USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 869 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 114 ASN :FLIP amide:sc= -0.689 F(o=-3.1!,f=-0.67) USER MOD Set 1.2: A 117 HIS : no HD1:sc= 0.0233 K(o=-0.67,f=-2.1) USER MOD Set 2.1: A 115 THR OG1 : rot 91:sc= 0.362 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.873 K(o=1.2,f=-0.73) USER MOD Set 3.1: A 80 GLN : amide:sc= -0.93 X(o=-2.1,f=-2!) USER MOD Set 3.2: A 83 HIS : no HE2:sc= -1.17 K(o=-2.1,f=-6.7!) USER MOD Set 4.1: A 74 LYS NZ :NH3+ -114:sc= -0.037 (180deg=-0.264) USER MOD Set 4.2: A 76 ASN : amide:sc= -1.28! C(o=-1.3!,f=-5.3!) USER MOD Set 5.1: A 73 GLN :FLIP amide:sc= 0 F(o=-0.66,f=-0.063) USER MOD Set 5.2: A 90 ASN :FLIP amide:sc= -0.0631 F(o=-0.66,f=-0.063) USER MOD Set 6.1: A 68 GLN :FLIP amide:sc= -0.247 F(o=-8.2!,f=-3.7) USER MOD Set 6.2: A 71 SER OG : rot 79:sc= -3.46! USER MOD Single : A 27 MET CE :methyl -161:sc= -0.221 (180deg=-0.863) USER MOD Single : A 29 GLN :FLIP amide:sc= -3.13! C(o=-12!,f=-3.1!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0987 X(o=-0.099,f=-0.099) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -168:sc= -1.62 (180deg=-2.24) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -70:sc= -6.7! USER MOD Single : A 65 ASN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ -135:sc= -1.1 (180deg=-1.79!) USER MOD Single : A 81 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.69) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -3.75! C(o=-3.7!,f=-5.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.00067) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.018) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.062) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot -22:sc= 0.843 USER MOD Single : A 123 THR OG1 : rot 71:sc= 0.911 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -3.31! C(o=-3.3!,f=-6.9!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot -60:sc= 1.11 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -14.206 -7.491 -8.562 1.00 0.00 N ATOM 2 CA MET A 27 -14.581 -8.178 -9.825 1.00 0.00 C ATOM 3 C MET A 27 -13.941 -7.508 -11.046 1.00 0.00 C ATOM 4 O MET A 27 -13.345 -8.185 -11.883 1.00 0.00 O ATOM 5 CB MET A 27 -16.107 -8.175 -9.951 1.00 0.00 C ATOM 6 CG MET A 27 -16.813 -8.889 -8.811 1.00 0.00 C ATOM 7 SD MET A 27 -18.609 -8.859 -8.977 1.00 0.00 S ATOM 8 CE MET A 27 -18.923 -7.095 -8.943 1.00 0.00 C ATOM 0 HA MET A 27 -14.210 -9.202 -9.792 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.457 -7.144 -9.995 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.386 -8.647 -10.893 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.473 -9.924 -8.770 1.00 0.00 H new ATOM 0 HG3 MET A 27 -16.532 -8.423 -7.866 1.00 0.00 H new ATOM 0 HE1 MET A 27 -19.970 -6.916 -8.698 1.00 0.00 H new ATOM 0 HE2 MET A 27 -18.289 -6.627 -8.190 1.00 0.00 H new ATOM 0 HE3 MET A 27 -18.701 -6.667 -9.921 1.00 0.00 H new ATOM 20 N PRO A 28 -14.049 -6.167 -11.171 1.00 0.00 N ATOM 21 CA PRO A 28 -13.465 -5.438 -12.304 1.00 0.00 C ATOM 22 C PRO A 28 -11.941 -5.479 -12.293 1.00 0.00 C ATOM 23 O PRO A 28 -11.307 -5.713 -13.322 1.00 0.00 O ATOM 24 CB PRO A 28 -13.962 -4.003 -12.103 1.00 0.00 C ATOM 25 CG PRO A 28 -14.243 -3.901 -10.645 1.00 0.00 C ATOM 26 CD PRO A 28 -14.734 -5.259 -10.230 1.00 0.00 C ATOM 0 HA PRO A 28 -13.757 -5.872 -13.260 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.211 -3.277 -12.413 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.857 -3.808 -12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.346 -3.623 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.992 -3.135 -10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.475 -5.482 -9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.818 -5.338 -10.312 1.00 0.00 H new ATOM 34 N GLN A 29 -11.363 -5.249 -11.119 1.00 0.00 N ATOM 35 CA GLN A 29 -9.913 -5.256 -10.960 1.00 0.00 C ATOM 36 C GLN A 29 -9.319 -6.613 -11.312 1.00 0.00 C ATOM 37 O GLN A 29 -9.967 -7.649 -11.158 1.00 0.00 O ATOM 38 CB GLN A 29 -9.530 -4.880 -9.529 1.00 0.00 C ATOM 39 CG GLN A 29 -9.785 -3.420 -9.195 1.00 0.00 C ATOM 40 CD GLN A 29 -8.893 -2.465 -9.970 1.00 0.00 C ATOM 41 OE1 GLN A 29 -7.979 -3.007 -10.775 1.00 0.00 O flip ATOM 42 NE2 GLN A 29 -9.018 -1.247 -9.843 1.00 0.00 N flip ATOM 0 H GLN A 29 -11.879 -5.055 -10.261 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.505 -4.516 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.091 -5.506 -8.835 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.474 -5.100 -9.375 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.828 -3.183 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.630 -3.266 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.730 -0.870 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.410 -0.615 -10.364 1.00 0.00 H new ATOM 51 N THR A 30 -8.076 -6.595 -11.783 1.00 0.00 N ATOM 52 CA THR A 30 -7.379 -7.815 -12.158 1.00 0.00 C ATOM 53 C THR A 30 -5.873 -7.583 -12.226 1.00 0.00 C ATOM 54 O THR A 30 -5.091 -8.399 -11.737 1.00 0.00 O ATOM 55 CB THR A 30 -7.873 -8.356 -13.514 1.00 0.00 C ATOM 56 OG1 THR A 30 -7.121 -9.518 -13.883 1.00 0.00 O ATOM 57 CG2 THR A 30 -7.749 -7.299 -14.601 1.00 0.00 C ATOM 0 H THR A 30 -7.531 -5.743 -11.914 1.00 0.00 H new ATOM 0 HA THR A 30 -7.596 -8.555 -11.387 1.00 0.00 H new ATOM 0 HB THR A 30 -8.925 -8.622 -13.409 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.443 -9.856 -14.745 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.104 -7.707 -15.547 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.349 -6.429 -14.333 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.705 -7.003 -14.703 1.00 0.00 H new ATOM 65 N GLU A 31 -5.475 -6.463 -12.829 1.00 0.00 N ATOM 66 CA GLU A 31 -4.060 -6.121 -12.959 1.00 0.00 C ATOM 67 C GLU A 31 -3.876 -4.827 -13.749 1.00 0.00 C ATOM 68 O GLU A 31 -2.960 -4.049 -13.480 1.00 0.00 O ATOM 69 CB GLU A 31 -3.295 -7.256 -13.647 1.00 0.00 C ATOM 70 CG GLU A 31 -1.805 -6.988 -13.800 1.00 0.00 C ATOM 71 CD GLU A 31 -1.084 -6.879 -12.469 1.00 0.00 C ATOM 72 OE1 GLU A 31 -1.738 -7.055 -11.419 1.00 0.00 O ATOM 73 OE2 GLU A 31 0.139 -6.623 -12.476 1.00 0.00 O ATOM 0 H GLU A 31 -6.113 -5.778 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.661 -5.975 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.433 -8.173 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.727 -7.427 -14.633 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.355 -7.789 -14.386 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.663 -6.064 -14.361 1.00 0.00 H new ATOM 80 N ARG A 32 -4.741 -4.613 -14.735 1.00 0.00 N ATOM 81 CA ARG A 32 -4.664 -3.425 -15.580 1.00 0.00 C ATOM 82 C ARG A 32 -5.174 -2.183 -14.855 1.00 0.00 C ATOM 83 O ARG A 32 -4.477 -1.171 -14.769 1.00 0.00 O ATOM 84 CB ARG A 32 -5.466 -3.642 -16.865 1.00 0.00 C ATOM 85 CG ARG A 32 -5.394 -2.476 -17.841 1.00 0.00 C ATOM 86 CD ARG A 32 -3.971 -2.234 -18.321 1.00 0.00 C ATOM 87 NE ARG A 32 -3.896 -1.150 -19.297 1.00 0.00 N ATOM 88 CZ ARG A 32 -4.219 0.113 -19.030 1.00 0.00 C ATOM 89 NH1 ARG A 32 -4.625 0.456 -17.815 1.00 0.00 N ATOM 90 NH2 ARG A 32 -4.132 1.035 -19.979 1.00 0.00 N ATOM 0 H ARG A 32 -5.505 -5.247 -14.969 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.615 -3.262 -15.827 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.102 -4.542 -17.361 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.509 -3.821 -16.605 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.038 -2.677 -18.697 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.775 -1.575 -17.361 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.337 -1.997 -17.467 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.578 -3.149 -18.765 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.577 -1.374 -20.239 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.691 -0.249 -17.081 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.872 1.425 -17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.817 0.776 -20.914 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.380 2.003 -19.774 1.00 0.00 H new ATOM 104 N GLN A 33 -6.397 -2.263 -14.343 1.00 0.00 N ATOM 105 CA GLN A 33 -7.007 -1.144 -13.633 1.00 0.00 C ATOM 106 C GLN A 33 -6.233 -0.802 -12.362 1.00 0.00 C ATOM 107 O GLN A 33 -6.217 0.348 -11.929 1.00 0.00 O ATOM 108 CB GLN A 33 -8.464 -1.460 -13.293 1.00 0.00 C ATOM 109 CG GLN A 33 -9.331 -1.724 -14.514 1.00 0.00 C ATOM 110 CD GLN A 33 -9.382 -0.541 -15.460 1.00 0.00 C ATOM 111 OE1 GLN A 33 -9.813 0.549 -15.087 1.00 0.00 O ATOM 112 NE2 GLN A 33 -8.943 -0.751 -16.696 1.00 0.00 N ATOM 0 H GLN A 33 -6.987 -3.093 -14.406 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.975 -0.276 -14.291 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.495 -2.332 -12.640 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.886 -0.627 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.947 -2.594 -15.047 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.343 -1.970 -14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.594 -1.671 -16.964 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.955 0.008 -17.377 1.00 0.00 H new ATOM 121 N LEU A 34 -5.602 -1.810 -11.765 1.00 0.00 N ATOM 122 CA LEU A 34 -4.833 -1.617 -10.538 1.00 0.00 C ATOM 123 C LEU A 34 -3.806 -0.498 -10.692 1.00 0.00 C ATOM 124 O LEU A 34 -3.633 0.324 -9.791 1.00 0.00 O ATOM 125 CB LEU A 34 -4.124 -2.916 -10.145 1.00 0.00 C ATOM 126 CG LEU A 34 -5.047 -4.074 -9.755 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.237 -5.341 -9.523 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.847 -3.723 -8.510 1.00 0.00 C ATOM 0 H LEU A 34 -5.608 -2.769 -12.111 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.533 -1.333 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.499 -3.236 -10.979 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.457 -2.708 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.744 -4.250 -10.574 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.907 -6.155 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.703 -5.604 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.520 -5.172 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.497 -4.558 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.165 -3.521 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.453 -2.838 -8.704 1.00 0.00 H new ATOM 140 N ARG A 35 -3.118 -0.480 -11.829 1.00 0.00 N ATOM 141 CA ARG A 35 -2.097 0.530 -12.088 1.00 0.00 C ATOM 142 C ARG A 35 -2.697 1.934 -12.154 1.00 0.00 C ATOM 143 O ARG A 35 -2.290 2.824 -11.410 1.00 0.00 O ATOM 144 CB ARG A 35 -1.368 0.215 -13.396 1.00 0.00 C ATOM 145 CG ARG A 35 -0.271 1.209 -13.738 1.00 0.00 C ATOM 146 CD ARG A 35 0.419 0.850 -15.045 1.00 0.00 C ATOM 147 NE ARG A 35 1.481 1.794 -15.387 1.00 0.00 N ATOM 148 CZ ARG A 35 2.574 1.981 -14.651 1.00 0.00 C ATOM 149 NH1 ARG A 35 2.758 1.280 -13.539 1.00 0.00 N ATOM 150 NH2 ARG A 35 3.487 2.864 -15.030 1.00 0.00 N ATOM 0 H ARG A 35 -3.248 -1.152 -12.585 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.389 0.506 -11.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.934 -0.783 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.093 0.193 -14.210 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.696 2.210 -13.813 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.463 1.234 -12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.838 -0.153 -14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.317 0.828 -15.848 1.00 0.00 H new ATOM 0 HE ARG A 35 1.378 2.342 -16.241 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.061 0.596 -13.246 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.597 1.426 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.352 3.401 -15.887 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.324 3.006 -14.465 1.00 0.00 H new ATOM 164 N VAL A 36 -3.657 2.126 -13.052 1.00 0.00 N ATOM 165 CA VAL A 36 -4.304 3.425 -13.222 1.00 0.00 C ATOM 166 C VAL A 36 -4.961 3.902 -11.929 1.00 0.00 C ATOM 167 O VAL A 36 -4.987 5.098 -11.639 1.00 0.00 O ATOM 168 CB VAL A 36 -5.366 3.378 -14.338 1.00 0.00 C ATOM 169 CG1 VAL A 36 -6.050 4.728 -14.489 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.738 2.945 -15.653 1.00 0.00 C ATOM 0 H VAL A 36 -4.006 1.398 -13.675 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.519 4.129 -13.499 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.122 2.644 -14.060 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.796 4.671 -15.282 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.537 4.996 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.308 5.486 -14.742 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.502 2.917 -16.430 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.959 3.654 -15.935 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.301 1.953 -15.538 1.00 0.00 H new ATOM 180 N TRP A 37 -5.504 2.963 -11.167 1.00 0.00 N ATOM 181 CA TRP A 37 -6.180 3.281 -9.912 1.00 0.00 C ATOM 182 C TRP A 37 -5.253 3.985 -8.915 1.00 0.00 C ATOM 183 O TRP A 37 -5.406 5.179 -8.658 1.00 0.00 O ATOM 184 CB TRP A 37 -6.766 1.994 -9.303 1.00 0.00 C ATOM 185 CG TRP A 37 -6.896 2.007 -7.805 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.229 3.065 -7.006 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.696 0.894 -6.928 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.214 2.683 -5.688 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.903 1.353 -5.614 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.355 -0.447 -7.125 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.781 0.520 -4.505 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.238 -1.274 -6.024 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.450 -0.788 -4.728 1.00 0.00 C ATOM 0 H TRP A 37 -5.490 1.969 -11.396 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.988 3.979 -10.132 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.750 1.819 -9.737 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.136 1.153 -9.592 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.469 4.057 -7.360 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.404 3.292 -4.892 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.186 -0.830 -8.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.942 0.893 -3.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.979 -2.313 -6.166 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.350 -1.459 -3.888 1.00 0.00 H new ATOM 204 N ILE A 38 -4.325 3.238 -8.330 1.00 0.00 N ATOM 205 CA ILE A 38 -3.414 3.793 -7.333 1.00 0.00 C ATOM 206 C ILE A 38 -2.483 4.852 -7.921 1.00 0.00 C ATOM 207 O ILE A 38 -2.371 5.952 -7.382 1.00 0.00 O ATOM 208 CB ILE A 38 -2.576 2.686 -6.670 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.492 1.634 -6.039 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.638 3.279 -5.627 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.748 0.464 -5.435 1.00 0.00 C ATOM 0 H ILE A 38 -4.182 2.248 -8.527 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.040 4.273 -6.581 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.970 2.201 -7.436 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.096 2.108 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.181 1.263 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.053 2.482 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.967 3.992 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.222 3.788 -4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.462 -0.240 -5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.166 -0.036 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.079 0.823 -4.653 1.00 0.00 H new ATOM 223 N GLU A 39 -1.816 4.520 -9.022 1.00 0.00 N ATOM 224 CA GLU A 39 -0.899 5.460 -9.661 1.00 0.00 C ATOM 225 C GLU A 39 -1.631 6.735 -10.067 1.00 0.00 C ATOM 226 O GLU A 39 -1.143 7.842 -9.840 1.00 0.00 O ATOM 227 CB GLU A 39 -0.232 4.827 -10.887 1.00 0.00 C ATOM 228 CG GLU A 39 0.825 3.779 -10.557 1.00 0.00 C ATOM 229 CD GLU A 39 0.274 2.575 -9.814 1.00 0.00 C ATOM 230 OE1 GLU A 39 -0.138 2.731 -8.646 1.00 0.00 O ATOM 231 OE2 GLU A 39 0.259 1.474 -10.401 1.00 0.00 O ATOM 0 H GLU A 39 -1.891 3.616 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.125 5.714 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.001 4.367 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.229 5.615 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.292 3.442 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.607 4.241 -9.955 1.00 0.00 H new ATOM 238 N GLY A 40 -2.807 6.569 -10.660 1.00 0.00 N ATOM 239 CA GLY A 40 -3.596 7.712 -11.085 1.00 0.00 C ATOM 240 C GLY A 40 -4.132 8.516 -9.916 1.00 0.00 C ATOM 241 O GLY A 40 -4.313 9.729 -10.020 1.00 0.00 O ATOM 0 H GLY A 40 -3.230 5.662 -10.855 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.984 8.357 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.430 7.367 -11.697 1.00 0.00 H new ATOM 245 N ALA A 41 -4.396 7.833 -8.804 1.00 0.00 N ATOM 246 CA ALA A 41 -4.926 8.481 -7.607 1.00 0.00 C ATOM 247 C ALA A 41 -4.118 9.722 -7.238 1.00 0.00 C ATOM 248 O ALA A 41 -4.669 10.815 -7.104 1.00 0.00 O ATOM 249 CB ALA A 41 -4.941 7.501 -6.443 1.00 0.00 C ATOM 0 H ALA A 41 -4.251 6.828 -8.707 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.946 8.798 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.338 7.995 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.570 6.647 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.926 7.158 -6.243 1.00 0.00 H new ATOM 255 N THR A 42 -2.812 9.546 -7.077 1.00 0.00 N ATOM 256 CA THR A 42 -1.929 10.651 -6.724 1.00 0.00 C ATOM 257 C THR A 42 -1.164 11.155 -7.941 1.00 0.00 C ATOM 258 O THR A 42 -1.139 12.354 -8.222 1.00 0.00 O ATOM 259 CB THR A 42 -0.920 10.230 -5.639 1.00 0.00 C ATOM 260 OG1 THR A 42 -0.146 9.115 -6.097 1.00 0.00 O ATOM 261 CG2 THR A 42 -1.640 9.861 -4.351 1.00 0.00 C ATOM 0 H THR A 42 -2.341 8.648 -7.185 1.00 0.00 H new ATOM 0 HA THR A 42 -2.560 11.452 -6.339 1.00 0.00 H new ATOM 0 HB THR A 42 -0.257 11.072 -5.439 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.494 8.854 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.910 9.567 -3.597 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.206 10.720 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.321 9.031 -4.540 1.00 0.00 H new ATOM 269 N GLY A 43 -0.533 10.229 -8.651 1.00 0.00 N ATOM 270 CA GLY A 43 0.241 10.580 -9.824 1.00 0.00 C ATOM 271 C GLY A 43 1.672 10.112 -9.693 1.00 0.00 C ATOM 272 O GLY A 43 2.608 10.846 -10.008 1.00 0.00 O ATOM 0 H GLY A 43 -0.545 9.233 -8.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.211 10.133 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.220 11.660 -9.967 1.00 0.00 H new ATOM 276 N ARG A 44 1.837 8.886 -9.204 1.00 0.00 N ATOM 277 CA ARG A 44 3.160 8.315 -9.005 1.00 0.00 C ATOM 278 C ARG A 44 3.255 6.915 -9.602 1.00 0.00 C ATOM 279 O ARG A 44 2.423 6.052 -9.322 1.00 0.00 O ATOM 280 CB ARG A 44 3.475 8.255 -7.509 1.00 0.00 C ATOM 281 CG ARG A 44 3.330 9.590 -6.799 1.00 0.00 C ATOM 282 CD ARG A 44 4.244 10.630 -7.414 1.00 0.00 C ATOM 283 NE ARG A 44 4.065 11.951 -6.815 1.00 0.00 N ATOM 284 CZ ARG A 44 4.314 12.226 -5.538 1.00 0.00 C ATOM 285 NH1 ARG A 44 4.770 11.281 -4.727 1.00 0.00 N ATOM 286 NH2 ARG A 44 4.114 13.451 -5.072 1.00 0.00 N ATOM 0 H ARG A 44 1.068 8.270 -8.939 1.00 0.00 H new ATOM 0 HA ARG A 44 3.884 8.953 -9.512 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.813 7.529 -7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.494 7.892 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.295 9.928 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.566 9.472 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.281 10.316 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.052 10.691 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 44 3.729 12.707 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.931 10.338 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.960 11.497 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.769 14.183 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.305 13.662 -4.092 1.00 0.00 H new ATOM 300 N ARG A 45 4.283 6.695 -10.415 1.00 0.00 N ATOM 301 CA ARG A 45 4.499 5.398 -11.043 1.00 0.00 C ATOM 302 C ARG A 45 5.251 4.465 -10.100 1.00 0.00 C ATOM 303 O ARG A 45 6.273 4.844 -9.526 1.00 0.00 O ATOM 304 CB ARG A 45 5.280 5.565 -12.348 1.00 0.00 C ATOM 305 CG ARG A 45 4.587 6.459 -13.365 1.00 0.00 C ATOM 306 CD ARG A 45 3.245 5.884 -13.794 1.00 0.00 C ATOM 307 NE ARG A 45 2.567 6.737 -14.768 1.00 0.00 N ATOM 308 CZ ARG A 45 3.047 7.004 -15.980 1.00 0.00 C ATOM 309 NH1 ARG A 45 4.198 6.475 -16.375 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.374 7.799 -16.800 1.00 0.00 N ATOM 0 H ARG A 45 4.980 7.400 -10.654 1.00 0.00 H new ATOM 0 HA ARG A 45 3.527 4.958 -11.266 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.262 5.980 -12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.443 4.583 -12.792 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.439 7.451 -12.937 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.227 6.581 -14.239 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.396 4.894 -14.223 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.609 5.758 -12.918 1.00 0.00 H new ATOM 0 HE ARG A 45 1.674 7.152 -14.503 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.719 5.861 -15.749 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.562 6.682 -17.305 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.488 8.206 -16.502 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.743 8.003 -17.729 1.00 0.00 H new ATOM 324 N ILE A 46 4.745 3.247 -9.941 1.00 0.00 N ATOM 325 CA ILE A 46 5.379 2.270 -9.064 1.00 0.00 C ATOM 326 C ILE A 46 6.770 1.901 -9.571 1.00 0.00 C ATOM 327 O ILE A 46 7.761 2.045 -8.853 1.00 0.00 O ATOM 328 CB ILE A 46 4.528 0.988 -8.941 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.146 1.323 -8.371 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.235 -0.038 -8.067 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.220 0.129 -8.279 1.00 0.00 C ATOM 0 H ILE A 46 3.901 2.914 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 46 5.465 2.733 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 46 4.398 0.558 -9.934 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.267 1.755 -7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.680 2.086 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.621 -0.936 -7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.197 -0.293 -8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.393 0.379 -7.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.261 0.443 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.068 -0.291 -9.273 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.664 -0.626 -7.630 1.00 0.00 H new ATOM 343 N GLY A 47 6.836 1.429 -10.812 1.00 0.00 N ATOM 344 CA GLY A 47 8.110 1.053 -11.397 1.00 0.00 C ATOM 345 C GLY A 47 7.957 0.062 -12.533 1.00 0.00 C ATOM 346 O GLY A 47 6.974 0.104 -13.274 1.00 0.00 O ATOM 0 H GLY A 47 6.030 1.300 -11.423 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.615 1.946 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.747 0.621 -10.625 1.00 0.00 H new ATOM 350 N ASP A 48 8.928 -0.836 -12.667 1.00 0.00 N ATOM 351 CA ASP A 48 8.895 -1.848 -13.716 1.00 0.00 C ATOM 352 C ASP A 48 8.081 -3.060 -13.275 1.00 0.00 C ATOM 353 O ASP A 48 7.181 -3.509 -13.984 1.00 0.00 O ATOM 354 CB ASP A 48 10.317 -2.280 -14.084 1.00 0.00 C ATOM 355 CG ASP A 48 11.158 -1.126 -14.594 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.350 -0.152 -13.838 1.00 0.00 O ATOM 357 OD2 ASP A 48 11.623 -1.199 -15.752 1.00 0.00 O ATOM 0 H ASP A 48 9.748 -0.883 -12.062 1.00 0.00 H new ATOM 0 HA ASP A 48 8.418 -1.411 -14.593 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.798 -2.718 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.272 -3.058 -14.846 1.00 0.00 H new ATOM 362 N ASN A 49 8.404 -3.582 -12.095 1.00 0.00 N ATOM 363 CA ASN A 49 7.706 -4.739 -11.548 1.00 0.00 C ATOM 364 C ASN A 49 6.296 -4.359 -11.094 1.00 0.00 C ATOM 365 O ASN A 49 5.564 -3.684 -11.819 1.00 0.00 O ATOM 366 CB ASN A 49 8.502 -5.332 -10.382 1.00 0.00 C ATOM 367 CG ASN A 49 9.887 -5.782 -10.797 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.042 -6.614 -11.691 1.00 0.00 O ATOM 369 ND2 ASN A 49 10.902 -5.237 -10.143 1.00 0.00 N ATOM 0 H ASN A 49 9.148 -3.220 -11.498 1.00 0.00 H new ATOM 0 HA ASN A 49 7.618 -5.491 -12.332 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.587 -4.589 -9.589 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.957 -6.180 -9.968 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.859 -5.503 -10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.726 -4.551 -9.409 1.00 0.00 H new ATOM 376 N PHE A 50 5.920 -4.791 -9.890 1.00 0.00 N ATOM 377 CA PHE A 50 4.600 -4.490 -9.349 1.00 0.00 C ATOM 378 C PHE A 50 4.528 -4.853 -7.868 1.00 0.00 C ATOM 379 O PHE A 50 4.128 -4.036 -7.038 1.00 0.00 O ATOM 380 CB PHE A 50 3.522 -5.249 -10.127 1.00 0.00 C ATOM 381 CG PHE A 50 2.119 -4.946 -9.678 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.691 -3.635 -9.530 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.229 -5.972 -9.404 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.402 -3.355 -9.119 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.061 -5.697 -8.992 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.475 -4.387 -8.850 1.00 0.00 C ATOM 0 H PHE A 50 6.511 -5.349 -9.274 1.00 0.00 H new ATOM 0 HA PHE A 50 4.425 -3.419 -9.453 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.614 -5.008 -11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.702 -6.319 -10.027 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.373 -2.824 -9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.547 -6.998 -9.514 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.081 -2.330 -9.008 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.745 -6.506 -8.781 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.483 -4.170 -8.529 1.00 0.00 H new ATOM 396 N MET A 51 4.924 -6.080 -7.544 1.00 0.00 N ATOM 397 CA MET A 51 4.910 -6.548 -6.162 1.00 0.00 C ATOM 398 C MET A 51 6.055 -5.917 -5.380 1.00 0.00 C ATOM 399 O MET A 51 5.861 -5.375 -4.292 1.00 0.00 O ATOM 400 CB MET A 51 5.037 -8.071 -6.118 1.00 0.00 C ATOM 401 CG MET A 51 4.170 -8.780 -7.143 1.00 0.00 C ATOM 402 SD MET A 51 2.423 -8.365 -6.991 1.00 0.00 S ATOM 403 CE MET A 51 2.085 -8.958 -5.338 1.00 0.00 C ATOM 0 H MET A 51 5.258 -6.768 -8.219 1.00 0.00 H new ATOM 0 HA MET A 51 3.963 -6.255 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.079 -8.346 -6.282 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.768 -8.422 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.514 -8.521 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.293 -9.857 -7.033 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.008 -8.972 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.483 -9.966 -5.225 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.558 -8.298 -4.611 1.00 0.00 H new ATOM 413 N ASP A 52 7.250 -5.994 -5.955 1.00 0.00 N ATOM 414 CA ASP A 52 8.447 -5.437 -5.334 1.00 0.00 C ATOM 415 C ASP A 52 8.330 -3.920 -5.191 1.00 0.00 C ATOM 416 O ASP A 52 8.845 -3.334 -4.240 1.00 0.00 O ATOM 417 CB ASP A 52 9.686 -5.793 -6.161 1.00 0.00 C ATOM 418 CG ASP A 52 10.973 -5.293 -5.534 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.130 -4.061 -5.397 1.00 0.00 O ATOM 420 OD2 ASP A 52 11.824 -6.135 -5.178 1.00 0.00 O ATOM 0 H ASP A 52 7.416 -6.440 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 52 8.547 -5.869 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.741 -6.875 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.585 -5.369 -7.160 1.00 0.00 H new ATOM 425 N GLY A 53 7.659 -3.288 -6.147 1.00 0.00 N ATOM 426 CA GLY A 53 7.494 -1.846 -6.109 1.00 0.00 C ATOM 427 C GLY A 53 6.758 -1.372 -4.868 1.00 0.00 C ATOM 428 O GLY A 53 7.128 -0.364 -4.271 1.00 0.00 O ATOM 0 H GLY A 53 7.226 -3.748 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.474 -1.371 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.948 -1.524 -6.996 1.00 0.00 H new ATOM 432 N LEU A 54 5.711 -2.097 -4.490 1.00 0.00 N ATOM 433 CA LEU A 54 4.906 -1.750 -3.320 1.00 0.00 C ATOM 434 C LEU A 54 5.739 -1.774 -2.035 1.00 0.00 C ATOM 435 O LEU A 54 5.430 -1.074 -1.072 1.00 0.00 O ATOM 436 CB LEU A 54 3.734 -2.728 -3.184 1.00 0.00 C ATOM 437 CG LEU A 54 2.833 -2.847 -4.416 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.794 -3.938 -4.209 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.154 -1.521 -4.720 1.00 0.00 C ATOM 0 H LEU A 54 5.397 -2.935 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 54 4.531 -0.737 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.132 -3.715 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.122 -2.420 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 54 3.456 -3.115 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.161 -4.010 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.296 -4.891 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.179 -3.695 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.519 -1.630 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.545 -1.220 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.911 -0.760 -4.911 1.00 0.00 H new ATOM 451 N LYS A 55 6.772 -2.610 -2.024 1.00 0.00 N ATOM 452 CA LYS A 55 7.640 -2.768 -0.857 1.00 0.00 C ATOM 453 C LYS A 55 8.124 -1.428 -0.295 1.00 0.00 C ATOM 454 O LYS A 55 8.136 -1.233 0.921 1.00 0.00 O ATOM 455 CB LYS A 55 8.847 -3.634 -1.221 1.00 0.00 C ATOM 456 CG LYS A 55 8.472 -4.940 -1.900 1.00 0.00 C ATOM 457 CD LYS A 55 9.704 -5.720 -2.330 1.00 0.00 C ATOM 458 CE LYS A 55 10.407 -6.350 -1.146 1.00 0.00 C ATOM 459 NZ LYS A 55 11.656 -7.052 -1.548 1.00 0.00 N ATOM 0 H LYS A 55 7.032 -3.195 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 55 7.046 -3.251 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.506 -3.067 -1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.413 -3.854 -0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.876 -5.547 -1.219 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.849 -4.733 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.415 -6.497 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.393 -5.055 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.644 -5.579 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.735 -7.056 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.106 -7.469 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.428 -7.805 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.309 -6.373 -1.989 1.00 0.00 H new ATOM 473 N ASP A 56 8.544 -0.519 -1.171 1.00 0.00 N ATOM 474 CA ASP A 56 9.051 0.782 -0.735 1.00 0.00 C ATOM 475 C ASP A 56 8.046 1.521 0.145 1.00 0.00 C ATOM 476 O ASP A 56 8.432 2.235 1.072 1.00 0.00 O ATOM 477 CB ASP A 56 9.445 1.651 -1.934 1.00 0.00 C ATOM 478 CG ASP A 56 8.293 1.919 -2.886 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.167 1.459 -2.609 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.519 2.595 -3.912 1.00 0.00 O ATOM 0 H ASP A 56 8.544 -0.657 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 56 9.941 0.590 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.837 2.602 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.252 1.161 -2.480 1.00 0.00 H new ATOM 485 N GLY A 57 6.760 1.358 -0.145 1.00 0.00 N ATOM 486 CA GLY A 57 5.740 2.028 0.638 1.00 0.00 C ATOM 487 C GLY A 57 5.849 3.539 0.546 1.00 0.00 C ATOM 488 O GLY A 57 6.377 4.186 1.450 1.00 0.00 O ATOM 0 H GLY A 57 6.407 0.776 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.755 1.715 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.825 1.722 1.681 1.00 0.00 H new ATOM 492 N VAL A 58 5.350 4.100 -0.549 1.00 0.00 N ATOM 493 CA VAL A 58 5.391 5.542 -0.759 1.00 0.00 C ATOM 494 C VAL A 58 4.151 6.002 -1.508 1.00 0.00 C ATOM 495 O VAL A 58 3.403 6.854 -1.030 1.00 0.00 O ATOM 496 CB VAL A 58 6.630 5.965 -1.575 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.686 7.479 -1.715 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.906 5.437 -0.938 1.00 0.00 C ATOM 0 H VAL A 58 4.911 3.577 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 58 5.437 6.005 0.227 1.00 0.00 H new ATOM 0 HB VAL A 58 6.545 5.530 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.567 7.759 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.790 7.831 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.742 7.934 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.765 5.749 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.000 5.835 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.869 4.348 -0.897 1.00 0.00 H new ATOM 508 N ILE A 59 3.937 5.422 -2.683 1.00 0.00 N ATOM 509 CA ILE A 59 2.785 5.761 -3.499 1.00 0.00 C ATOM 510 C ILE A 59 1.505 5.257 -2.846 1.00 0.00 C ATOM 511 O ILE A 59 0.496 5.963 -2.811 1.00 0.00 O ATOM 512 CB ILE A 59 2.911 5.181 -4.920 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.222 5.650 -5.561 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.715 5.594 -5.769 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.413 5.184 -6.988 1.00 0.00 C ATOM 0 H ILE A 59 4.549 4.714 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 59 2.745 6.847 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 59 2.924 4.093 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.256 6.739 -5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.057 5.292 -4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.818 5.177 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.798 5.220 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.672 6.681 -5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.364 5.558 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.413 4.094 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.600 5.564 -7.607 1.00 0.00 H new ATOM 527 N LEU A 60 1.556 4.040 -2.308 1.00 0.00 N ATOM 528 CA LEU A 60 0.401 3.462 -1.634 1.00 0.00 C ATOM 529 C LEU A 60 0.007 4.343 -0.458 1.00 0.00 C ATOM 530 O LEU A 60 -1.169 4.654 -0.266 1.00 0.00 O ATOM 531 CB LEU A 60 0.704 2.042 -1.157 1.00 0.00 C ATOM 532 CG LEU A 60 0.995 1.034 -2.271 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.231 -0.349 -1.685 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.147 1.006 -3.278 1.00 0.00 C ATOM 0 H LEU A 60 2.381 3.440 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.428 3.409 -2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.562 2.076 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.144 1.682 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 60 1.900 1.345 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.437 -1.055 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.082 -0.316 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.343 -0.669 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.078 0.284 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.070 0.719 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.267 1.995 -3.719 1.00 0.00 H new ATOM 546 N CYS A 61 1.010 4.770 0.305 1.00 0.00 N ATOM 547 CA CYS A 61 0.780 5.652 1.439 1.00 0.00 C ATOM 548 C CYS A 61 0.052 6.902 0.962 1.00 0.00 C ATOM 549 O CYS A 61 -0.862 7.397 1.618 1.00 0.00 O ATOM 550 CB CYS A 61 2.110 6.025 2.101 1.00 0.00 C ATOM 551 SG CYS A 61 2.083 7.605 2.980 1.00 0.00 S ATOM 0 H CYS A 61 1.987 4.518 0.157 1.00 0.00 H new ATOM 0 HA CYS A 61 0.166 5.139 2.179 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.388 5.237 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.886 6.061 1.337 1.00 0.00 H new ATOM 0 HG CYS A 61 2.004 8.578 2.121 1.00 0.00 H new ATOM 557 N GLU A 62 0.467 7.388 -0.204 1.00 0.00 N ATOM 558 CA GLU A 62 -0.126 8.559 -0.817 1.00 0.00 C ATOM 559 C GLU A 62 -1.585 8.306 -1.191 1.00 0.00 C ATOM 560 O GLU A 62 -2.429 9.195 -1.073 1.00 0.00 O ATOM 561 CB GLU A 62 0.685 8.923 -2.054 1.00 0.00 C ATOM 562 CG GLU A 62 2.062 9.465 -1.727 1.00 0.00 C ATOM 563 CD GLU A 62 2.010 10.841 -1.093 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.500 11.776 -1.745 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.479 10.984 0.055 1.00 0.00 O ATOM 0 H GLU A 62 1.226 6.976 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.111 9.384 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.789 8.040 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.137 9.666 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.569 8.776 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.657 9.511 -2.639 1.00 0.00 H new ATOM 572 N LEU A 63 -1.874 7.086 -1.646 1.00 0.00 N ATOM 573 CA LEU A 63 -3.225 6.711 -2.041 1.00 0.00 C ATOM 574 C LEU A 63 -4.204 6.870 -0.883 1.00 0.00 C ATOM 575 O LEU A 63 -5.124 7.686 -0.943 1.00 0.00 O ATOM 576 CB LEU A 63 -3.240 5.264 -2.535 1.00 0.00 C ATOM 577 CG LEU A 63 -4.630 4.656 -2.717 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.420 5.426 -3.763 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.525 3.188 -3.096 1.00 0.00 C ATOM 0 H LEU A 63 -1.185 6.341 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.538 7.376 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.712 5.216 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.681 4.650 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.162 4.727 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.407 4.977 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.528 6.463 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.893 5.391 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.525 2.772 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.972 3.092 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.002 2.645 -2.308 1.00 0.00 H new ATOM 591 N ILE A 64 -3.998 6.086 0.169 1.00 0.00 N ATOM 592 CA ILE A 64 -4.862 6.142 1.343 1.00 0.00 C ATOM 593 C ILE A 64 -4.838 7.534 1.955 1.00 0.00 C ATOM 594 O ILE A 64 -5.835 8.005 2.498 1.00 0.00 O ATOM 595 CB ILE A 64 -4.446 5.109 2.406 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.397 5.154 3.601 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.012 5.346 2.853 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.822 4.775 3.259 1.00 0.00 C ATOM 0 H ILE A 64 -3.241 5.405 0.233 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.873 5.905 1.011 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.504 4.117 1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.027 4.481 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.389 6.159 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.738 4.605 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.344 5.258 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.924 6.345 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.438 4.830 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.211 5.463 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.844 3.759 2.865 1.00 0.00 H new ATOM 610 N ASN A 65 -3.689 8.190 1.859 1.00 0.00 N ATOM 611 CA ASN A 65 -3.528 9.533 2.394 1.00 0.00 C ATOM 612 C ASN A 65 -4.591 10.461 1.815 1.00 0.00 C ATOM 613 O ASN A 65 -5.023 11.414 2.465 1.00 0.00 O ATOM 614 CB ASN A 65 -2.129 10.060 2.070 1.00 0.00 C ATOM 615 CG ASN A 65 -1.786 11.323 2.826 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.448 12.351 2.683 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.742 11.247 3.642 1.00 0.00 N ATOM 0 H ASN A 65 -2.853 7.811 1.414 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.649 9.500 3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.393 9.291 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.058 10.253 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.458 12.063 4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.224 10.373 3.727 1.00 0.00 H new ATOM 624 N LYS A 66 -5.011 10.167 0.586 1.00 0.00 N ATOM 625 CA LYS A 66 -6.021 10.953 -0.094 1.00 0.00 C ATOM 626 C LYS A 66 -7.421 10.555 0.362 1.00 0.00 C ATOM 627 O LYS A 66 -8.230 11.403 0.735 1.00 0.00 O ATOM 628 CB LYS A 66 -5.894 10.745 -1.600 1.00 0.00 C ATOM 629 CG LYS A 66 -4.578 11.212 -2.181 1.00 0.00 C ATOM 630 CD LYS A 66 -4.401 12.706 -1.999 1.00 0.00 C ATOM 631 CE LYS A 66 -3.118 13.182 -2.644 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.145 13.022 -4.124 1.00 0.00 N ATOM 0 H LYS A 66 -4.659 9.380 0.041 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.867 12.004 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.020 9.685 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.707 11.274 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.756 10.684 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.537 10.964 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.249 13.232 -2.436 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.390 12.948 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.955 14.231 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.277 12.623 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.244 12.614 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.926 12.390 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.283 13.951 -4.571 1.00 0.00 H new ATOM 646 N LEU A 67 -7.696 9.254 0.318 1.00 0.00 N ATOM 647 CA LEU A 67 -8.998 8.731 0.715 1.00 0.00 C ATOM 648 C LEU A 67 -9.259 8.980 2.195 1.00 0.00 C ATOM 649 O LEU A 67 -10.222 9.654 2.560 1.00 0.00 O ATOM 650 CB LEU A 67 -9.071 7.232 0.422 1.00 0.00 C ATOM 651 CG LEU A 67 -8.783 6.840 -1.030 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.824 5.327 -1.188 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.778 7.502 -1.972 1.00 0.00 C ATOM 0 H LEU A 67 -7.033 8.543 0.011 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.763 9.251 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.362 6.716 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.065 6.873 0.689 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.783 7.189 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.617 5.064 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.072 4.873 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.812 4.959 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.556 7.211 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.789 7.185 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.703 8.585 -1.878 1.00 0.00 H new ATOM 665 N GLN A 68 -8.396 8.433 3.044 1.00 0.00 N ATOM 666 CA GLN A 68 -8.535 8.600 4.482 1.00 0.00 C ATOM 667 C GLN A 68 -7.615 9.710 4.989 1.00 0.00 C ATOM 668 O GLN A 68 -6.391 9.597 4.922 1.00 0.00 O ATOM 669 CB GLN A 68 -8.229 7.285 5.202 1.00 0.00 C ATOM 670 CG GLN A 68 -8.439 7.348 6.707 1.00 0.00 C ATOM 671 CD GLN A 68 -8.115 6.040 7.408 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.697 5.035 6.644 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.239 5.933 8.628 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.594 7.871 2.759 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.565 8.885 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.861 6.499 4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.196 7.002 5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.816 8.140 7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.475 7.617 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.563 6.728 9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.018 5.050 9.088 1.00 0.00 H new ATOM 682 N PRO A 69 -8.203 10.807 5.488 1.00 0.00 N ATOM 683 CA PRO A 69 -7.453 11.957 5.999 1.00 0.00 C ATOM 684 C PRO A 69 -6.387 11.581 7.026 1.00 0.00 C ATOM 685 O PRO A 69 -6.672 10.902 8.013 1.00 0.00 O ATOM 686 CB PRO A 69 -8.534 12.809 6.663 1.00 0.00 C ATOM 687 CG PRO A 69 -9.790 12.458 5.962 1.00 0.00 C ATOM 688 CD PRO A 69 -9.657 11.018 5.570 1.00 0.00 C ATOM 0 HA PRO A 69 -6.904 12.456 5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.605 12.594 7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.313 13.872 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.653 12.607 6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.937 13.089 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.115 10.359 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.144 10.817 4.616 1.00 0.00 H new ATOM 696 N GLY A 70 -5.164 12.055 6.795 1.00 0.00 N ATOM 697 CA GLY A 70 -4.063 11.796 7.709 1.00 0.00 C ATOM 698 C GLY A 70 -3.901 10.333 8.081 1.00 0.00 C ATOM 699 O GLY A 70 -3.791 10.002 9.262 1.00 0.00 O ATOM 0 H GLY A 70 -4.915 12.619 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.137 12.150 7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.215 12.377 8.619 1.00 0.00 H new ATOM 703 N SER A 71 -3.874 9.456 7.084 1.00 0.00 N ATOM 704 CA SER A 71 -3.711 8.028 7.339 1.00 0.00 C ATOM 705 C SER A 71 -2.296 7.721 7.818 1.00 0.00 C ATOM 706 O SER A 71 -2.100 7.169 8.900 1.00 0.00 O ATOM 707 CB SER A 71 -4.009 7.219 6.076 1.00 0.00 C ATOM 708 OG SER A 71 -5.346 7.410 5.655 1.00 0.00 O ATOM 0 H SER A 71 -3.962 9.705 6.099 1.00 0.00 H new ATOM 0 HA SER A 71 -4.417 7.746 8.120 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.327 7.517 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.832 6.161 6.268 1.00 0.00 H new ATOM 0 HG SER A 71 -5.421 8.264 5.180 1.00 0.00 H new ATOM 714 N VAL A 72 -1.314 8.087 7.000 1.00 0.00 N ATOM 715 CA VAL A 72 0.087 7.856 7.328 1.00 0.00 C ATOM 716 C VAL A 72 0.704 9.079 8.000 1.00 0.00 C ATOM 717 O VAL A 72 0.440 10.216 7.605 1.00 0.00 O ATOM 718 CB VAL A 72 0.897 7.494 6.068 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.362 7.268 6.406 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.305 6.262 5.400 1.00 0.00 C ATOM 0 H VAL A 72 -1.465 8.547 6.102 1.00 0.00 H new ATOM 0 HA VAL A 72 0.123 7.018 8.024 1.00 0.00 H new ATOM 0 HB VAL A 72 0.840 8.331 5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.910 7.014 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.780 8.177 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.448 6.451 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.886 6.016 4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.332 5.423 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.728 6.464 5.115 1.00 0.00 H new ATOM 730 N GLN A 73 1.519 8.838 9.022 1.00 0.00 N ATOM 731 CA GLN A 73 2.168 9.917 9.759 1.00 0.00 C ATOM 732 C GLN A 73 3.010 10.794 8.836 1.00 0.00 C ATOM 733 O GLN A 73 2.913 12.021 8.874 1.00 0.00 O ATOM 734 CB GLN A 73 3.045 9.344 10.873 1.00 0.00 C ATOM 735 CG GLN A 73 2.271 8.528 11.896 1.00 0.00 C ATOM 736 CD GLN A 73 3.159 7.974 12.993 1.00 0.00 C ATOM 737 OE1 GLN A 73 3.190 6.653 13.120 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 3.811 8.726 13.719 1.00 0.00 N flip ATOM 0 H GLN A 73 1.746 7.903 9.359 1.00 0.00 H new ATOM 0 HA GLN A 73 1.386 10.537 10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.818 8.717 10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.553 10.163 11.382 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.496 9.152 12.341 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.766 7.704 11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.758 9.736 13.586 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.404 8.339 14.453 1.00 0.00 H new ATOM 747 N LYS A 74 3.837 10.160 8.007 1.00 0.00 N ATOM 748 CA LYS A 74 4.695 10.889 7.078 1.00 0.00 C ATOM 749 C LYS A 74 5.433 9.933 6.145 1.00 0.00 C ATOM 750 O LYS A 74 5.962 8.909 6.577 1.00 0.00 O ATOM 751 CB LYS A 74 5.705 11.747 7.847 1.00 0.00 C ATOM 752 CG LYS A 74 6.605 10.946 8.773 1.00 0.00 C ATOM 753 CD LYS A 74 7.583 11.844 9.514 1.00 0.00 C ATOM 754 CE LYS A 74 8.485 11.042 10.438 1.00 0.00 C ATOM 755 NZ LYS A 74 9.297 10.042 9.692 1.00 0.00 N ATOM 0 H LYS A 74 3.930 9.145 7.960 1.00 0.00 H new ATOM 0 HA LYS A 74 4.059 11.537 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.324 12.291 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.165 12.491 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.995 10.400 9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.157 10.205 8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.192 12.392 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.032 12.584 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.148 11.720 10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.877 10.531 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.004 9.083 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.151 10.169 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.304 10.175 9.917 1.00 0.00 H new ATOM 769 N VAL A 75 5.462 10.278 4.861 1.00 0.00 N ATOM 770 CA VAL A 75 6.133 9.456 3.860 1.00 0.00 C ATOM 771 C VAL A 75 7.646 9.483 4.050 1.00 0.00 C ATOM 772 O VAL A 75 8.247 10.550 4.173 1.00 0.00 O ATOM 773 CB VAL A 75 5.800 9.933 2.433 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.443 9.021 1.399 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.295 10.006 2.233 1.00 0.00 C ATOM 0 H VAL A 75 5.028 11.123 4.489 1.00 0.00 H new ATOM 0 HA VAL A 75 5.771 8.436 3.992 1.00 0.00 H new ATOM 0 HB VAL A 75 6.209 10.935 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.196 9.375 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.525 9.029 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.069 8.005 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.079 10.345 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.859 9.019 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.866 10.707 2.949 1.00 0.00 H new ATOM 785 N ASN A 76 8.257 8.302 4.072 1.00 0.00 N ATOM 786 CA ASN A 76 9.699 8.191 4.246 1.00 0.00 C ATOM 787 C ASN A 76 10.380 7.792 2.941 1.00 0.00 C ATOM 788 O ASN A 76 9.946 6.858 2.265 1.00 0.00 O ATOM 789 CB ASN A 76 10.021 7.159 5.326 1.00 0.00 C ATOM 790 CG ASN A 76 9.367 7.482 6.653 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.602 8.540 7.235 1.00 0.00 O ATOM 792 ND2 ASN A 76 8.541 6.564 7.139 1.00 0.00 N ATOM 0 H ASN A 76 7.774 7.409 3.971 1.00 0.00 H new ATOM 0 HA ASN A 76 10.076 9.167 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.692 6.175 4.993 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.101 7.105 5.461 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.071 6.722 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.376 5.701 6.621 1.00 0.00 H new ATOM 799 N ASP A 77 11.457 8.492 2.602 1.00 0.00 N ATOM 800 CA ASP A 77 12.208 8.198 1.388 1.00 0.00 C ATOM 801 C ASP A 77 12.815 6.797 1.486 1.00 0.00 C ATOM 802 O ASP A 77 13.493 6.485 2.463 1.00 0.00 O ATOM 803 CB ASP A 77 13.307 9.249 1.192 1.00 0.00 C ATOM 804 CG ASP A 77 14.051 9.105 -0.123 1.00 0.00 C ATOM 805 OD1 ASP A 77 13.738 8.174 -0.890 1.00 0.00 O ATOM 806 OD2 ASP A 77 14.951 9.931 -0.386 1.00 0.00 O ATOM 0 H ASP A 77 11.829 9.267 3.151 1.00 0.00 H new ATOM 0 HA ASP A 77 11.539 8.230 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.862 10.243 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.019 9.177 2.014 1.00 0.00 H new ATOM 811 N PRO A 78 12.558 5.922 0.494 1.00 0.00 N ATOM 812 CA PRO A 78 13.070 4.542 0.499 1.00 0.00 C ATOM 813 C PRO A 78 14.584 4.445 0.285 1.00 0.00 C ATOM 814 O PRO A 78 15.052 3.599 -0.477 1.00 0.00 O ATOM 815 CB PRO A 78 12.326 3.883 -0.665 1.00 0.00 C ATOM 816 CG PRO A 78 11.980 5.006 -1.579 1.00 0.00 C ATOM 817 CD PRO A 78 11.724 6.194 -0.694 1.00 0.00 C ATOM 0 HA PRO A 78 12.905 4.067 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.951 3.143 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.432 3.364 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.793 5.207 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.100 4.767 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.010 7.127 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.669 6.281 -0.433 1.00 0.00 H new ATOM 825 N VAL A 79 15.345 5.297 0.969 1.00 0.00 N ATOM 826 CA VAL A 79 16.800 5.278 0.853 1.00 0.00 C ATOM 827 C VAL A 79 17.388 4.098 1.620 1.00 0.00 C ATOM 828 O VAL A 79 18.080 3.254 1.050 1.00 0.00 O ATOM 829 CB VAL A 79 17.426 6.581 1.389 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.944 6.522 1.305 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.892 7.783 0.628 1.00 0.00 C ATOM 0 H VAL A 79 14.980 6.005 1.606 1.00 0.00 H new ATOM 0 HA VAL A 79 17.034 5.182 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 79 17.147 6.689 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.366 7.451 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.309 5.685 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.246 6.388 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.345 8.693 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 79 17.137 7.682 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.810 7.837 0.746 1.00 0.00 H new ATOM 841 N GLN A 80 17.102 4.048 2.918 1.00 0.00 N ATOM 842 CA GLN A 80 17.595 2.975 3.775 1.00 0.00 C ATOM 843 C GLN A 80 16.773 1.701 3.577 1.00 0.00 C ATOM 844 O GLN A 80 16.664 1.197 2.460 1.00 0.00 O ATOM 845 CB GLN A 80 17.574 3.416 5.240 1.00 0.00 C ATOM 846 CG GLN A 80 18.491 4.595 5.527 1.00 0.00 C ATOM 847 CD GLN A 80 18.495 4.991 6.990 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.805 4.181 7.864 1.00 0.00 O ATOM 849 NE2 GLN A 80 18.155 6.244 7.265 1.00 0.00 N ATOM 0 H GLN A 80 16.529 4.741 3.400 1.00 0.00 H new ATOM 0 HA GLN A 80 18.625 2.754 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.554 3.682 5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.867 2.576 5.869 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.506 4.343 5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.178 5.448 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 80 17.905 6.882 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 80 18.144 6.569 8.232 1.00 0.00 H new ATOM 858 N ASN A 81 16.198 1.179 4.661 1.00 0.00 N ATOM 859 CA ASN A 81 15.398 -0.038 4.582 1.00 0.00 C ATOM 860 C ASN A 81 14.230 0.000 5.564 1.00 0.00 C ATOM 861 O ASN A 81 13.097 -0.314 5.200 1.00 0.00 O ATOM 862 CB ASN A 81 16.267 -1.265 4.862 1.00 0.00 C ATOM 863 CG ASN A 81 17.415 -1.399 3.880 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.205 -1.521 2.674 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.639 -1.378 4.396 1.00 0.00 N ATOM 0 H ASN A 81 16.272 1.578 5.597 1.00 0.00 H new ATOM 0 HA ASN A 81 14.995 -0.103 3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.665 -1.201 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.649 -2.162 4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.451 -1.465 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.766 -1.275 5.403 1.00 0.00 H new ATOM 872 N TRP A 82 14.508 0.379 6.809 1.00 0.00 N ATOM 873 CA TRP A 82 13.467 0.444 7.828 1.00 0.00 C ATOM 874 C TRP A 82 12.450 1.538 7.508 1.00 0.00 C ATOM 875 O TRP A 82 11.336 1.530 8.031 1.00 0.00 O ATOM 876 CB TRP A 82 14.074 0.638 9.223 1.00 0.00 C ATOM 877 CG TRP A 82 14.863 1.901 9.395 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.215 2.044 9.271 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.356 3.188 9.771 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.577 3.344 9.525 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.455 4.066 9.837 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.079 3.685 10.049 1.00 0.00 C ATOM 883 CZ2 TRP A 82 15.315 5.410 10.171 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.942 5.020 10.381 1.00 0.00 C ATOM 885 CH2 TRP A 82 14.055 5.870 10.440 1.00 0.00 C ATOM 0 H TRP A 82 15.438 0.644 7.134 1.00 0.00 H new ATOM 0 HA TRP A 82 12.937 -0.509 7.826 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.270 0.626 9.959 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.721 -0.211 9.444 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.900 1.250 9.011 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.527 3.713 9.487 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.215 3.038 10.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 16.171 6.067 10.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.961 5.415 10.599 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.915 6.908 10.703 1.00 0.00 H new ATOM 896 N HIS A 83 12.832 2.466 6.631 1.00 0.00 N ATOM 897 CA HIS A 83 11.939 3.550 6.228 1.00 0.00 C ATOM 898 C HIS A 83 10.653 2.986 5.635 1.00 0.00 C ATOM 899 O HIS A 83 9.553 3.423 5.974 1.00 0.00 O ATOM 900 CB HIS A 83 12.626 4.456 5.201 1.00 0.00 C ATOM 901 CG HIS A 83 13.781 5.234 5.752 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.589 6.036 4.973 1.00 0.00 N ATOM 903 CD2 HIS A 83 14.256 5.343 7.013 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.509 6.602 5.731 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.328 6.198 6.974 1.00 0.00 N ATOM 0 H HIS A 83 13.750 2.488 6.188 1.00 0.00 H new ATOM 0 HA HIS A 83 11.695 4.138 7.113 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.976 3.845 4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.891 5.153 4.797 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.491 6.171 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.864 4.848 7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.278 7.280 5.392 1.00 0.00 H new ATOM 914 N LYS A 84 10.805 2.007 4.746 1.00 0.00 N ATOM 915 CA LYS A 84 9.665 1.369 4.100 1.00 0.00 C ATOM 916 C LYS A 84 8.738 0.738 5.134 1.00 0.00 C ATOM 917 O LYS A 84 7.518 0.851 5.042 1.00 0.00 O ATOM 918 CB LYS A 84 10.150 0.293 3.125 1.00 0.00 C ATOM 919 CG LYS A 84 11.072 0.819 2.036 1.00 0.00 C ATOM 920 CD LYS A 84 11.665 -0.316 1.217 1.00 0.00 C ATOM 921 CE LYS A 84 12.558 0.209 0.103 1.00 0.00 C ATOM 922 NZ LYS A 84 13.163 -0.897 -0.689 1.00 0.00 N ATOM 0 H LYS A 84 11.711 1.638 4.457 1.00 0.00 H new ATOM 0 HA LYS A 84 9.112 2.133 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.671 -0.483 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.284 -0.178 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.518 1.492 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.875 1.403 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.242 -0.973 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.862 -0.916 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.976 0.852 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.349 0.824 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.764 -0.499 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.739 -1.496 -0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.408 -1.469 -1.119 1.00 0.00 H new ATOM 936 N LEU A 85 9.335 0.066 6.113 1.00 0.00 N ATOM 937 CA LEU A 85 8.589 -0.604 7.169 1.00 0.00 C ATOM 938 C LEU A 85 7.594 0.333 7.852 1.00 0.00 C ATOM 939 O LEU A 85 6.499 -0.084 8.229 1.00 0.00 O ATOM 940 CB LEU A 85 9.562 -1.167 8.204 1.00 0.00 C ATOM 941 CG LEU A 85 10.569 -2.184 7.660 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.553 -2.592 8.746 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.848 -3.404 7.109 1.00 0.00 C ATOM 0 H LEU A 85 10.347 -0.029 6.196 1.00 0.00 H new ATOM 0 HA LEU A 85 8.018 -1.412 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.111 -0.339 8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.988 -1.638 9.002 1.00 0.00 H new ATOM 0 HG LEU A 85 11.126 -1.717 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.261 -3.315 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.093 -1.712 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.011 -3.041 9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.579 -4.117 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.266 -3.872 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.182 -3.099 6.302 1.00 0.00 H new ATOM 955 N GLU A 86 7.982 1.591 8.022 1.00 0.00 N ATOM 956 CA GLU A 86 7.121 2.571 8.676 1.00 0.00 C ATOM 957 C GLU A 86 5.920 2.917 7.804 1.00 0.00 C ATOM 958 O GLU A 86 4.779 2.880 8.263 1.00 0.00 O ATOM 959 CB GLU A 86 7.910 3.839 9.012 1.00 0.00 C ATOM 960 CG GLU A 86 7.106 4.862 9.793 1.00 0.00 C ATOM 961 CD GLU A 86 7.925 6.079 10.184 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.953 5.906 10.870 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.533 7.203 9.808 1.00 0.00 O ATOM 0 H GLU A 86 8.884 1.957 7.717 1.00 0.00 H new ATOM 0 HA GLU A 86 6.754 2.127 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.794 3.566 9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.262 4.295 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.253 5.181 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.707 4.394 10.693 1.00 0.00 H new ATOM 970 N ASN A 87 6.183 3.250 6.544 1.00 0.00 N ATOM 971 CA ASN A 87 5.127 3.599 5.612 1.00 0.00 C ATOM 972 C ASN A 87 4.168 2.430 5.419 1.00 0.00 C ATOM 973 O ASN A 87 2.955 2.619 5.333 1.00 0.00 O ATOM 974 CB ASN A 87 5.732 4.006 4.273 1.00 0.00 C ATOM 975 CG ASN A 87 6.674 5.188 4.397 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.279 6.267 4.839 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.926 4.989 4.004 1.00 0.00 N ATOM 0 H ASN A 87 7.122 3.284 6.148 1.00 0.00 H new ATOM 0 HA ASN A 87 4.566 4.438 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.271 3.159 3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.931 4.255 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.605 5.748 4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.209 4.077 3.644 1.00 0.00 H new ATOM 984 N ILE A 88 4.721 1.223 5.355 1.00 0.00 N ATOM 985 CA ILE A 88 3.910 0.024 5.174 1.00 0.00 C ATOM 986 C ILE A 88 3.009 -0.206 6.382 1.00 0.00 C ATOM 987 O ILE A 88 1.836 -0.551 6.237 1.00 0.00 O ATOM 988 CB ILE A 88 4.783 -1.226 4.949 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.666 -1.040 3.712 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.908 -2.464 4.803 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.571 -2.221 3.426 1.00 0.00 C ATOM 0 H ILE A 88 5.724 1.049 5.425 1.00 0.00 H new ATOM 0 HA ILE A 88 3.298 0.185 4.287 1.00 0.00 H new ATOM 0 HB ILE A 88 5.429 -1.363 5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.029 -0.863 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.278 -0.148 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.539 -3.339 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.318 -2.601 5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.240 -2.339 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.166 -2.016 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.234 -2.386 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.965 -3.112 3.261 1.00 0.00 H new ATOM 1003 N GLY A 89 3.567 -0.013 7.572 1.00 0.00 N ATOM 1004 CA GLY A 89 2.801 -0.202 8.790 1.00 0.00 C ATOM 1005 C GLY A 89 1.604 0.722 8.869 1.00 0.00 C ATOM 1006 O GLY A 89 0.502 0.290 9.200 1.00 0.00 O ATOM 0 H GLY A 89 4.536 0.271 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.462 -1.236 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.446 -0.031 9.652 1.00 0.00 H new ATOM 1010 N ASN A 90 1.821 1.998 8.565 1.00 0.00 N ATOM 1011 CA ASN A 90 0.750 2.990 8.604 1.00 0.00 C ATOM 1012 C ASN A 90 -0.283 2.725 7.513 1.00 0.00 C ATOM 1013 O ASN A 90 -1.484 2.857 7.741 1.00 0.00 O ATOM 1014 CB ASN A 90 1.321 4.400 8.442 1.00 0.00 C ATOM 1015 CG ASN A 90 2.314 4.754 9.528 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.518 5.131 9.124 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 1.998 4.699 10.717 1.00 0.00 N flip ATOM 0 H ASN A 90 2.729 2.370 8.289 1.00 0.00 H new ATOM 0 HA ASN A 90 0.259 2.911 9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.807 4.482 7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.505 5.122 8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.059 4.403 10.982 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.676 4.950 11.437 1.00 0.00 H new ATOM 1024 N PHE A 91 0.194 2.362 6.326 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.688 2.088 5.195 1.00 0.00 C ATOM 1026 C PHE A 91 -1.672 0.969 5.520 1.00 0.00 C ATOM 1027 O PHE A 91 -2.882 1.126 5.355 1.00 0.00 O ATOM 1028 CB PHE A 91 0.139 1.712 3.961 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.690 1.352 2.760 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.732 2.169 2.347 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.427 0.194 2.045 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.495 1.837 1.244 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.187 -0.142 0.941 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.222 0.681 0.539 1.00 0.00 C ATOM 0 H PHE A 91 1.187 2.251 6.122 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.258 2.993 4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.790 2.547 3.704 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.784 0.870 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.949 3.075 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.381 -0.453 2.354 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.304 2.481 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.972 -1.047 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.816 0.421 -0.325 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.145 -0.160 5.980 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.976 -1.308 6.325 1.00 0.00 C ATOM 1046 C LEU A 92 -2.821 -1.027 7.560 1.00 0.00 C ATOM 1047 O LEU A 92 -4.000 -1.362 7.599 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.102 -2.538 6.548 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.347 -3.007 5.307 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.646 -4.100 5.666 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.322 -3.495 4.248 1.00 0.00 C ATOM 0 H LEU A 92 -0.146 -0.305 6.123 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.654 -1.499 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.381 -2.319 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.729 -3.354 6.907 1.00 0.00 H new ATOM 0 HG LEU A 92 0.209 -2.162 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.174 -4.421 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.363 -3.716 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.114 -4.948 6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.769 -3.826 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.904 -4.327 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.993 -2.683 3.969 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.215 -0.405 8.562 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.926 -0.076 9.789 1.00 0.00 C ATOM 1065 C ARG A 93 -4.116 0.826 9.483 1.00 0.00 C ATOM 1066 O ARG A 93 -5.186 0.689 10.075 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.988 0.617 10.778 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.653 1.014 12.079 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.686 1.753 12.977 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.522 0.940 13.320 1.00 0.00 N ATOM 1071 CZ ARG A 93 0.470 1.363 14.096 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.441 2.586 14.608 1.00 0.00 N ATOM 1073 NH2 ARG A 93 1.494 0.563 14.360 1.00 0.00 N ATOM 0 H ARG A 93 -1.236 -0.119 8.549 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.289 -1.001 10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.152 -0.047 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.573 1.508 10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.518 1.645 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.022 0.124 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.356 2.666 12.480 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.199 2.055 13.890 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.468 -0.006 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.344 3.205 14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.204 2.908 15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.521 -0.378 13.967 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.255 0.889 14.956 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.910 1.751 8.553 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.951 2.689 8.156 1.00 0.00 C ATOM 1089 C ALA A 94 -6.084 1.991 7.410 1.00 0.00 C ATOM 1090 O ALA A 94 -7.254 2.248 7.677 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.361 3.798 7.298 1.00 0.00 C ATOM 0 H ALA A 94 -3.026 1.871 8.058 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.370 3.123 9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.150 4.492 7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.599 4.331 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.911 3.366 6.404 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.734 1.120 6.463 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.738 0.406 5.675 1.00 0.00 C ATOM 1099 C ILE A 95 -7.466 -0.648 6.509 1.00 0.00 C ATOM 1100 O ILE A 95 -8.681 -0.811 6.392 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.127 -0.259 4.423 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.166 -1.389 4.811 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.411 0.782 3.574 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.591 -2.128 3.623 1.00 0.00 C ATOM 0 H ILE A 95 -4.769 0.893 6.224 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.458 1.157 5.350 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.937 -0.695 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.349 -0.974 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.691 -2.098 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.984 0.302 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.121 1.548 3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.615 1.243 4.158 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.920 -2.913 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.401 -2.573 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.037 -1.431 2.994 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.722 -1.356 7.353 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.298 -2.384 8.208 1.00 0.00 C ATOM 1118 C LYS A 96 -8.341 -1.779 9.140 1.00 0.00 C ATOM 1119 O LYS A 96 -9.415 -2.344 9.343 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.198 -3.075 9.021 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.276 -3.958 8.193 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.244 -4.668 9.059 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.900 -5.570 10.092 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.896 -6.267 10.942 1.00 0.00 N ATOM 0 H LYS A 96 -5.715 -1.235 7.462 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.786 -3.126 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.600 -2.315 9.524 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.662 -3.681 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.868 -4.697 7.654 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.767 -3.351 7.445 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.584 -5.261 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.622 -3.929 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.561 -4.977 10.724 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.522 -6.309 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.385 -6.871 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.281 -6.854 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.319 -5.563 11.446 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.013 -0.617 9.693 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.912 0.090 10.597 1.00 0.00 C ATOM 1140 C HIS A 97 -9.987 0.821 9.806 1.00 0.00 C ATOM 1141 O HIS A 97 -11.135 0.924 10.238 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.128 1.086 11.451 1.00 0.00 C ATOM 1143 CG HIS A 97 -8.966 1.793 12.470 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.655 1.135 13.466 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.224 3.111 12.645 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.301 2.016 14.209 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.056 3.222 13.732 1.00 0.00 N ATOM 0 H HIS A 97 -7.125 -0.142 9.530 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.389 -0.639 11.252 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.321 0.559 11.959 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.664 1.825 10.798 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.846 3.923 12.042 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -10.924 1.788 15.062 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.425 4.095 14.109 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.595 1.328 8.642 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.508 2.060 7.770 1.00 0.00 C ATOM 1158 C TYR A 98 -11.779 1.258 7.521 1.00 0.00 C ATOM 1159 O TYR A 98 -12.884 1.798 7.564 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.826 2.377 6.436 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.699 3.141 5.465 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.207 4.394 5.789 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -11.016 2.605 4.224 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -12.007 5.089 4.902 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.814 3.294 3.332 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.307 4.535 3.675 1.00 0.00 C ATOM 1167 OH TYR A 98 -13.104 5.224 2.789 1.00 0.00 O ATOM 0 H TYR A 98 -8.646 1.245 8.279 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.777 2.992 8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.923 2.956 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.512 1.443 5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.973 4.831 6.749 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.632 1.633 3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.395 6.061 5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.051 2.863 2.371 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.217 4.695 1.972 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.615 -0.035 7.261 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.762 -0.886 7.009 1.00 0.00 C ATOM 1179 C GLY A 99 -12.382 -2.235 6.431 1.00 0.00 C ATOM 1180 O GLY A 99 -12.946 -3.260 6.814 1.00 0.00 O ATOM 0 H GLY A 99 -10.712 -0.507 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.308 -1.037 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.439 -0.380 6.321 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.433 -2.235 5.499 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.991 -3.471 4.862 1.00 0.00 C ATOM 1186 C VAL A 100 -10.526 -4.487 5.900 1.00 0.00 C ATOM 1187 O VAL A 100 -9.695 -4.182 6.756 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.848 -3.212 3.860 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.528 -4.480 3.083 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.217 -2.084 2.909 1.00 0.00 C ATOM 0 H VAL A 100 -10.957 -1.395 5.169 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.849 -3.874 4.323 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.960 -2.914 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.719 -4.281 2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.222 -5.264 3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.413 -4.805 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.398 -1.916 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.117 -2.354 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.401 -1.173 3.479 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.073 -5.696 5.818 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.724 -6.765 6.747 1.00 0.00 C ATOM 1202 C LYS A 101 -9.289 -7.241 6.529 1.00 0.00 C ATOM 1203 O LYS A 101 -8.820 -7.322 5.395 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.692 -7.939 6.593 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.143 -7.571 6.860 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.065 -8.772 6.709 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.743 -9.860 7.721 1.00 0.00 C ATOM 1208 NZ LYS A 101 -14.646 -11.035 7.581 1.00 0.00 N ATOM 0 H LYS A 101 -11.763 -5.960 5.114 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.801 -6.367 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.607 -8.339 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.396 -8.735 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.236 -7.165 7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.452 -6.786 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.100 -8.454 6.834 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.975 -9.175 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.709 -10.180 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.829 -9.455 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.393 -11.754 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.631 -10.735 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.546 -11.438 6.628 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.571 -7.566 7.622 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.185 -8.039 7.546 1.00 0.00 C ATOM 1224 C PRO A 102 -7.039 -9.244 6.622 1.00 0.00 C ATOM 1225 O PRO A 102 -6.048 -9.373 5.903 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.857 -8.431 8.989 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.807 -7.649 9.827 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.057 -7.499 9.012 1.00 0.00 C ATOM 0 HA PRO A 102 -6.518 -7.279 7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.983 -9.502 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.823 -8.192 9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.013 -8.164 10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.390 -6.675 10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.773 -8.292 9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.559 -6.553 9.217 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.036 -10.124 6.649 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.031 -11.324 5.817 1.00 0.00 C ATOM 1238 C HIS A 103 -7.858 -10.966 4.343 1.00 0.00 C ATOM 1239 O HIS A 103 -7.337 -11.760 3.559 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.328 -12.109 6.012 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.554 -12.552 7.425 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.683 -13.380 8.103 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.560 -12.279 8.289 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.143 -13.595 9.323 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -10.280 -12.938 9.461 1.00 0.00 N ATOM 0 H HIS A 103 -8.861 -10.028 7.241 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.188 -11.943 6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.168 -11.491 5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.314 -12.985 5.363 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.422 -11.659 8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.670 -14.204 10.079 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.857 -12.922 10.302 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.291 -9.765 3.978 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.182 -9.291 2.608 1.00 0.00 C ATOM 1256 C ASP A 104 -7.150 -8.179 2.533 1.00 0.00 C ATOM 1257 O ASP A 104 -7.317 -7.200 1.805 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.538 -8.785 2.113 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.586 -9.881 2.067 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.258 -11.034 2.417 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.736 -9.585 1.680 1.00 0.00 O ATOM 0 H ASP A 104 -8.723 -9.099 4.618 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.866 -10.116 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.884 -7.984 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.421 -8.357 1.118 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.089 -8.338 3.313 1.00 0.00 N ATOM 1267 CA ILE A 105 -5.022 -7.354 3.372 1.00 0.00 C ATOM 1268 C ILE A 105 -3.675 -8.017 3.638 1.00 0.00 C ATOM 1269 O ILE A 105 -3.538 -8.815 4.565 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.297 -6.324 4.486 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.540 -5.495 4.157 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.092 -5.426 4.691 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.892 -4.476 5.221 1.00 0.00 C ATOM 0 H ILE A 105 -5.946 -9.147 3.917 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.989 -6.852 2.405 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.483 -6.863 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.381 -4.979 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.387 -6.167 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.305 -4.706 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.231 -6.031 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.873 -4.894 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.783 -3.927 4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.084 -4.987 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.063 -3.780 5.347 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.679 -7.674 2.825 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.343 -8.231 2.984 1.00 0.00 C ATOM 1287 C PHE A 106 -0.651 -7.627 4.196 1.00 0.00 C ATOM 1288 O PHE A 106 -0.823 -6.448 4.497 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.502 -8.002 1.724 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.335 -6.555 1.343 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.568 -5.745 2.014 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.081 -6.007 0.312 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.722 -4.416 1.664 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.932 -4.680 -0.041 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.028 -3.883 0.635 1.00 0.00 C ATOM 0 H PHE A 106 -2.773 -7.015 2.052 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.443 -9.305 3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.484 -8.442 1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.964 -8.533 0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.158 -6.157 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.788 -6.625 -0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.429 -3.796 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.522 -4.265 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.091 -2.846 0.359 1.00 0.00 H new ATOM 1305 N GLU A 107 0.124 -8.444 4.891 1.00 0.00 N ATOM 1306 CA GLU A 107 0.839 -7.985 6.073 1.00 0.00 C ATOM 1307 C GLU A 107 2.154 -7.317 5.698 1.00 0.00 C ATOM 1308 O GLU A 107 2.776 -7.666 4.694 1.00 0.00 O ATOM 1309 CB GLU A 107 1.088 -9.134 7.041 1.00 0.00 C ATOM 1310 CG GLU A 107 -0.170 -9.618 7.735 1.00 0.00 C ATOM 1311 CD GLU A 107 -1.026 -10.523 6.869 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -1.540 -10.050 5.834 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -1.180 -11.710 7.225 1.00 0.00 O ATOM 0 H GLU A 107 0.274 -9.426 4.659 1.00 0.00 H new ATOM 0 HA GLU A 107 0.210 -7.245 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.538 -9.966 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.810 -8.816 7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.108 -10.153 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.762 -8.755 8.042 1.00 0.00 H new ATOM 1320 N ALA A 108 2.571 -6.354 6.515 1.00 0.00 N ATOM 1321 CA ALA A 108 3.811 -5.629 6.279 1.00 0.00 C ATOM 1322 C ALA A 108 4.967 -6.588 6.021 1.00 0.00 C ATOM 1323 O ALA A 108 5.827 -6.326 5.181 1.00 0.00 O ATOM 1324 CB ALA A 108 4.127 -4.727 7.463 1.00 0.00 C ATOM 0 H ALA A 108 2.064 -6.058 7.349 1.00 0.00 H new ATOM 0 HA ALA A 108 3.679 -5.013 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.057 -4.191 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.317 -4.011 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.234 -5.332 8.363 1.00 0.00 H new ATOM 1330 N ASN A 109 4.982 -7.701 6.749 1.00 0.00 N ATOM 1331 CA ASN A 109 6.028 -8.697 6.599 1.00 0.00 C ATOM 1332 C ASN A 109 5.934 -9.398 5.247 1.00 0.00 C ATOM 1333 O ASN A 109 6.949 -9.690 4.617 1.00 0.00 O ATOM 1334 CB ASN A 109 5.932 -9.722 7.724 1.00 0.00 C ATOM 1335 CG ASN A 109 6.116 -9.098 9.093 1.00 0.00 C ATOM 1336 OD1 ASN A 109 7.156 -8.507 9.384 1.00 0.00 O ATOM 1337 ND2 ASN A 109 5.105 -9.229 9.944 1.00 0.00 N ATOM 0 H ASN A 109 4.278 -7.932 7.450 1.00 0.00 H new ATOM 0 HA ASN A 109 6.991 -8.189 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 109 4.961 -10.215 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.688 -10.493 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 109 5.172 -8.832 10.881 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.261 -9.727 9.661 1.00 0.00 H new ATOM 1344 N ASP A 110 4.708 -9.673 4.811 1.00 0.00 N ATOM 1345 CA ASP A 110 4.483 -10.349 3.537 1.00 0.00 C ATOM 1346 C ASP A 110 5.030 -9.530 2.370 1.00 0.00 C ATOM 1347 O ASP A 110 5.741 -10.054 1.514 1.00 0.00 O ATOM 1348 CB ASP A 110 2.989 -10.611 3.333 1.00 0.00 C ATOM 1349 CG ASP A 110 2.400 -11.493 4.417 1.00 0.00 C ATOM 1350 OD1 ASP A 110 3.153 -11.904 5.325 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.185 -11.774 4.356 1.00 0.00 O ATOM 0 H ASP A 110 3.856 -9.439 5.320 1.00 0.00 H new ATOM 0 HA ASP A 110 5.015 -11.300 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.456 -9.660 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.835 -11.082 2.362 1.00 0.00 H new ATOM 1356 N LEU A 111 4.690 -8.245 2.341 1.00 0.00 N ATOM 1357 CA LEU A 111 5.143 -7.357 1.274 1.00 0.00 C ATOM 1358 C LEU A 111 6.640 -7.074 1.386 1.00 0.00 C ATOM 1359 O LEU A 111 7.368 -7.135 0.394 1.00 0.00 O ATOM 1360 CB LEU A 111 4.358 -6.044 1.308 1.00 0.00 C ATOM 1361 CG LEU A 111 4.752 -5.019 0.238 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.515 -5.581 -1.156 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.974 -3.726 0.429 1.00 0.00 C ATOM 0 H LEU A 111 4.103 -7.795 3.043 1.00 0.00 H new ATOM 0 HA LEU A 111 4.963 -7.858 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.297 -6.271 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.486 -5.588 2.290 1.00 0.00 H new ATOM 0 HG LEU A 111 5.815 -4.803 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.801 -4.838 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.115 -6.481 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.460 -5.827 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.266 -3.009 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.906 -3.929 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.192 -3.312 1.413 1.00 0.00 H new ATOM 1375 N PHE A 112 7.092 -6.755 2.596 1.00 0.00 N ATOM 1376 CA PHE A 112 8.502 -6.453 2.832 1.00 0.00 C ATOM 1377 C PHE A 112 9.390 -7.635 2.454 1.00 0.00 C ATOM 1378 O PHE A 112 10.317 -7.496 1.657 1.00 0.00 O ATOM 1379 CB PHE A 112 8.729 -6.087 4.301 1.00 0.00 C ATOM 1380 CG PHE A 112 10.157 -5.748 4.625 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.834 -4.772 3.910 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.822 -6.404 5.649 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.147 -4.459 4.209 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.134 -6.096 5.952 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.798 -5.123 5.232 1.00 0.00 C ATOM 0 H PHE A 112 6.504 -6.699 3.427 1.00 0.00 H new ATOM 0 HA PHE A 112 8.770 -5.604 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.096 -5.237 4.557 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.412 -6.921 4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.330 -4.250 3.110 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.308 -7.165 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.663 -3.697 3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.640 -6.616 6.752 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.824 -4.881 5.467 1.00 0.00 H new ATOM 1395 N GLU A 113 9.096 -8.799 3.026 1.00 0.00 N ATOM 1396 CA GLU A 113 9.865 -10.002 2.741 1.00 0.00 C ATOM 1397 C GLU A 113 9.538 -10.526 1.350 1.00 0.00 C ATOM 1398 O GLU A 113 10.249 -11.373 0.808 1.00 0.00 O ATOM 1399 CB GLU A 113 9.580 -11.078 3.788 1.00 0.00 C ATOM 1400 CG GLU A 113 9.994 -10.678 5.195 1.00 0.00 C ATOM 1401 CD GLU A 113 11.489 -10.457 5.333 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.219 -10.666 4.340 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.933 -10.081 6.438 1.00 0.00 O ATOM 0 H GLU A 113 8.332 -8.933 3.688 1.00 0.00 H new ATOM 0 HA GLU A 113 10.925 -9.749 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.514 -11.306 3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.104 -11.993 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.470 -9.765 5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.681 -11.453 5.894 1.00 0.00 H new ATOM 1410 N ASN A 114 8.445 -10.017 0.787 1.00 0.00 N ATOM 1411 CA ASN A 114 7.995 -10.427 -0.535 1.00 0.00 C ATOM 1412 C ASN A 114 7.654 -11.913 -0.531 1.00 0.00 C ATOM 1413 O ASN A 114 7.802 -12.603 -1.541 1.00 0.00 O ATOM 1414 CB ASN A 114 9.071 -10.128 -1.585 1.00 0.00 C ATOM 1415 CG ASN A 114 8.582 -10.315 -3.013 1.00 0.00 C ATOM 1416 OD1 ASN A 114 7.295 -10.606 -3.176 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 9.355 -10.189 -3.962 1.00 0.00 N flip ATOM 0 H ASN A 114 7.853 -9.315 1.232 1.00 0.00 H new ATOM 0 HA ASN A 114 7.100 -9.861 -0.792 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.419 -9.103 -1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.928 -10.779 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.336 -9.965 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.015 -10.308 -4.916 1.00 0.00 H new ATOM 1424 N THR A 115 7.193 -12.398 0.618 1.00 0.00 N ATOM 1425 CA THR A 115 6.825 -13.802 0.760 1.00 0.00 C ATOM 1426 C THR A 115 5.490 -14.087 0.082 1.00 0.00 C ATOM 1427 O THR A 115 5.396 -14.955 -0.786 1.00 0.00 O ATOM 1428 CB THR A 115 6.736 -14.215 2.240 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.779 -13.396 2.923 1.00 0.00 O ATOM 1430 CG2 THR A 115 8.092 -14.090 2.919 1.00 0.00 C ATOM 0 H THR A 115 7.066 -11.840 1.463 1.00 0.00 H new ATOM 0 HA THR A 115 7.609 -14.386 0.277 1.00 0.00 H new ATOM 0 HB THR A 115 6.418 -15.257 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.897 -13.822 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.004 -14.387 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.811 -14.737 2.417 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.433 -13.056 2.863 1.00 0.00 H new ATOM 1438 N ASN A 116 4.459 -13.347 0.482 1.00 0.00 N ATOM 1439 CA ASN A 116 3.130 -13.518 -0.091 1.00 0.00 C ATOM 1440 C ASN A 116 2.968 -12.676 -1.353 1.00 0.00 C ATOM 1441 O ASN A 116 3.114 -11.455 -1.318 1.00 0.00 O ATOM 1442 CB ASN A 116 2.057 -13.137 0.933 1.00 0.00 C ATOM 1443 CG ASN A 116 2.102 -14.010 2.171 1.00 0.00 C ATOM 1444 OD1 ASN A 116 3.110 -14.057 2.876 1.00 0.00 O ATOM 1445 ND2 ASN A 116 1.006 -14.709 2.443 1.00 0.00 N ATOM 0 H ASN A 116 4.520 -12.625 1.200 1.00 0.00 H new ATOM 0 HA ASN A 116 3.010 -14.568 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.189 -12.094 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.073 -13.217 0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.978 -15.314 3.263 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.192 -14.640 1.832 1.00 0.00 H new ATOM 1452 N HIS A 117 2.656 -13.336 -2.465 1.00 0.00 N ATOM 1453 CA HIS A 117 2.465 -12.645 -3.734 1.00 0.00 C ATOM 1454 C HIS A 117 0.980 -12.500 -4.045 1.00 0.00 C ATOM 1455 O HIS A 117 0.508 -11.419 -4.394 1.00 0.00 O ATOM 1456 CB HIS A 117 3.163 -13.399 -4.870 1.00 0.00 C ATOM 1457 CG HIS A 117 4.641 -13.558 -4.677 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.450 -14.217 -5.580 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.459 -13.141 -3.679 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.697 -14.199 -5.146 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.730 -13.552 -3.997 1.00 0.00 N ATOM 0 H HIS A 117 2.530 -14.347 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 117 2.907 -11.652 -3.648 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.711 -14.386 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.984 -12.871 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.166 -12.589 -2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.546 -14.640 -5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.565 -13.384 -3.435 1.00 0.00 H new ATOM 1470 N THR A 118 0.249 -13.603 -3.909 1.00 0.00 N ATOM 1471 CA THR A 118 -1.185 -13.609 -4.167 1.00 0.00 C ATOM 1472 C THR A 118 -1.925 -12.730 -3.165 1.00 0.00 C ATOM 1473 O THR A 118 -2.878 -12.037 -3.517 1.00 0.00 O ATOM 1474 CB THR A 118 -1.760 -15.037 -4.107 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.094 -15.874 -5.061 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.256 -15.035 -4.388 1.00 0.00 C ATOM 0 H THR A 118 0.628 -14.505 -3.621 1.00 0.00 H new ATOM 0 HA THR A 118 -1.329 -13.211 -5.171 1.00 0.00 H new ATOM 0 HB THR A 118 -1.596 -15.426 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.464 -16.780 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.637 -16.055 -4.340 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.765 -14.422 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.439 -14.626 -5.382 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.480 -12.768 -1.912 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.097 -11.980 -0.853 1.00 0.00 C ATOM 1486 C GLN A 119 -1.997 -10.485 -1.146 1.00 0.00 C ATOM 1487 O GLN A 119 -2.971 -9.748 -0.998 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.433 -12.296 0.487 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.025 -11.532 1.658 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.498 -11.823 1.861 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -3.891 -12.966 2.095 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.324 -10.787 1.772 1.00 0.00 N ATOM 0 H GLN A 119 -0.692 -13.339 -1.606 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.153 -12.245 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.519 -13.365 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.369 -12.069 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.480 -11.788 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -1.889 -10.463 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.955 -9.856 1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.327 -10.922 1.899 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.812 -10.041 -1.559 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.589 -8.633 -1.866 1.00 0.00 C ATOM 1503 C VAL A 120 -1.470 -8.169 -3.025 1.00 0.00 C ATOM 1504 O VAL A 120 -2.116 -7.125 -2.946 1.00 0.00 O ATOM 1505 CB VAL A 120 0.889 -8.359 -2.212 1.00 0.00 C ATOM 1506 CG1 VAL A 120 1.078 -6.925 -2.687 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.783 -8.652 -1.017 1.00 0.00 C ATOM 0 H VAL A 120 0.006 -10.636 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.854 -8.071 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 120 1.176 -9.025 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 120 2.128 -6.756 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.472 -6.754 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.769 -6.237 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.821 -8.452 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.493 -8.016 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.676 -9.698 -0.731 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.485 -8.950 -4.102 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.271 -8.628 -5.274 1.00 0.00 C ATOM 1519 C GLN A 121 -3.766 -8.633 -4.961 1.00 0.00 C ATOM 1520 O GLN A 121 -4.501 -7.740 -5.383 1.00 0.00 O ATOM 1521 CB GLN A 121 -1.959 -9.636 -6.374 1.00 0.00 C ATOM 1522 CG GLN A 121 -2.725 -9.378 -7.645 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.396 -10.370 -8.743 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.247 -10.478 -9.173 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -3.405 -11.099 -9.205 1.00 0.00 N ATOM 0 H GLN A 121 -0.954 -9.817 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.009 -7.623 -5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -0.891 -9.611 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.189 -10.639 -6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -3.794 -9.418 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.507 -8.369 -7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -4.341 -10.976 -8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -3.244 -11.782 -9.946 1.00 0.00 H new ATOM 1534 N SER A 122 -4.207 -9.647 -4.226 1.00 0.00 N ATOM 1535 CA SER A 122 -5.614 -9.779 -3.860 1.00 0.00 C ATOM 1536 C SER A 122 -6.084 -8.587 -3.031 1.00 0.00 C ATOM 1537 O SER A 122 -7.211 -8.118 -3.190 1.00 0.00 O ATOM 1538 CB SER A 122 -5.842 -11.077 -3.082 1.00 0.00 C ATOM 1539 OG SER A 122 -5.077 -11.099 -1.890 1.00 0.00 O ATOM 0 H SER A 122 -3.609 -10.393 -3.870 1.00 0.00 H new ATOM 0 HA SER A 122 -6.197 -9.806 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.900 -11.179 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.574 -11.930 -3.705 1.00 0.00 H new ATOM 0 HG SER A 122 -4.325 -10.476 -1.972 1.00 0.00 H new ATOM 1545 N THR A 123 -5.216 -8.107 -2.144 1.00 0.00 N ATOM 1546 CA THR A 123 -5.547 -6.974 -1.287 1.00 0.00 C ATOM 1547 C THR A 123 -6.042 -5.788 -2.108 1.00 0.00 C ATOM 1548 O THR A 123 -7.043 -5.160 -1.763 1.00 0.00 O ATOM 1549 CB THR A 123 -4.333 -6.532 -0.448 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.881 -7.618 0.368 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.687 -5.345 0.436 1.00 0.00 C ATOM 0 H THR A 123 -4.280 -8.485 -2.001 1.00 0.00 H new ATOM 0 HA THR A 123 -6.341 -7.305 -0.618 1.00 0.00 H new ATOM 0 HB THR A 123 -3.538 -6.233 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.467 -8.302 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.814 -5.052 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.005 -4.509 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.497 -5.623 1.111 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.340 -5.491 -3.197 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.716 -4.383 -4.067 1.00 0.00 C ATOM 1561 C LEU A 124 -7.118 -4.593 -4.631 1.00 0.00 C ATOM 1562 O LEU A 124 -7.901 -3.650 -4.743 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.710 -4.235 -5.212 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.284 -3.869 -4.789 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.388 -3.723 -6.009 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.279 -2.589 -3.966 1.00 0.00 C ATOM 0 H LEU A 124 -4.509 -6.001 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.711 -3.469 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.677 -5.172 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.075 -3.470 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 124 -2.893 -4.675 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.379 -3.463 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.364 -4.665 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.778 -2.937 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.257 -2.347 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.690 -1.773 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.886 -2.729 -3.072 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.424 -5.837 -4.985 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.728 -6.179 -5.541 1.00 0.00 C ATOM 1580 C ILE A 125 -9.849 -5.859 -4.555 1.00 0.00 C ATOM 1581 O ILE A 125 -10.861 -5.262 -4.924 1.00 0.00 O ATOM 1582 CB ILE A 125 -8.802 -7.676 -5.909 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -7.637 -8.064 -6.825 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.135 -7.995 -6.571 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -7.599 -7.299 -8.129 1.00 0.00 C ATOM 0 H ILE A 125 -6.785 -6.627 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.856 -5.578 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.724 -8.261 -4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.700 -7.901 -6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.699 -9.130 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.171 -9.055 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -10.948 -7.758 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.242 -7.401 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.746 -7.631 -8.721 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.519 -7.481 -8.684 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.504 -6.233 -7.923 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.663 -6.267 -3.303 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.658 -6.032 -2.262 1.00 0.00 C ATOM 1599 C ALA A 126 -10.834 -4.543 -1.977 1.00 0.00 C ATOM 1600 O ALA A 126 -11.958 -4.052 -1.867 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.270 -6.769 -0.990 1.00 0.00 C ATOM 0 H ALA A 126 -8.831 -6.763 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.613 -6.415 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.020 -6.586 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.211 -7.838 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.300 -6.412 -0.644 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.718 -3.831 -1.853 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.750 -2.398 -1.572 1.00 0.00 C ATOM 1609 C LEU A 127 -10.534 -1.646 -2.644 1.00 0.00 C ATOM 1610 O LEU A 127 -11.171 -0.632 -2.359 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.328 -1.840 -1.473 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.239 -0.360 -1.089 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.950 -0.104 0.232 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.787 0.083 -1.006 1.00 0.00 C ATOM 0 H LEU A 127 -8.780 -4.222 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.254 -2.255 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.775 -2.425 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.831 -1.982 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.735 0.225 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.875 0.953 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.000 -0.381 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.485 -0.700 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.743 1.137 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.268 -0.510 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.307 -0.061 -1.974 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.485 -2.147 -3.874 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.194 -1.518 -4.985 1.00 0.00 C ATOM 1628 C ALA A 128 -12.667 -1.316 -4.645 1.00 0.00 C ATOM 1629 O ALA A 128 -13.227 -0.245 -4.883 1.00 0.00 O ATOM 1630 CB ALA A 128 -11.052 -2.357 -6.245 1.00 0.00 C ATOM 0 H ALA A 128 -9.963 -2.986 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.749 -0.539 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.586 -1.876 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.997 -2.450 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.471 -3.348 -6.071 1.00 0.00 H new ATOM 1636 N SER A 129 -13.285 -2.349 -4.082 1.00 0.00 N ATOM 1637 CA SER A 129 -14.691 -2.286 -3.700 1.00 0.00 C ATOM 1638 C SER A 129 -14.916 -1.201 -2.651 1.00 0.00 C ATOM 1639 O SER A 129 -15.966 -0.560 -2.617 1.00 0.00 O ATOM 1640 CB SER A 129 -15.157 -3.639 -3.161 1.00 0.00 C ATOM 1641 OG SER A 129 -15.009 -4.657 -4.136 1.00 0.00 O ATOM 0 H SER A 129 -12.833 -3.241 -3.880 1.00 0.00 H new ATOM 0 HA SER A 129 -15.275 -2.039 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.582 -3.897 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.202 -3.572 -2.857 1.00 0.00 H new ATOM 0 HG SER A 129 -15.312 -5.512 -3.765 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.922 -1.010 -1.793 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.990 -0.020 -0.740 1.00 0.00 C ATOM 1649 C GLN A 130 -14.039 1.401 -1.302 1.00 0.00 C ATOM 1650 O GLN A 130 -14.910 2.190 -0.941 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.775 -0.188 0.152 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.647 0.849 1.235 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.662 0.676 2.343 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.869 0.739 2.116 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -13.172 0.454 3.554 1.00 0.00 N ATOM 0 H GLN A 130 -13.050 -1.539 -1.812 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.907 -0.171 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.813 -1.175 0.614 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -11.879 -0.160 -0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -11.644 0.802 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.762 1.840 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.163 0.410 3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -13.804 0.327 4.345 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.092 1.722 -2.178 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.023 3.054 -2.774 1.00 0.00 C ATOM 1666 C ALA A 131 -13.951 3.195 -3.979 1.00 0.00 C ATOM 1667 O ALA A 131 -13.590 3.825 -4.975 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.589 3.372 -3.172 1.00 0.00 C ATOM 0 H ALA A 131 -12.363 1.081 -2.491 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.359 3.768 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.547 4.367 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.951 3.341 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.241 2.636 -3.897 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.148 2.622 -3.887 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.113 2.710 -4.979 1.00 0.00 C ATOM 1676 C LYS A 132 -16.973 3.964 -4.857 1.00 0.00 C ATOM 1677 O LYS A 132 -17.036 4.775 -5.782 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.011 1.471 -5.012 1.00 0.00 C ATOM 1679 CG LYS A 132 -16.286 0.199 -5.422 1.00 0.00 C ATOM 1680 CD LYS A 132 -15.717 0.299 -6.830 1.00 0.00 C ATOM 1681 CE LYS A 132 -16.813 0.479 -7.868 1.00 0.00 C ATOM 1682 NZ LYS A 132 -16.261 0.576 -9.247 1.00 0.00 N ATOM 0 H LYS A 132 -15.471 2.096 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 132 -15.548 2.765 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -17.450 1.326 -4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.834 1.648 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -15.479 -0.002 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.974 -0.645 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -15.024 1.138 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -15.146 -0.601 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -17.507 -0.360 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -17.384 1.380 -7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -17.040 0.698 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -15.619 1.392 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -15.738 -0.294 -9.474 1.00 0.00 H new ATOM 1696 N THR A 133 -17.636 4.113 -3.712 1.00 0.00 N ATOM 1697 CA THR A 133 -18.498 5.266 -3.469 1.00 0.00 C ATOM 1698 C THR A 133 -19.146 5.189 -2.087 1.00 0.00 C ATOM 1699 O THR A 133 -20.349 5.409 -1.939 1.00 0.00 O ATOM 1700 CB THR A 133 -19.601 5.373 -4.543 1.00 0.00 C ATOM 1701 OG1 THR A 133 -20.468 6.477 -4.253 1.00 0.00 O ATOM 1702 CG2 THR A 133 -20.412 4.087 -4.618 1.00 0.00 C ATOM 0 H THR A 133 -17.592 3.449 -2.939 1.00 0.00 H new ATOM 0 HA THR A 133 -17.867 6.153 -3.517 1.00 0.00 H new ATOM 0 HB THR A 133 -19.121 5.537 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 133 -20.882 6.346 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 133 -21.183 4.187 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.754 3.256 -4.873 1.00 0.00 H new ATOM 0 HG23 THR A 133 -20.881 3.895 -3.653 1.00 0.00 H new ATOM 1710 N LYS A 134 -18.341 4.877 -1.078 1.00 0.00 N ATOM 1711 CA LYS A 134 -18.838 4.771 0.291 1.00 0.00 C ATOM 1712 C LYS A 134 -19.438 6.093 0.757 1.00 0.00 C ATOM 1713 O LYS A 134 -18.800 7.143 0.530 1.00 0.00 O ATOM 1714 CB LYS A 134 -17.709 4.350 1.235 1.00 0.00 C ATOM 1715 CG LYS A 134 -17.050 3.035 0.851 1.00 0.00 C ATOM 1716 CD LYS A 134 -18.033 1.876 0.893 1.00 0.00 C ATOM 1717 CE LYS A 134 -17.389 0.581 0.425 1.00 0.00 C ATOM 1718 NZ LYS A 134 -18.330 -0.569 0.506 1.00 0.00 N ATOM 1719 OXT LYS A 134 -20.540 6.068 1.344 1.00 0.00 O ATOM 0 H LYS A 134 -17.343 4.693 -1.180 1.00 0.00 H new ATOM 0 HA LYS A 134 -19.620 4.012 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -16.952 5.134 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -18.106 4.266 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.629 3.118 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.221 2.833 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -18.406 1.751 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -18.893 2.104 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -17.046 0.697 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -16.509 0.373 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -17.852 -1.432 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -18.638 -0.697 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -19.158 -0.383 -0.094 1.00 0.00 H new TER 1733 LYS A 134