9.312 -7.147 -3.277 1.00 0.00 S ATOM 0 H CYS A 72 11.926 -6.324 0.044 1.00 0.00 H new ATOM 0 HA CYS A 72 10.536 -8.606 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.668 -6.263 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.972 -5.827 -2.167 1.00 0.00 H new ATOM 0 HG CYS A 72 8.490 -6.187 -3.583 1.00 0.00 H new ATOM 1165 N ASP A 73 11.715 -8.904 -3.332 1.00 0.00 N ATOM 1166 CA ASP A 73 12.552 -9.389 -4.415 1.00 0.00 C ATOM 1167 C ASP A 73 12.260 -8.635 -5.715 1.00 0.00 C ATOM 1168 O ASP A 73 12.887 -8.894 -6.739 1.00 0.00 O ATOM 1169 CB ASP A 73 12.306 -10.883 -4.626 1.00 0.00 C ATOM 1170 CG ASP A 73 10.888 -11.172 -5.081 1.00 0.00 C ATOM 1171 OD1 ASP A 73 9.934 -10.737 -4.396 1.00 0.00 O ATOM 1172 OD2 ASP A 73 10.716 -11.833 -6.120 1.00 0.00 O ATOM 0 H ASP A 73 10.724 -9.114 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 73 13.594 -9.220 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.008 -11.264 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.503 -11.417 -3.696 1.00 0.00 H new ATOM 1177 N HIS A 74 11.321 -7.688 -5.678 1.00 0.00 N ATOM 1178 CA HIS A 74 10.906 -7.002 -6.904 1.00 0.00 C ATOM 1179 C HIS A 74 11.051 -5.476 -6.835 1.00 0.00 C ATOM 1180 O HIS A 74 11.333 -4.846 -7.851 1.00 0.00 O ATOM 1181 CB HIS A 74 9.459 -7.364 -7.267 1.00 0.00 C ATOM 1182 CG HIS A 74 9.281 -8.784 -7.721 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.135 -9.512 -7.486 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.108 -9.607 -8.411 1.00 0.00 C ATOM 1185 CE1 HIS A 74 8.267 -10.718 -8.008 1.00 0.00 C ATOM 1186 NE2 HIS A 74 9.456 -10.805 -8.576 1.00 0.00 N ATOM 0 H HIS A 74 10.841 -7.383 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 74 11.586 -7.352 -7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.823 -7.188 -6.400 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.115 -6.695 -8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.099 -9.365 -8.766 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.526 -11.503 -7.976 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.828 -11.624 -9.057 1.00 0.00 H new ATOM 1195 N TYR A 75 10.864 -4.876 -5.659 1.00 0.00 N ATOM 1196 CA TYR A 75 10.851 -3.405 -5.553 1.00 0.00 C ATOM 1197 C TYR A 75 12.265 -2.820 -5.631 1.00 0.00 C ATOM 1198 O TYR A 75 12.793 -2.324 -4.637 1.00 0.00 O ATOM 1199 CB TYR A 75 10.211 -2.942 -4.237 1.00 0.00 C ATOM 1200 CG TYR A 75 8.907 -3.620 -3.867 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.034 -4.104 -4.836 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.556 -3.779 -2.532 1.00 0.00 C ATOM 1203 CE1 TYR A 75 6.851 -4.722 -4.480 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.374 -4.396 -2.170 1.00 0.00 C ATOM 1205 CZ TYR A 75 6.526 -4.867 -3.146 1.00 0.00 C ATOM 1206 OH TYR A 75 5.345 -5.483 -2.789 1.00 0.00 O ATOM 0 H TYR A 75 10.721 -5.369 -4.778 1.00 0.00 H new ATOM 0 HA TYR A 75 10.261 -3.045 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.925 -3.104 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.037 -1.868 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.285 -3.995 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.220 -3.413 -1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.182 -5.091 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.117 -4.508 -1.127 1.00 0.00 H new ATOM 0 HH TYR A 75 5.270 -5.505 -1.812 1.00 0.00 H new ATOM 1216 N GLN A 76 12.886 -2.874 -6.800 1.00 0.00 N ATOM 1217 CA GLN A 76 14.263 -2.435 -6.940 1.00 0.00 C ATOM 1218 C GLN A 76 14.375 -0.914 -6.945 1.00 0.00 C ATOM 1219 O GLN A 76 15.455 -0.369 -6.749 1.00 0.00 O ATOM 1220 CB GLN A 76 14.876 -3.007 -8.209 1.00 0.00 C ATOM 1221 CG GLN A 76 14.169 -2.558 -9.483 1.00 0.00 C ATOM 1222 CD GLN A 76 14.798 -3.109 -10.749 1.00 0.00 C ATOM 1223 OE1 GLN A 76 14.113 -3.327 -11.748 1.00 0.00 O ATOM 1224 NE2 GLN A 76 16.101 -3.332 -10.722 1.00 0.00 N ATOM 0 H GLN A 76 12.459 -3.216 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 76 14.813 -2.807 -6.076 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.924 -2.712 -8.261 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.854 -4.095 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.125 -2.870 -9.439 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.175 -1.469 -9.528 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.634 -3.138 -9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 76 16.573 -3.698 -11.549 1.00 0.00 H new ATOM 1233 N ASN A 77 13.253 -0.238 -7.153 1.00 0.00 N ATOM 1234 CA ASN A 77 13.232 1.222 -7.203 1.00 0.00 C ATOM 1235 C ASN A 77 13.246 1.819 -5.797 1.00 0.00 C ATOM 1236 O ASN A 77 13.118 3.030 -5.613 1.00 0.00 O ATOM 1237 CB ASN A 77 12.010 1.706 -7.989 1.00 0.00 C ATOM 1238 CG ASN A 77 10.708 1.170 -7.430 1.00 0.00 C ATOM 1239 OD1 ASN A 77 10.320 0.037 -7.715 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.016 1.985 -6.651 1.00 0.00 N ATOM 0 H ASN A 77 12.342 -0.676 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 77 14.132 1.562 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.984 2.796 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.108 1.399 -9.030 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.124 1.682 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.375 2.916 -6.440 1.00 0.00 H new ATOM 1247 N PHE A 78 13.396 0.951 -4.807 1.00 0.00 N ATOM 1248 CA PHE A 78 13.593 1.372 -3.431 1.00 0.00 C ATOM 1249 C PHE A 78 15.088 1.582 -3.177 1.00 0.00 C ATOM 1250 O PHE A 78 15.904 1.251 -4.035 1.00 0.00 O ATOM 1251 CB PHE A 78 13.020 0.319 -2.472 1.00 0.00 C ATOM 1252 CG PHE A 78 11.517 0.340 -2.363 1.00 0.00 C ATOM 1253 CD1 PHE A 78 10.761 1.245 -3.092 1.00 0.00 C ATOM 1254 CD2 PHE A 78 10.863 -0.544 -1.522 1.00 0.00 C ATOM 1255 CE1 PHE A 78 9.385 1.269 -2.981 1.00 0.00 C ATOM 1256 CE2 PHE A 78 9.487 -0.523 -1.405 1.00 0.00 C ATOM 1257 CZ PHE A 78 8.747 0.382 -2.138 1.00 0.00 C ATOM 0 H PHE A 78 13.384 -0.061 -4.936 1.00 0.00 H new ATOM 0 HA PHE A 78 13.069 2.312 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 78 13.336 -0.670 -2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.448 0.474 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.255 1.940 -3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.436 -1.259 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.809 1.981 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.991 -1.214 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.671 0.396 -2.052 1.00 0.00 H new ATOM 1267 N PRO A 79 15.470 2.154 -2.014 1.00 0.00 N ATOM 1268 CA PRO A 79 16.882 2.359 -1.658 1.00 0.00 C ATOM 1269 C PRO A 79 17.716 1.085 -1.802 1.00 0.00 C ATOM 1270 O PRO A 79 18.888 1.141 -2.180 1.00 0.00 O ATOM 1271 CB PRO A 79 16.829 2.787 -0.191 1.00 0.00 C ATOM 1272 CG PRO A 79 15.465 3.352 0.010 1.00 0.00 C ATOM 1273 CD PRO A 79 14.560 2.669 -0.978 1.00 0.00 C ATOM 0 HA PRO A 79 17.356 3.089 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.004 1.939 0.472 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.597 3.528 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.122 3.180 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.466 4.430 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.996 1.863 -0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.833 3.365 -1.398 1.00 0.00 H new ATOM 1281 N LEU A 80 17.084 -0.054 -1.501 1.00 0.00 N ATOM 1282 CA LEU A 80 17.715 -1.379 -1.570 1.00 0.00 C ATOM 1283 C LEU A 80 18.756 -1.550 -0.476 1.00 0.00 C ATOM 1284 O LEU A 80 19.684 -0.752 -0.338 1.00 0.00 O ATOM 1285 CB LEU A 80 18.327 -1.655 -2.953 1.00 0.00 C ATOM 1286 CG LEU A 80 17.347 -1.570 -4.111 1.00 0.00 C ATOM 1287 CD1 LEU A 80 17.910 -2.253 -5.345 1.00 0.00 C ATOM 1288 CD2 LEU A 80 16.030 -2.182 -3.702 1.00 0.00 C ATOM 0 H LEU A 80 16.110 -0.084 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 80 16.927 -2.115 -1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.135 -0.944 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.774 -2.649 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 80 17.183 -0.523 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 80 17.191 -2.180 -6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.841 -1.767 -5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 80 18.102 -3.303 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 80 15.327 -2.121 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 80 16.183 -3.227 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.628 -1.641 -2.846 1.00 0.00 H new ATOM 1300 N TYR A 81 18.584 -2.601 0.300 1.00 0.00 N ATOM 1301 CA TYR A 81 19.423 -2.854 1.451 1.00 0.00 C ATOM 1302 C TYR A 81 20.753 -3.441 1.003 1.00 0.00 C ATOM 1303 O TYR A 81 20.815 -4.181 0.021 1.00 0.00 O ATOM 1304 CB TYR A 81 18.695 -3.814 2.394 1.00 0.00 C ATOM 1305 CG TYR A 81 19.218 -3.836 3.812 1.00 0.00 C ATOM 1306 CD1 TYR A 81 19.003 -2.763 4.668 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.901 -4.940 4.304 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.453 -2.790 5.972 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.359 -4.973 5.608 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.132 -3.894 6.436 1.00 0.00 C ATOM 1311 OH TYR A 81 20.569 -3.927 7.743 1.00 0.00 O ATOM 0 H TYR A 81 17.859 -3.302 0.150 1.00 0.00 H new ATOM 0 HA TYR A 81 19.625 -1.921 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.639 -3.546 2.416 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.760 -4.822 1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.475 -1.893 4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.077 -5.787 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.273 -1.949 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.891 -5.838 5.976 1.00 0.00 H new ATOM 0 HH TYR A 81 21.029 -4.775 7.913 1.00 0.00 H new ATOM 1321 N LEU A 82 21.816 -3.076 1.697 1.00 0.00 N ATOM 1322 CA LEU A 82 23.135 -3.602 1.402 1.00 0.00 C ATOM 1323 C LEU A 82 23.599 -4.518 2.521 1.00 0.00 C ATOM 1324 O LEU A 82 24.240 -4.077 3.475 1.00 0.00 O ATOM 1325 CB LEU A 82 24.143 -2.467 1.198 1.00 0.00 C ATOM 1326 CG LEU A 82 24.537 -2.195 -0.256 1.00 0.00 C ATOM 1327 CD1 LEU A 82 25.213 -3.418 -0.856 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.321 -1.791 -1.079 1.00 0.00 C ATOM 0 H LEU A 82 21.790 -2.414 2.473 1.00 0.00 H new ATOM 0 HA LEU A 82 23.073 -4.176 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.726 -1.553 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.045 -2.698 1.764 1.00 0.00 H new ATOM 0 HG LEU A 82 25.244 -1.366 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 82 25.488 -3.211 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.109 -3.656 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 82 24.527 -4.265 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.625 -1.603 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.585 -2.595 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.882 -0.886 -0.659 1.00 0.00 H new ATOM 1340 N GLY A 83 23.243 -5.788 2.420 1.00 0.00 N ATOM 1341 CA GLY A 83 23.673 -6.756 3.407 1.00 0.00 C ATOM 1342 C GLY A 83 24.887 -7.531 2.941 1.00 0.00 C ATOM 1343 O GLY A 83 25.251 -8.548 3.530 1.00 0.00 O ATOM 0 H GLY A 83 22.663 -6.167 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.905 -6.244 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.858 -7.449 3.616 1.00 0.00 H new ATOM 1347 N GLY A 84 25.516 -7.039 1.883 1.00 0.00 N ATOM 1348 CA GLY A 84 26.645 -7.731 1.296 1.00 0.00 C ATOM 1349 C GLY A 84 26.195 -8.750 0.274 1.00 0.00 C ATOM 1350 O GLY A 84 25.532 -9.725 0.632 1.00 0.00 O ATOM 0 H GLY A 84 25.262 -6.167 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 84 27.311 -7.009 0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 84 27.217 -8.227 2.080 1.00 0.00 H new ATOM 1354 N GLU A 85 26.556 -8.516 -0.989 1.00 0.00 N ATOM 1355 CA GLU A 85 26.107 -9.328 -2.120 1.00 0.00 C ATOM 1356 C GLU A 85 24.617 -9.127 -2.378 1.00 0.00 C ATOM 1357 O GLU A 85 24.212 -8.662 -3.443 1.00 0.00 O ATOM 1358 CB GLU A 85 26.395 -10.803 -1.869 1.00 0.00 C ATOM 1359 CG GLU A 85 26.040 -11.708 -3.039 1.00 0.00 C ATOM 1360 CD GLU A 85 26.132 -13.177 -2.693 1.00 0.00 C ATOM 1361 OE1 GLU A 85 27.227 -13.636 -2.301 1.00 0.00 O ATOM 1362 OE2 GLU A 85 25.108 -13.879 -2.811 1.00 0.00 O ATOM 0 H GLU A 85 27.174 -7.750 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 85 26.659 -9.005 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 85 27.454 -10.922 -1.638 1.00 0.00 H new ATOM 0 HB3 GLU A 85 25.839 -11.127 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 85 25.028 -11.481 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 85 26.707 -11.494 -3.874 1.00 0.00 H new ATOM 1369 N THR A 86 23.817 -9.483 -1.392 1.00 0.00 N ATOM 1370 CA THR A 86 22.372 -9.347 -1.467 1.00 0.00 C ATOM 1371 C THR A 86 21.952 -7.878 -1.529 1.00 0.00 C ATOM 1372 O THR A 86 22.537 -7.015 -0.866 1.00 0.00 O ATOM 1373 CB THR A 86 21.683 -10.037 -0.261 1.00 0.00 C ATOM 1374 OG1 THR A 86 20.269 -9.804 -0.282 1.00 0.00 O ATOM 1375 CG2 THR A 86 22.264 -9.550 1.059 1.00 0.00 C ATOM 0 H THR A 86 24.150 -9.876 -0.512 1.00 0.00 H new ATOM 0 HA THR A 86 22.051 -9.839 -2.385 1.00 0.00 H new ATOM 0 HB THR A 86 21.868 -11.108 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 86 19.853 -10.248 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.761 -10.052 1.885 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.330 -9.776 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.118 -8.473 1.146 1.00 0.00 H new ATOM 1383 N HIS A 87 20.967 -7.605 -2.375 1.00 0.00 N ATOM 1384 CA HIS A 87 20.336 -6.294 -2.454 1.00 0.00 C ATOM 1385 C HIS A 87 18.838 -6.467 -2.326 1.00 0.00 C ATOM 1386 O HIS A 87 18.109 -6.473 -3.321 1.00 0.00 O ATOM 1387 CB HIS A 87 20.672 -5.572 -3.764 1.00 0.00 C ATOM 1388 CG HIS A 87 22.093 -5.104 -3.859 1.00 0.00 C ATOM 1389 ND1 HIS A 87 22.439 -3.778 -4.012 1.00 0.00 N ATOM 1390 CD2 HIS A 87 23.259 -5.791 -3.835 1.00 0.00 C ATOM 1391 CE1 HIS A 87 23.753 -3.674 -4.075 1.00 0.00 C ATOM 1392 NE2 HIS A 87 24.274 -4.882 -3.971 1.00 0.00 N ATOM 0 H HIS A 87 20.582 -8.288 -3.027 1.00 0.00 H new ATOM 0 HA HIS A 87 20.719 -5.677 -1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 87 20.465 -6.242 -4.599 1.00 0.00 H new ATOM 0 HB3 HIS A 87 20.010 -4.713 -3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.369 -6.860 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 87 24.308 -2.755 -4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 87 25.270 -5.102 -3.989 1.00 0.00 H new ATOM 1401 N GLU A 88 18.387 -6.646 -1.099 1.00 0.00 N ATOM 1402 CA GLU A 88 16.986 -6.890 -0.847 1.00 0.00 C ATOM 1403 C GLU A 88 16.216 -5.600 -0.969 1.00 0.00 C ATOM 1404 O GLU A 88 16.647 -4.538 -0.511 1.00 0.00 O ATOM 1405 CB GLU A 88 16.743 -7.551 0.515 1.00 0.00 C ATOM 1406 CG GLU A 88 17.535 -6.955 1.660 1.00 0.00 C ATOM 1407 CD GLU A 88 18.954 -7.484 1.715 1.00 0.00 C ATOM 1408 OE1 GLU A 88 19.158 -8.581 2.271 1.00 0.00 O ATOM 1409 OE2 GLU A 88 19.862 -6.822 1.181 1.00 0.00 O ATOM 0 H GLU A 88 18.973 -6.626 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 88 16.629 -7.595 -1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.681 -7.483 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.985 -8.611 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.558 -5.870 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.031 -7.175 2.601 1.00 0.00 H new ATOM 1416 N HIS A 89 15.080 -5.701 -1.608 1.00 0.00 N ATOM 1417 CA HIS A 89 14.298 -4.545 -1.959 1.00 0.00 C ATOM 1418 C HIS A 89 13.321 -4.251 -0.831 1.00 0.00 C ATOM 1419 O HIS A 89 12.186 -4.701 -0.854 1.00 0.00 O ATOM 1420 CB HIS A 89 13.569 -4.824 -3.280 1.00 0.00 C ATOM 1421 CG HIS A 89 14.465 -5.393 -4.350 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.318 -4.625 -5.101 1.00 0.00 N ATOM 1423 CD2 HIS A 89 14.664 -6.665 -4.761 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.005 -5.391 -5.920 1.00 0.00 C ATOM 1425 NE2 HIS A 89 15.627 -6.637 -5.737 1.00 0.00 N ATOM 0 H HIS A 89 14.670 -6.588 -1.900 1.00 0.00 H new ATOM 0 HA HIS A 89 14.933 -3.670 -2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 89 12.750 -5.519 -3.095 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.124 -3.898 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.157 -7.543 -4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.752 -5.054 -6.623 1.00 0.00 H new ATOM 0 HE2 HIS A 89 15.990 -7.448 -6.238 1.00 0.00 H new ATOM 1434 N TYR A 90 13.774 -3.513 0.165 1.00 0.00 N ATOM 1435 CA TYR A 90 13.042 -3.429 1.418 1.00 0.00 C ATOM 1436 C TYR A 90 12.163 -2.189 1.497 1.00 0.00 C ATOM 1437 O TYR A 90 12.559 -1.091 1.100 1.00 0.00 O ATOM 1438 CB TYR A 90 14.008 -3.480 2.611 1.00 0.00 C ATOM 1439 CG TYR A 90 14.777 -2.199 2.872 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.707 -1.713 1.962 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.572 -1.483 4.042 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.414 -0.552 2.215 1.00 0.00 C ATOM 1443 CE2 TYR A 90 15.270 -0.321 4.302 1.00 0.00 C ATOM 1444 CZ TYR A 90 16.189 0.142 3.386 1.00 0.00 C ATOM 1445 OH TYR A 90 16.900 1.293 3.647 1.00 0.00 O ATOM 0 H TYR A 90 14.636 -2.968 0.134 1.00 0.00 H new ATOM 0 HA TYR A 90 12.379 -4.293 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.441 -3.734 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.722 -4.287 2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.881 -2.251 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.853 -1.841 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.138 -0.190 1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.097 0.223 5.219 1.00 0.00 H new ATOM 0 HH TYR A 90 16.622 1.661 4.512 1.00 0.00 H new ATOM 1455 N GLY A 91 10.955 -2.399 1.998 1.00 0.00 N ATOM 1456 CA GLY A 91 10.021 -1.317 2.231 1.00 0.00 C ATOM 1457 C GLY A 91 9.355 -1.457 3.586 1.00 0.00 C ATOM 1458 O GLY A 91 9.634 -2.411 4.318 1.00 0.00 O ATOM 0 H GLY A 91 10.599 -3.321 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.544 -0.362 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.263 -1.311 1.448 1.00 0.00 H new ATOM 1462 N ILE A 92 8.470 -0.529 3.923 1.00 0.00 N ATOM 1463 CA ILE A 92 7.829 -0.533 5.235 1.00 0.00 C ATOM 1464 C ILE A 92 6.452 -1.204 5.164 1.00 0.00 C ATOM 1465 O ILE A 92 5.565 -0.735 4.444 1.00 0.00 O ATOM 1466 CB ILE A 92 7.676 0.901 5.792 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.992 1.681 5.658 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.233 0.865 7.251 1.00 0.00 C ATOM 1469 CD1 ILE A 92 10.166 1.045 6.376 1.00 0.00 C ATOM 0 H ILE A 92 8.179 0.233 3.311 1.00 0.00 H new ATOM 0 HA ILE A 92 8.472 -1.100 5.908 1.00 0.00 H new ATOM 0 HB ILE A 92 6.911 1.411 5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.237 1.779 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.845 2.689 6.046 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.131 1.884 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.274 0.352 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.977 0.333 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 92 11.056 1.658 6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.945 0.971 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 92 10.343 0.048 5.972 1.00 0.00 H new ATOM 1481 N PRO A 93 6.262 -2.318 5.897 1.00 0.00 N ATOM 1482 CA PRO A 93 5.011 -3.082 5.898 1.00 0.00 C ATOM 1483 C PRO A 93 3.919 -2.457 6.767 1.00 0.00 C ATOM 1484 O PRO A 93 4.159 -2.064 7.911 1.00 0.00 O ATOM 1485 CB PRO A 93 5.410 -4.453 6.472 1.00 0.00 C ATOM 1486 CG PRO A 93 6.888 -4.396 6.693 1.00 0.00 C ATOM 1487 CD PRO A 93 7.256 -2.943 6.771 1.00 0.00 C ATOM 0 HA PRO A 93 4.586 -3.124 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.884 -4.653 7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.150 -5.255 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.162 -4.915 7.612 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.420 -4.887 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.196 -2.563 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.273 -2.763 6.423 1.00 0.00 H new ATOM 1495 N HIS A 94 2.720 -2.376 6.210 1.00 0.00 N ATOM 1496 CA HIS A 94 1.548 -1.869 6.918 1.00 0.00 C ATOM 1497 C HIS A 94 0.363 -2.776 6.632 1.00 0.00 C ATOM 1498 O HIS A 94 0.458 -3.672 5.791 1.00 0.00 O ATOM 1499 CB HIS A 94 1.193 -0.451 6.459 1.00 0.00 C ATOM 1500 CG HIS A 94 2.298 0.543 6.603 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.352 0.610 5.727 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.499 1.527 7.510 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.154 1.588 6.084 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.663 2.167 7.164 1.00 0.00 N ATOM 0 H HIS A 94 2.529 -2.661 5.249 1.00 0.00 H new ATOM 0 HA HIS A 94 1.777 -1.849 7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.888 -0.487 5.413 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.332 -0.103 7.030 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.491 -0.003 4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.862 1.764 8.349 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.065 1.871 5.577 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.754 -2.517 7.290 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.955 -3.280 7.033 1.00 0.00 C ATOM 1515 C GLY A 95 -3.130 -2.770 7.832 1.00 0.00 C ATOM 1516 O GLY A 95 -2.955 -2.116 8.862 1.00 0.00 O ATOM 0 H GLY A 95 -0.851 -1.790 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.192 -3.235 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.778 -4.328 7.276 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.328 -3.078 7.363 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.549 -2.565 7.967 1.00 0.00 C ATOM 1522 C PHE A 96 -6.616 -3.646 7.990 1.00 0.00 C ATOM 1523 O PHE A 96 -6.333 -4.804 7.702 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.062 -1.349 7.185 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.139 -0.165 7.228 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -5.226 0.758 8.256 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.182 0.020 6.244 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -4.377 1.844 8.302 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.328 1.105 6.287 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.427 2.018 7.316 1.00 0.00 C ATOM 0 H PHE A 96 -4.482 -3.686 6.559 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.326 -2.260 8.989 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.219 -1.637 6.146 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.033 -1.055 7.584 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.967 0.626 9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.103 -0.691 5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -4.455 2.558 9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.584 1.238 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.762 2.868 7.350 1.00 0.00 H new ATOM 1540 N SER A 97 -7.844 -3.254 8.272 1.00 0.00 N ATOM 1541 CA SER A 97 -8.938 -4.206 8.401 1.00 0.00 C ATOM 1542 C SER A 97 -10.269 -3.541 8.052 1.00 0.00 C ATOM 1543 O SER A 97 -11.344 -4.067 8.339 1.00 0.00 O ATOM 1544 CB SER A 97 -8.973 -4.733 9.836 1.00 0.00 C ATOM 1545 OG SER A 97 -8.884 -3.660 10.761 1.00 0.00 O ATOM 0 H SER A 97 -8.112 -2.281 8.417 1.00 0.00 H new ATOM 0 HA SER A 97 -8.780 -5.034 7.710 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.895 -5.290 10.003 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.148 -5.428 9.995 1.00 0.00 H new ATOM 0 HG SER A 97 -8.909 -4.013 11.675 1.00 0.00 H new ATOM 1551 N SER A 98 -10.182 -2.380 7.414 1.00 0.00 N ATOM 1552 CA SER A 98 -11.355 -1.659 6.946 1.00 0.00 C ATOM 1553 C SER A 98 -10.971 -0.783 5.761 1.00 0.00 C ATOM 1554 O SER A 98 -9.983 -0.049 5.818 1.00 0.00 O ATOM 1555 CB SER A 98 -11.958 -0.813 8.069 1.00 0.00 C ATOM 1556 OG SER A 98 -12.426 -1.633 9.130 1.00 0.00 O ATOM 0 H SER A 98 -9.298 -1.915 7.208 1.00 0.00 H new ATOM 0 HA SER A 98 -12.111 -2.378 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.209 -0.116 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.781 -0.215 7.677 1.00 0.00 H new ATOM 0 HG SER A 98 -12.245 -2.573 8.921 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.744 -0.886 4.687 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.455 -0.171 3.446 1.00 0.00 C ATOM 1564 C ARG A 99 -11.455 1.336 3.678 1.00 0.00 C ATOM 1565 O ARG A 99 -10.529 2.036 3.273 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.487 -0.527 2.370 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.940 -1.979 2.407 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.889 -2.302 1.265 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.175 -2.686 0.049 1.00 0.00 N ATOM 1570 CZ ARG A 99 -13.415 -2.176 -1.157 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.323 -1.220 -1.320 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -12.745 -2.638 -2.202 1.00 0.00 N ATOM 0 H ARG A 99 -12.584 -1.463 4.649 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.465 -0.474 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.358 0.118 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.063 -0.314 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.070 -2.633 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.433 -2.182 3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.554 -3.111 1.565 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.516 -1.434 1.058 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.444 -3.392 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.844 -0.870 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.499 -0.836 -2.249 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.053 -3.377 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.921 -2.255 -3.131 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.497 1.818 4.346 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.671 3.245 4.602 1.00 0.00 C ATOM 1588 C ILE A 100 -11.502 3.804 5.429 1.00 0.00 C ATOM 1589 O ILE A 100 -11.100 4.953 5.256 1.00 0.00 O ATOM 1590 CB ILE A 100 -14.034 3.505 5.306 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.467 4.977 5.189 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.989 3.074 6.766 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.856 5.912 6.216 1.00 0.00 C ATOM 0 H ILE A 100 -13.243 1.234 4.724 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.675 3.769 3.646 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.780 2.899 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.208 5.337 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.552 5.028 5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.955 3.268 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.765 2.009 6.824 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.215 3.637 7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.223 6.925 6.050 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.135 5.585 7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.770 5.899 6.120 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.938 2.975 6.301 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.829 3.401 7.144 1.00 0.00 C ATOM 1607 C ALA A 101 -8.578 3.612 6.304 1.00 0.00 C ATOM 1608 O ALA A 101 -7.954 4.675 6.358 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.573 2.385 8.245 1.00 0.00 C ATOM 0 H ALA A 101 -11.230 2.008 6.442 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.093 4.349 7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.741 2.721 8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.466 2.284 8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.328 1.421 7.800 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.231 2.598 5.516 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.110 2.688 4.590 1.00 0.00 C ATOM 1617 C LEU A 102 -7.293 3.889 3.672 1.00 0.00 C ATOM 1618 O LEU A 102 -6.353 4.641 3.419 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.008 1.398 3.768 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.019 1.428 2.597 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.600 1.664 3.090 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.099 0.131 1.803 1.00 0.00 C ATOM 0 H LEU A 102 -8.715 1.700 5.502 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.187 2.816 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.725 0.585 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.997 1.160 3.377 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.291 2.256 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.918 1.681 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.551 2.619 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.313 0.862 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.391 0.167 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.855 -0.709 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.109 0.005 1.412 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.525 4.063 3.215 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.903 5.165 2.345 1.00 0.00 C ATOM 1636 C GLU A 103 -8.474 6.504 2.948 1.00 0.00 C ATOM 1637 O GLU A 103 -7.781 7.294 2.305 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.421 5.124 2.146 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.918 5.785 0.872 1.00 0.00 C ATOM 1640 CD GLU A 103 -10.970 7.295 0.946 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.382 7.831 1.993 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -10.646 7.953 -0.068 1.00 0.00 O ATOM 0 H GLU A 103 -9.297 3.436 3.441 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.400 5.064 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.745 4.083 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.898 5.608 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.269 5.493 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.915 5.408 0.643 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.854 6.736 4.199 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.578 8.007 4.852 1.00 0.00 C ATOM 1651 C ARG A 104 -7.094 8.188 5.150 1.00 0.00 C ATOM 1652 O ARG A 104 -6.581 9.306 5.107 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.370 8.145 6.147 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.873 8.038 5.967 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.605 8.655 7.144 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.276 10.071 7.298 1.00 0.00 N ATOM 1657 CZ ARG A 104 -11.073 10.670 8.471 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.192 9.986 9.603 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.753 11.958 8.509 1.00 0.00 N ATOM 0 H ARG A 104 -9.353 6.061 4.779 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.887 8.785 4.154 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.042 7.374 6.845 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.137 9.107 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.169 8.540 5.046 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.157 6.991 5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.680 8.544 7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.345 8.119 8.057 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.197 10.637 6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.440 8.997 9.578 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.035 10.450 10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.663 12.487 7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.597 12.419 9.406 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.406 7.097 5.463 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.989 7.166 5.776 1.00 0.00 C ATOM 1675 C TYR A 105 -4.161 7.424 4.525 1.00 0.00 C ATOM 1676 O TYR A 105 -3.143 8.110 4.584 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.543 5.898 6.499 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.987 5.875 7.944 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.585 6.873 8.820 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.817 4.875 8.429 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -4.993 6.874 10.139 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -6.234 4.867 9.747 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.819 5.869 10.598 1.00 0.00 C ATOM 1684 OH TYR A 105 -6.226 5.865 11.912 1.00 0.00 O ATOM 0 H TYR A 105 -6.806 6.160 5.506 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.823 8.009 6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.947 5.027 5.983 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.457 5.820 6.454 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.941 7.663 8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -6.143 4.088 7.765 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.667 7.657 10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.881 4.081 10.108 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.805 5.091 12.073 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.603 6.887 3.394 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.001 7.224 2.107 1.00 0.00 C ATOM 1696 C LEU A 106 -4.145 8.719 1.854 1.00 0.00 C ATOM 1697 O LEU A 106 -3.223 9.377 1.378 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.672 6.445 0.976 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.496 4.927 1.034 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.335 4.257 -0.042 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.029 4.554 0.878 1.00 0.00 C ATOM 0 H LEU A 106 -5.372 6.219 3.340 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.945 6.955 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.738 6.671 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.277 6.804 0.026 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.837 4.575 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.200 3.177 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.386 4.499 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.021 4.614 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.923 3.470 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.662 4.916 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.451 5.008 1.683 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.313 9.238 2.206 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.634 10.652 2.050 1.00 0.00 C ATOM 1715 C ASN A 107 -4.771 11.532 2.949 1.00 0.00 C ATOM 1716 O ASN A 107 -4.440 12.663 2.603 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.110 10.874 2.371 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.022 10.408 1.252 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.652 10.437 0.078 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -9.218 9.968 1.606 1.00 0.00 N ATOM 0 H ASN A 107 -6.070 8.687 2.611 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.428 10.934 1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.364 10.342 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.283 11.934 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.871 9.637 0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.488 9.960 2.590 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.435 11.023 4.119 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.567 11.754 5.023 1.00 0.00 C ATOM 1729 C GLY A 108 -2.101 11.642 4.640 1.00 0.00 C ATOM 1730 O GLY A 108 -1.338 12.602 4.765 1.00 0.00 O ATOM 0 H GLY A 108 -4.746 10.115 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.858 12.804 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.704 11.378 6.037 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.712 10.465 4.167 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.320 10.187 3.842 1.00 0.00 C ATOM 1736 C LEU A 109 0.064 10.758 2.478 1.00 0.00 C ATOM 1737 O LEU A 109 1.069 11.451 2.355 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.068 8.674 3.881 1.00 0.00 C ATOM 1739 CG LEU A 109 1.381 8.234 3.668 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.296 8.890 4.690 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.489 6.720 3.760 1.00 0.00 C ATOM 0 H LEU A 109 -2.346 9.684 3.999 1.00 0.00 H new ATOM 0 HA LEU A 109 0.306 10.675 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.405 8.294 4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.687 8.202 3.118 1.00 0.00 H new ATOM 0 HG LEU A 109 1.695 8.550 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.322 8.564 4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.238 9.974 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.984 8.603 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.525 6.419 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.158 6.391 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.862 6.263 2.995 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.742 10.474 1.460 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.422 10.893 0.098 1.00 0.00 C ATOM 1755 C PHE A 110 -1.470 11.859 -0.451 1.00 0.00 C ATOM 1756 O PHE A 110 -1.469 12.168 -1.645 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.316 9.678 -0.831 1.00 0.00 C ATOM 1758 CG PHE A 110 0.779 8.715 -0.469 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.109 9.100 -0.523 1.00 0.00 C ATOM 1760 CD2 PHE A 110 0.477 7.421 -0.075 1.00 0.00 C ATOM 1761 CE1 PHE A 110 3.116 8.214 -0.195 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.479 6.529 0.254 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.801 6.928 0.197 1.00 0.00 C ATOM 0 H PHE A 110 -1.617 9.958 1.550 1.00 0.00 H new ATOM 0 HA PHE A 110 0.539 11.407 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.268 9.147 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.153 10.028 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.361 10.106 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -0.555 7.106 -0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.149 8.526 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 110 1.230 5.522 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 110 3.587 6.235 0.459 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.343 12.356 0.420 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.416 13.247 -0.011 1.00 0.00 C ATOM 1775 C GLY A 111 -2.925 14.646 -0.331 1.00 0.00 C ATOM 1776 O GLY A 111 -3.708 15.540 -0.661 1.00 0.00 O ATOM 0 H GLY A 111 -2.330 12.159 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.900 12.826 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.173 13.302 0.772 1.00 0.00 H new ATOM 1780 N ASP A 112 -1.619 14.830 -0.243 1.00 0.00 N ATOM 1781 CA ASP A 112 -0.983 16.090 -0.609 1.00 0.00 C ATOM 1782 C ASP A 112 -0.765 16.141 -2.101 1.00 0.00 C ATOM 1783 O ASP A 112 -0.167 17.068 -2.648 1.00 0.00 O ATOM 1784 CB ASP A 112 0.341 16.210 0.098 1.00 0.00 C ATOM 1785 CG ASP A 112 0.182 16.419 1.590 1.00 0.00 C ATOM 1786 OD1 ASP A 112 -0.469 17.405 1.988 1.00 0.00 O ATOM 1787 OD2 ASP A 112 0.692 15.591 2.373 1.00 0.00 O ATOM 0 H ASP A 112 -0.969 14.115 0.083 1.00 0.00 H new ATOM 0 HA ASP A 112 -1.630 16.916 -0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.928 15.309 -0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 112 0.902 17.043 -0.325 1.00 0.00 H new TER 1792 ASP A 112